| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.6 | Very low | 82.7 | Confident | 234 Ų | 234 | 50 Ų | 50 | 100% | 1.153 | 30% | 0.298 | S | S | * | . | 0 | 126.2 | 0 | -90.8 | 169.8 | 166.9 | 0 | 0 | 106.7 | |||||
| 2 | G | 50.3 | Low | 83.6 | Confident | 77 Ų | 77 | 48.1 Ų | 48.1 | 79% | 0.794 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 141.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | A4 | G2-A4 PolarHBondContact O-N 3.46Š|
| 3 | M | 66.3 | Low | 84.3 | Confident | 118 Ų | 118 | 44.8 Ų | 44.8 | 58% | 0.581 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 136.3 | 179.6 | -68.5 | -178 | 82.8 | 0 | 0 | 109.9 | N33 | M3-N33 WeakPolarHBondContact CE-OD1 3.35Å; M3-N33 PolarHBondContact SD-OD1 2.76Å |
| 4 | A | 84.5 | Confident | 84.8 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 143.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G2 I86 | G2-A4 PolarHBondContact O-N 3.46Å; A4-I86 HydrophobicContact CB-CD1 3.66Å; A4-I86 HydrophobicContact CB-CG1 4.31Å |
| 5 | T | 95 | Very high | 85 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | trans | -107.1 | 130.1 | 171.6 | -51.7 | 0 | 0 | 0 | 0 | 107.9 | F30 V31 R32 I37 C85 I86 | T5-F30 HydrophobicContact CG2-CB 4.34Å; T5-F30 HydrophobicContact CG2-CD1 4.3Å; T5-V31 WeakPolarHBondContact CA-O 3.49Å; T5-R32 VanDerWaalsContact OG1-CZ 3.25Å; T5-R32 PolarHBondContact OG1-NE 3.46Å; T5-R32 PolarHBondContact OG1-NH2 2.93Å; T5-I37 HydrophobicContact CG2-CD1 4.22Å; T5-C85 CarbonylContact O-C 3.57Å; T5-C85 VanDerWaalsContact O-CA 3.28Å; T5-C85 WeakPolarHBondContact O-CA 3.4Å; T5-C85 WeakPolarHBondContact O-CB 3.38Å; T5-I86 PolarHBondContact O-N 2.88Å | ||
| 6 | Y | 97.1 | Very high | 85.1 | Confident | 31 Ų | 31 | 45.3 Ų | 45.3 | 12% | 0.122 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 128.8 | 175.4 | -55.5 | -92.4 | 0 | 0 | 0 | 108.2 | F30 V31 I86 V88 I116 M162 F166 I194 | Y6-F30 CarbonylContact O-C 3.51Å; Y6-F30 VanDerWaalsContact O-CA 3.31Å; Y6-F30 WeakPolarHBondContact O-CA 3.45Å; Y6-V31 HydrophobicContact CD2-CB 4.36Å; Y6-V31 HydrophobicContact CD2-CG1 4.45Å; Y6-V31 WeakPolarHBondContact CD2-O 3.28Å; Y6-V31 PolarHBondContact N-O 3.1Å; Y6-V31 PolarHBondContact O-N 2.95Å; Y6-I86 HydrophobicContact CD1-CB 3.91Å; Y6-I86 HydrophobicContact CD1-CD1 4.11Å; Y6-I86 HydrophobicContact CD1-CG2 4.04Å; Y6-I86 HydrophobicContact CE1-CB 4.35Å; Y6-I86 HydrophobicContact CE1-CD1 3.71Å; Y6-I86 HydrophobicContact CE1-CG2 4.34Å; Y6-V88 HydrophobicContact CD1-CG2 3.8Å; Y6-V88 HydrophobicContact CG-CG2 4.35Å; Y6-I116 HydrophobicContact CD1-CD1 3.99Å; Y6-I116 HydrophobicContact CE1-CD1 3.7Å; Y6-M162 HydrophobicContact CD1-CE 4.47Å; Y6-M162 HydrophobicContact CD1-SD 4.44Å; Y6-M162 HydrophobicContact CD2-CE 4.35Å; Y6-M162 HydrophobicContact CG-CE 4.04Å; Y6-F166 AromaticContact CE1-CE2 3.96Å; Y6-F166 HydrophobicContact CE1-CE2 3.96Å; Y6-F166 HydrophobicContact CE1-CZ 4.16Å; Y6-F166 HydrophobicContact CE2-CE2 4.14Å; Y6-F166 AromaticContact CZ-CE2 3.72Å; Y6-I194 HydrophobicContact CE1-CD1 4.29Å |
| 7 | A | 98 | Very high | 85.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 99.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | V9 I28 F30 I82 C85 I86 V88 | A7-V9 HydrophobicContact CB-CG2 4.48Å; A7-I28 HydrophobicContact CB-CG2 4.1Å; A7-F30 HydrophobicContact CB-CD1 4.22Å; A7-F30 HydrophobicContact CB-CE1 3.97Å; A7-I82 HydrophobicContact CB-CB 4.3Å; A7-I82 HydrophobicContact CB-CG2 3.94Å; A7-C85 HydrophobicContact CB-CB 3.67Å; A7-I86 PolarHBondContact N-O 3.11Å; A7-V88 PolarHBondContact O-N 2.97Å |
| 8 | V | 97.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 113.8 | 174.9 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | I28 T29 V31 V88 A155 T158 A159 M162 | V8-I28 CarbonylContact O-C 3.55Å; V8-I28 VanDerWaalsContact O-CA 3.25Å; V8-I28 WeakPolarHBondContact O-CA 3.15Å; V8-T29 WeakPolarHBondContact CB-O 3.35Å; V8-T29 PolarHBondContact N-O 3.49Å; V8-T29 PolarHBondContact O-N 2.95Å; V8-V31 HydrophobicContact CG2-CG2 4.26Å; V8-V88 CarbonylContact C-O 3.25Å; V8-V88 WeakPolarHBondContact CA-O 3.08Å; V8-V88 HydrophobicContact CB-CB 4.5Å; V8-V88 HydrophobicContact CG1-CG1 4.48Å; V8-V88 HydrophobicContact CG2-CB 4.09Å; V8-V88 HydrophobicContact CG2-CG1 4.18Å; V8-A155 WeakPolarHBondContact CG1-O 3.45Å; V8-T158 HydrophobicContact CG1-CG2 3.57Å; V8-A159 HydrophobicContact CB-CB 4.18Å; V8-A159 HydrophobicContact CG1-CB 4.33Å; V8-A159 HydrophobicContact CG2-CB 3.9Å; V8-M162 HydrophobicContact CG2-CE 3.93Å; V8-M162 HydrophobicContact CG2-SD 4.32Å |
| 9 | V | 97.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 141.2 | -171.1 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | A7 L11 G27 I28 F87 V88 A89 D95 I99 | A7-V9 HydrophobicContact CB-CG2 4.48Å; V9-L11 HydrophobicContact CG1-CD2 4.2Å; V9-L11 HydrophobicContact CG1-CG 4.28Å; V9-G27 WeakPolarHBondContact CA-O 3.45Å; V9-I28 HydrophobicContact CG2-CG1 4.18Å; V9-I28 HydrophobicContact CG2-CG2 4.08Å; V9-F87 HydrophobicContact CB-CE2 4.01Å; V9-F87 HydrophobicContact CB-CZ 3.9Å; V9-F87 HydrophobicContact CG1-CE2 4.24Å; V9-F87 HydrophobicContact CG1-CZ 4.05Å; V9-F87 HydrophobicContact CG2-CD2 4.1Å; V9-F87 HydrophobicContact CG2-CE2 3.6Å; V9-F87 HydrophobicContact CG2-CZ 4.03Å; V9-V88 PolarHBondContact N-O 2.79Å; V9-A89 WeakPolarHBondContact O-CB 3.47Å; V9-D95 HydrophobicContact CG1-CB 4.48Å; V9-I99 HydrophobicContact CG1-CD1 3.53Å |
| 10 | D | 95.9 | Very high | 86 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144.2 | 168.8 | -170.6 | 85.2 | 0 | 0 | 0 | 108.8 | G27 D95 A151 D154 A155 | D10-G27 PolarHBondContact N-O 3.46Å; D10-G27 PolarHBondContact O-N 3.33Å; D10-D95 WeakPolarHBondContact CA-OD1 3.46Å; D10-A151 HydrophobicContact CB-CB 4.43Å; D10-A151 WeakPolarHBondContact CB-O 3.38Å; D10-A151 VanDerWaalsContact OD2-CA 3.24Å; D10-A151 WeakPolarHBondContact OD2-CA 3.3Å; D10-D154 HydrophobicContact CB-CB 4.47Å; D10-A155 HydrophobicContact CB-CB 3.92Å |
| 11 | L | 94.7 | Very high | 86.4 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.1 | -175.3 | -59.3 | 178.5 | 0 | 0 | 0 | 111.4 | V9 I23 Q25 I26 D95 F98 I99 | V9-L11 HydrophobicContact CG1-CD2 4.2Å; V9-L11 HydrophobicContact CG1-CG 4.28Å; L11-I23 HydrophobicContact CD1-CD1 4.07Å; L11-I23 HydrophobicContact CD1-CG1 4.35Å; L11-I23 HydrophobicContact CD2-CD1 4.41Å; L11-I23 HydrophobicContact CD2-CG2 4.12Å; L11-Q25 WeakPolarHBondContact CA-O 3.34Å; L11-I26 HydrophobicContact CD2-CB 3.8Å; L11-I26 HydrophobicContact CD2-CD1 3.88Å; L11-I26 HydrophobicContact CD2-CG1 3.61Å; L11-D95 HydrophobicContact CD1-CB 4.02Å; L11-D95 WeakPolarHBondContact CD1-O 3.42Å; L11-D95 HydrophobicContact CG-CB 4.22Å; L11-D95 PolarHBondContact N-OD1 3.44Å; L11-D95 VanDerWaalsContact N-OD1 3.09Å; L11-F98 HydrophobicContact CD1-CB 3.78Å; L11-I99 HydrophobicContact CD1-CD1 4.15Å; L11-I99 HydrophobicContact CD1-CG1 3.78Å; L11-I99 HydrophobicContact CD2-CD1 4.12Å; L11-I99 HydrophobicContact CD2-CG1 4.22Å; L11-I99 HydrophobicContact CG-CD1 4.47Å |
| 12 | E | 93.3 | Very high | 89.3 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 139.4 | 160.9 | -59.4 | -63.2 | 177.7 | 0 | 0 | 109.7 | I24 Q25 T58 I60 A151 | E12-I24 HydrophobicContact CB-CD1 4.37Å; E12-I24 HydrophobicContact CB-CG1 3.94Å; E12-I24 VanDerWaalsContact O-CG1 3.27Å; E12-I24 WeakPolarHBondContact O-CG1 3.46Å; E12-I24 PolarHBondContact O-N 3.12Å; E12-Q25 HydrophobicContact CB-CB 3.95Å; E12-Q25 HydrophobicContact CG-CB 4.29Å; E12-Q25 PolarHBondContact N-O 3.44Å; E12-Q25 PolarHBondContact O-N 3.1Å; E12-T58 HydrophobicContact CB-CG2 4.13Å; E12-T58 HydrophobicContact CG-CG2 4Å; E12-T58 WeakPolarHBondContact OE2-CG2 3.36Å; E12-I60 HydrophobicContact CB-CD1 4.04Å; E12-I60 HydrophobicContact CG-CD1 4.25Å; E12-A151 HydrophobicContact CG-CB 4.24Å |
| 13 | T | 93.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 163.4 | -175.7 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | G15 D22 I23 I54 F94 F98 | T13-G15 WeakPolarHBondContact CB-O 3.41Å; T13-G15 PolarHBondContact O-N 3.28Å; T13-G15 VanDerWaalsContact O-N 3.15Å; T13-G15 PolarHBondContact OG1-O 3.27Å; T13-D22 CarbonylContact C-O 3.5Å; T13-D22 WeakPolarHBondContact CA-O 3.23Å; T13-D22 WeakPolarHBondContact CB-O 3.27Å; T13-I23 HydrophobicContact CG2-CG1 4.36Å; T13-I54 WeakPolarHBondContact O-CG2 3.18Å; T13-F94 HydrophobicContact CG2-CE1 4.27Å; T13-F94 HydrophobicContact CG2-CZ 3.91Å; T13-F98 HydrophobicContact CG2-CD1 3.8Å; T13-F98 HydrophobicContact CG2-CD2 4.36Å; T13-F98 HydrophobicContact CG2-CE1 3.82Å; T13-F98 HydrophobicContact CG2-CE2 4.39Å; T13-F98 HydrophobicContact CG2-CG 4.07Å; T13-F98 HydrophobicContact CG2-CZ 4.12Å |
| 14 | T | 91.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -67.1 | -8.4 | 173.7 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | D21 D22 I24 T46 L48 I50 P51 | T14-D21 VanDerWaalsContact C-OD1 3.27Å; T14-D21 VanDerWaalsContact OG1-CA 3.24Å; T14-D21 WeakPolarHBondContact OG1-CA 3.49Å; T14-D21 VanDerWaalsContact OG1-CB 3.27Å; T14-D21 WeakPolarHBondContact OG1-CB 3.36Å; T14-D21 PolarHBondContact OG1-OD1 2.83Å; T14-D22 HydrophobicContact CG2-CB 4.49Å; T14-D22 PolarHBondContact N-O 3.2Å; T14-D22 PolarHBondContact OG1-N 2.88Å; T14-I24 HydrophobicContact CG2-CG2 3.53Å; T14-T46 HydrophobicContact CG2-CG2 3.92Å; T14-L48 HydrophobicContact CG2-CB 4.32Å; T14-L48 HydrophobicContact CG2-CD1 4.5Å; T14-I50 HydrophobicContact CG2-CG1 4.47Å; T14-P51 WeakPolarHBondContact O-CD 3.4Å |
| 15 | G | 87.8 | Confident | 93.3 | Very high | 10 Ų | 10 | 38 Ų | 38 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 167.8 | -174.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T13 D21 | T13-G15 WeakPolarHBondContact CB-O 3.41Å; T13-G15 PolarHBondContact O-N 3.28Å; T13-G15 VanDerWaalsContact O-N 3.15Å; T13-G15 PolarHBondContact OG1-O 3.27Å; G15-D21 WeakPolarHBondContact CA-OD1 3.5Å; G15-D21 WeakPolarHBondContact CA-OD2 3.42Å; G15-D21 VanDerWaalsContact N-CG 3.32Å; G15-D21 PolarHBondContact N-OD1 3.2Å; G15-D21 WeakPolarHBondContact O-CB 3.33Å |
| 16 | N | 85.9 | Confident | 93.4 | Very high | 130 Ų | 130 | 37.2 Ų | 37.2 | 70% | 0.695 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -99.2 | 3.2 | -171.2 | -64.7 | -6.2 | 0 | 0 | 0 | 114.1 | D21 | N16-D21 PolarHBondContact N-OD2 3.14Å; N16-D21 VanDerWaalsContact N-OD2 3.13Å |
| 17 | Q | 89.6 | Confident | 93.3 | Very high | 116 Ų | 116 | 35.7 Ų | 35.7 | 54% | 0.542 | 18% | 0.182 | S | C | . | . | trans | -94.7 | 107.6 | -176.2 | -60.3 | -170.8 | -33.9 | 0 | 0 | 110.8 | D19 F20 D21 | Q17-D19 PolarHBondContact O-N 2.96Å; Q17-F20 HydrophobicContact CB-CB 4.26Å; Q17-F20 HydrophobicContact CB-CD2 3.95Å; Q17-F20 PolarHBondContact O-N 3.28Å; Q17-D21 WeakPolarHBondContact CA-OD2 3.25Å; Q17-D21 WeakPolarHBondContact CB-OD2 3.29Å; Q17-D21 PolarHBondContact N-OD2 3.3Å; Q17-D21 WeakPolarHBondContact O-CB 3.36Å; Q17-D21 PolarHBondContact O-N 3.23Å | ||
| 18 | L | 89 | Confident | 93.3 | Very high | 61 Ų | 61 | 35.8 Ų | 35.8 | 32% | 0.319 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -37.8 | -176.8 | -174.8 | 64.3 | 0 | 0 | 0 | 113.4 | N97 F98 K101 | L18-N97 HydrophobicContact CD1-CB 4.23Å; L18-N97 WeakPolarHBondContact CD1-O 3.21Å; L18-N97 HydrophobicContact CD2-CB 4.14Å; L18-F98 HydrophobicContact CD1-CB 4.41Å; L18-F98 HydrophobicContact CD1-CD1 4.06Å; L18-F98 HydrophobicContact CD1-CD2 4.1Å; L18-F98 HydrophobicContact CD1-CE1 4.35Å; L18-F98 HydrophobicContact CD1-CE2 4.37Å; L18-F98 HydrophobicContact CD1-CG 3.94Å; L18-K101 HydrophobicContact CD1-CB 3.96Å; L18-K101 HydrophobicContact CD1-CD 4.06Å; L18-K101 HydrophobicContact CG-CD 4.09Å; L18-K101 WeakPolarHBondContact O-CD 3.4Å; L18-K101 VanDerWaalsContact O-CE 3.31Å; L18-K101 WeakPolarHBondContact O-CE 3.25Å; L18-K101 PolarHBondContact O-NZ 3.02Å |
| 19 | D | 90.9 | Very high | 93.3 | Very high | 128 Ų | 128 | 35.8 Ų | 35.8 | 68% | 0.684 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -21.9 | -176.1 | -69.1 | -37.1 | 0 | 0 | 0 | 114.4 | Q17 K101 | Q17-D19 PolarHBondContact O-N 2.96Å; D19-K101 PolarHBondContact O-NZ 3.31Å |
| 20 | F | 90 | Very high | 93.4 | Very high | 142 Ų | 142 | 36.3 Ų | 36.3 | 62% | 0.623 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -24.2 | -171.1 | -60.1 | -76.2 | 0 | 0 | 0 | 114.3 | Q17 L48 | Q17-F20 HydrophobicContact CB-CB 4.26Å; Q17-F20 HydrophobicContact CB-CD2 3.95Å; Q17-F20 PolarHBondContact O-N 3.28Å; F20-L48 WeakPolarHBondContact O-CD1 3.45Å |
| 21 | D | 93.7 | Very high | 93.4 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 13% | 0.134 | 18% | 0.179 | C | C | . | . | trans | -99.1 | 148.1 | -174.5 | -68.8 | -57.5 | 0 | 0 | 0 | 112.5 | T14 G15 N16 Q17 F98 | T14-D21 VanDerWaalsContact C-OD1 3.27Å; T14-D21 VanDerWaalsContact OG1-CA 3.24Å; T14-D21 WeakPolarHBondContact OG1-CA 3.49Å; T14-D21 VanDerWaalsContact OG1-CB 3.27Å; T14-D21 WeakPolarHBondContact OG1-CB 3.36Å; T14-D21 PolarHBondContact OG1-OD1 2.83Å; G15-D21 WeakPolarHBondContact CA-OD1 3.5Å; G15-D21 WeakPolarHBondContact CA-OD2 3.42Å; G15-D21 VanDerWaalsContact N-CG 3.32Å; G15-D21 PolarHBondContact N-OD1 3.2Å; G15-D21 WeakPolarHBondContact O-CB 3.33Å; N16-D21 PolarHBondContact N-OD2 3.14Å; N16-D21 VanDerWaalsContact N-OD2 3.13Å; Q17-D21 WeakPolarHBondContact CA-OD2 3.25Å; Q17-D21 WeakPolarHBondContact CB-OD2 3.29Å; Q17-D21 PolarHBondContact N-OD2 3.3Å; Q17-D21 WeakPolarHBondContact O-CB 3.36Å; Q17-D21 PolarHBondContact O-N 3.23Å; D21-F98 HydrophobicContact CB-CE1 4.07Å; D21-F98 HydrophobicContact CB-CZ 4.25Å | ||
| 22 | D | 93.8 | Very high | 93.4 | Very high | 64 Ų | 64 | 40.2 Ų | 40.2 | 34% | 0.342 | 20% | 0.197 | S | C | . | . | trans | -106.8 | 152.7 | 178.1 | -76.2 | -17.7 | 0 | 0 | 0 | 111 | T13 T14 T46 L48 | T13-D22 CarbonylContact C-O 3.5Å; T13-D22 WeakPolarHBondContact CA-O 3.23Å; T13-D22 WeakPolarHBondContact CB-O 3.27Å; T14-D22 HydrophobicContact CG2-CB 4.49Å; T14-D22 PolarHBondContact N-O 3.2Å; T14-D22 PolarHBondContact OG1-N 2.88Å; D22-T46 PolarHBondContact OD2-OG1 2.92Å; D22-L48 HydrophobicContact CB-CD1 4.17Å | ||
| 23 | I | 95.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 129.4 | 167.1 | -59.9 | 170.1 | 0 | 0 | 0 | 108.2 | L11 T13 Q25 I44 F71 F98 I99 A102 | L11-I23 HydrophobicContact CD1-CD1 4.07Å; L11-I23 HydrophobicContact CD1-CG1 4.35Å; L11-I23 HydrophobicContact CD2-CD1 4.41Å; L11-I23 HydrophobicContact CD2-CG2 4.12Å; T13-I23 HydrophobicContact CG2-CG1 4.36Å; I23-Q25 WeakPolarHBondContact CG2-O 3.43Å; I23-I44 HydrophobicContact CG2-CG1 4.2Å; I23-I44 WeakPolarHBondContact O-CB 3.44Å; I23-I44 WeakPolarHBondContact O-CG2 3.24Å; I23-F71 HydrophobicContact CD1-CD2 4.3Å; I23-F71 HydrophobicContact CD1-CE2 3.89Å; I23-F98 HydrophobicContact CD1-CB 4.31Å; I23-F98 HydrophobicContact CG1-CB 4.3Å; I23-F98 HydrophobicContact CG1-CD1 4.35Å; I23-I99 HydrophobicContact CD1-CG1 4.33Å; I23-A102 HydrophobicContact CD1-CB 3.81Å |
| 24 | I | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -19.6 | 177.1 | 58.6 | 172.7 | 0 | 0 | 0 | 113 | E12 T14 I44 T46 I50 I54 I60 L65 | E12-I24 HydrophobicContact CB-CD1 4.37Å; E12-I24 HydrophobicContact CB-CG1 3.94Å; E12-I24 VanDerWaalsContact O-CG1 3.27Å; E12-I24 WeakPolarHBondContact O-CG1 3.46Å; E12-I24 PolarHBondContact O-N 3.12Å; T14-I24 HydrophobicContact CG2-CG2 3.53Å; I24-I44 PolarHBondContact O-N 3.27Å; I24-T46 HydrophobicContact CG2-CG2 3.7Å; I24-I50 HydrophobicContact CD1-CD1 4.41Å; I24-I54 HydrophobicContact CD1-CG2 4.27Å; I24-I60 HydrophobicContact CD1-CB 4.35Å; I24-I60 HydrophobicContact CD1-CD1 3.92Å; I24-I60 HydrophobicContact CD1-CG2 4.3Å; I24-I60 HydrophobicContact CG1-CD1 4.14Å; I24-L65 HydrophobicContact CB-CD1 3.99Å; I24-L65 HydrophobicContact CG2-CD1 3.94Å |
| 25 | Q | 95.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 143.4 | 171 | -166.4 | -176.4 | 5.2 | 0 | 0 | 110.1 | L11 E12 I23 M43 I60 A151 D152 | L11-Q25 WeakPolarHBondContact CA-O 3.34Å; E12-Q25 HydrophobicContact CB-CB 3.95Å; E12-Q25 HydrophobicContact CG-CB 4.29Å; E12-Q25 PolarHBondContact N-O 3.44Å; E12-Q25 PolarHBondContact O-N 3.1Å; I23-Q25 WeakPolarHBondContact CG2-O 3.43Å; Q25-M43 HydrophobicContact CB-SD 4.24Å; Q25-M43 HydrophobicContact CG-SD 3.7Å; Q25-I60 HydrophobicContact CB-CD1 3.9Å; Q25-A151 HydrophobicContact CB-CB 4.28Å; Q25-A151 HydrophobicContact CG-CB 3.88Å; Q25-D152 PolarHBondContact NE2-OD1 3.27Å |
| 26 | I | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.4 | 169.9 | -178.2 | 164.4 | 0 | 0 | 0 | 110.3 | L11 I28 Y40 H41 S42 I44 I78 I99 | L11-I26 HydrophobicContact CD2-CB 3.8Å; L11-I26 HydrophobicContact CD2-CD1 3.88Å; L11-I26 HydrophobicContact CD2-CG1 3.61Å; I26-I28 HydrophobicContact CD1-CD1 3.88Å; I26-I28 HydrophobicContact CD1-CG1 4.14Å; I26-I28 HydrophobicContact CG1-CD1 4.18Å; I26-I28 HydrophobicContact CG1-CG1 3.9Å; I26-Y40 HydrophobicContact CG2-CE1 4.07Å; I26-H41 WeakPolarHBondContact O-CA 3.39Å; I26-S42 WeakPolarHBondContact CG2-O 3.38Å; I26-S42 PolarHBondContact N-O 3Å; I26-S42 PolarHBondContact O-N 2.95Å; I26-I44 HydrophobicContact CG2-CD1 4.24Å; I26-I44 HydrophobicContact CG2-CG1 4.28Å; I26-I78 HydrophobicContact CD1-CD1 4.13Å; I26-I78 HydrophobicContact CD1-CG2 4.02Å; I26-I78 HydrophobicContact CG2-CD1 4.29Å; I26-I99 HydrophobicContact CD1-CD1 4.09Å |
| 27 | G | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | V9 D10 | V9-G27 WeakPolarHBondContact CA-O 3.45Å; D10-G27 PolarHBondContact N-O 3.46Å; D10-G27 PolarHBondContact O-N 3.33Å |
| 28 | I | 97.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.1 | 176.7 | -45.5 | 178.9 | 0 | 0 | 0 | 109.2 | A7 V8 V9 I26 F30 T39 Y40 I78 I82 | A7-I28 HydrophobicContact CB-CG2 4.1Å; V8-I28 CarbonylContact O-C 3.55Å; V8-I28 VanDerWaalsContact O-CA 3.25Å; V8-I28 WeakPolarHBondContact O-CA 3.15Å; V9-I28 HydrophobicContact CG2-CG1 4.18Å; V9-I28 HydrophobicContact CG2-CG2 4.08Å; I26-I28 HydrophobicContact CD1-CD1 3.88Å; I26-I28 HydrophobicContact CD1-CG1 4.14Å; I26-I28 HydrophobicContact CG1-CD1 4.18Å; I26-I28 HydrophobicContact CG1-CG1 3.9Å; I28-F30 HydrophobicContact CB-CE2 4.3Å; I28-F30 HydrophobicContact CB-CZ 4.33Å; I28-F30 HydrophobicContact CG2-CD2 4.41Å; I28-F30 HydrophobicContact CG2-CE1 3.95Å; I28-F30 HydrophobicContact CG2-CE2 3.83Å; I28-F30 HydrophobicContact CG2-CZ 3.55Å; I28-T39 CarbonylContact O-C 3.53Å; I28-T39 VanDerWaalsContact O-CA 3.29Å; I28-T39 WeakPolarHBondContact O-CA 3.09Å; I28-Y40 HydrophobicContact CD1-CD1 3.89Å; I28-Y40 HydrophobicContact CG1-CD1 4.15Å; I28-Y40 PolarHBondContact N-O 3.25Å; I28-Y40 PolarHBondContact O-N 2.93Å; I28-I78 HydrophobicContact CD1-CG2 3.96Å; I28-I82 HydrophobicContact CD1-CG2 3.93Å; I28-I82 HydrophobicContact CG2-CG2 4.42Å |
| 29 | T | 97.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.6 | 172.2 | -65.9 | 0 | 0 | 0 | 0 | 109.8 | V8 V31 I36 T39 A156 A159 | V8-T29 WeakPolarHBondContact CB-O 3.35Å; V8-T29 PolarHBondContact N-O 3.49Å; V8-T29 PolarHBondContact O-N 2.95Å; T29-V31 HydrophobicContact CG2-CG2 4.41Å; T29-I36 HydrophobicContact CG2-CB 4.32Å; T29-I36 HydrophobicContact CG2-CD1 3.95Å; T29-I36 HydrophobicContact CG2-CG1 3.8Å; T29-I36 HydrophobicContact CG2-CG2 3.65Å; T29-T39 HydrophobicContact CG2-CG2 4.25Å; T29-A156 VanDerWaalsContact OG1-CA 3.28Å; T29-A156 WeakPolarHBondContact OG1-CA 3.28Å; T29-A156 PolarHBondContact OG1-N 2.96Å; T29-A159 HydrophobicContact CG2-CB 3.52Å |
| 30 | F | 98 | Very high | 95.1 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.6 | 179.8 | -61.8 | -83.4 | 0 | 0 | 0 | 110.5 | T5 Y6 A7 I28 I36 I37 D38 K81 I82 | T5-F30 HydrophobicContact CG2-CB 4.34Å; T5-F30 HydrophobicContact CG2-CD1 4.3Å; Y6-F30 CarbonylContact O-C 3.51Å; Y6-F30 VanDerWaalsContact O-CA 3.31Å; Y6-F30 WeakPolarHBondContact O-CA 3.45Å; A7-F30 HydrophobicContact CB-CD1 4.22Å; A7-F30 HydrophobicContact CB-CE1 3.97Å; I28-F30 HydrophobicContact CB-CE2 4.3Å; I28-F30 HydrophobicContact CB-CZ 4.33Å; I28-F30 HydrophobicContact CG2-CD2 4.41Å; I28-F30 HydrophobicContact CG2-CE1 3.95Å; I28-F30 HydrophobicContact CG2-CE2 3.83Å; I28-F30 HydrophobicContact CG2-CZ 3.55Å; F30-I36 WeakPolarHBondContact O-CA 3.44Å; F30-I37 HydrophobicContact CB-CD1 4.43Å; F30-I37 HydrophobicContact CB-CG1 3.92Å; F30-I37 WeakPolarHBondContact O-CG1 3.45Å; F30-I37 PolarHBondContact O-N 2.97Å; F30-D38 HydrophobicContact CB-CB 4.17Å; F30-D38 HydrophobicContact CD2-CB 3.91Å; F30-D38 HydrophobicContact CG-CB 4.4Å; F30-D38 PolarHBondContact N-O 3.38Å; F30-K81 HydrophobicContact CE1-CB 4.39Å; F30-K81 HydrophobicContact CZ-CB 3.83Å; F30-I82 HydrophobicContact CE1-CG2 4.16Å; F30-I82 HydrophobicContact CZ-CG2 4.26Å |
| 31 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.8 | 178 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | T5 Y6 V8 T29 Q35 I36 A159 M162 I163 | T5-V31 WeakPolarHBondContact CA-O 3.49Å; Y6-V31 HydrophobicContact CD2-CB 4.36Å; Y6-V31 HydrophobicContact CD2-CG1 4.45Å; Y6-V31 WeakPolarHBondContact CD2-O 3.28Å; Y6-V31 PolarHBondContact N-O 3.1Å; Y6-V31 PolarHBondContact O-N 2.95Å; V8-V31 HydrophobicContact CG2-CG2 4.26Å; T29-V31 HydrophobicContact CG2-CG2 4.41Å; V31-Q35 WeakPolarHBondContact CA-O 3.28Å; V31-I36 HydrophobicContact CG2-CG1 4.18Å; V31-A159 HydrophobicContact CG2-CB 3.69Å; V31-M162 HydrophobicContact CB-CE 4Å; V31-M162 HydrophobicContact CG1-CE 4.08Å; V31-M162 HydrophobicContact CG2-CE 4Å; V31-I163 HydrophobicContact CG1-CD1 3.86Å; V31-I163 HydrophobicContact CG1-CG1 3.86Å; V31-I163 HydrophobicContact CG2-CD1 4.23Å |
| 32 | R | 95.3 | Very high | 95.3 | Very high | 109 Ų | 109 | 43.5 Ų | 43.5 | 41% | 0.411 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 135.3 | 170.9 | -171.5 | -177.9 | -67.2 | 166.3 | 0.7 | 108.4 | T5 N34 Q35 I37 | T5-R32 VanDerWaalsContact OG1-CZ 3.25Å; T5-R32 PolarHBondContact OG1-NE 3.46Å; T5-R32 PolarHBondContact OG1-NH2 2.93Å; R32-N34 VanDerWaalsContact C-N 3.35Å; R32-N34 PolarHBondContact O-N 2.78Å; R32-Q35 PolarHBondContact N-O 3.22Å; R32-Q35 PolarHBondContact O-N 3.48Å; R32-Q35 VanDerWaalsContact O-N 3.07Å; R32-Q35 VanDerWaalsContact O-O 3.07Å; R32-I37 HydrophobicContact CB-CD1 3.82Å; R32-I37 HydrophobicContact CB-CG1 4.32Å; R32-I37 HydrophobicContact CB-CG2 4.07Å |
| 33 | N | 90.3 | Very high | 95.3 | Very high | 88 Ų | 88 | 42.3 Ų | 42.3 | 47% | 0.471 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 46.4 | -178.6 | -59.4 | -1.5 | 0 | 0 | 0 | 113.6 | M3 Q35 | M3-N33 WeakPolarHBondContact CE-OD1 3.35Å; M3-N33 PolarHBondContact SD-OD1 2.76Å; N33-Q35 PolarHBondContact O-N 3.16Å; N33-Q35 VanDerWaalsContact O-N 3.08Å |
| 34 | N | 91.8 | Very high | 95.4 | Very high | 38 Ų | 38 | 42 Ų | 42 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 24.1 | -177.9 | -64.1 | -14.1 | 0 | 0 | 0 | 113.7 | R32 I163 E170 | R32-N34 VanDerWaalsContact C-N 3.35Å; R32-N34 PolarHBondContact O-N 2.78Å; N34-I163 HydrophobicContact CB-CG2 3.96Å; N34-I163 WeakPolarHBondContact O-CG2 3.38Å; N34-E170 PolarHBondContact ND2-OE1 3.15Å |
| 35 | Q | 94.8 | Very high | 95.4 | Very high | 135 Ų | 135 | 46.8 Ų | 46.8 | 63% | 0.631 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.2 | 176.7 | -67.1 | -175.5 | -13.9 | 0 | 0 | 110.8 | V31 R32 N33 I37 | V31-Q35 WeakPolarHBondContact CA-O 3.28Å; R32-Q35 PolarHBondContact N-O 3.22Å; R32-Q35 PolarHBondContact O-N 3.48Å; R32-Q35 VanDerWaalsContact O-N 3.07Å; R32-Q35 VanDerWaalsContact O-O 3.07Å; N33-Q35 PolarHBondContact O-N 3.16Å; N33-Q35 VanDerWaalsContact O-N 3.08Å; Q35-I37 PolarHBondContact O-N 3.32Å |
| 36 | I | 95.1 | Very high | 95.3 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 33% | 0.333 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 120.2 | 169.7 | -64.1 | 171 | 0 | 0 | 0 | 107.6 | T29 F30 V31 T39 A159 K160 I163 | T29-I36 HydrophobicContact CG2-CB 4.32Å; T29-I36 HydrophobicContact CG2-CD1 3.95Å; T29-I36 HydrophobicContact CG2-CG1 3.8Å; T29-I36 HydrophobicContact CG2-CG2 3.65Å; F30-I36 WeakPolarHBondContact O-CA 3.44Å; V31-I36 HydrophobicContact CG2-CG1 4.18Å; I36-T39 HydrophobicContact CG2-CG2 4.29Å; I36-A159 HydrophobicContact CD1-CB 4.29Å; I36-A159 HydrophobicContact CG1-CB 4.37Å; I36-K160 HydrophobicContact CD1-CG 3.99Å; I36-I163 HydrophobicContact CG1-CD1 4.2Å |
| 37 | I | 96.3 | Very high | 95 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -25 | -175.9 | 57.8 | 163.1 | 0 | 0 | 0 | 113.5 | T5 F30 R32 Q35 | T5-I37 HydrophobicContact CG2-CD1 4.22Å; F30-I37 HydrophobicContact CB-CD1 4.43Å; F30-I37 HydrophobicContact CB-CG1 3.92Å; F30-I37 WeakPolarHBondContact O-CG1 3.45Å; F30-I37 PolarHBondContact O-N 2.97Å; R32-I37 HydrophobicContact CB-CD1 3.82Å; R32-I37 HydrophobicContact CB-CG1 4.32Å; R32-I37 HydrophobicContact CB-CG2 4.07Å; Q35-I37 PolarHBondContact O-N 3.32Å |
| 38 | D | 95.3 | Very high | 94.7 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 160.9 | -178.1 | -163 | 13.8 | 0 | 0 | 0 | 109.9 | F30 | F30-D38 HydrophobicContact CB-CB 4.17Å; F30-D38 HydrophobicContact CD2-CB 3.91Å; F30-D38 HydrophobicContact CG-CB 4.4Å; F30-D38 PolarHBondContact N-O 3.38Å |
| 39 | T | 95.7 | Very high | 94.3 | Very high | 76 Ų | 76 | 64.4 Ų | 64.4 | 47% | 0.466 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151.3 | 171.6 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | I28 T29 I36 | I28-T39 CarbonylContact O-C 3.53Å; I28-T39 VanDerWaalsContact O-CA 3.29Å; I28-T39 WeakPolarHBondContact O-CA 3.09Å; T29-T39 HydrophobicContact CG2-CG2 4.25Å; I36-T39 HydrophobicContact CG2-CG2 4.29Å |
| 40 | Y | 96.2 | Very high | 93.8 | Very high | 20 Ų | 20 | 64.4 Ų | 64.4 | 8% | 0.078 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.2 | 172.8 | 173.6 | -87.9 | 0 | 0 | 0 | 108.6 | I26 I28 E77 I78 K81 | I26-Y40 HydrophobicContact CG2-CE1 4.07Å; I28-Y40 HydrophobicContact CD1-CD1 3.89Å; I28-Y40 HydrophobicContact CG1-CD1 4.15Å; I28-Y40 PolarHBondContact N-O 3.25Å; I28-Y40 PolarHBondContact O-N 2.93Å; Y40-E77 HydrophobicContact CE2-CG 4.38Å; Y40-E77 WeakPolarHBondContact CE2-OE1 3.29Å; Y40-I78 HydrophobicContact CE1-CD1 4.12Å; Y40-I78 HydrophobicContact CE1-CG1 3.6Å; Y40-I78 WeakPolarHBondContact OH-CG1 3.25Å; Y40-K81 HydrophobicContact CD2-CD 3.8Å; Y40-K81 HydrophobicContact CE2-CD 4.36Å; Y40-K81 HydrophobicContact CG-CD 4.16Å |
| 41 | H | 94.5 | Very high | 93 | Very high | 116 Ų | 116 | 66.6 Ų | 66.6 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 141.3 | 177.2 | 65.3 | -84.7 | 0 | 0 | 0 | 109.3 | I26 D152 | I26-H41 WeakPolarHBondContact O-CA 3.39Å; H41-D152 HydrophobicContact CB-CB 3.82Å |
| 42 | S | 94.5 | Very high | 92.2 | Very high | 14 Ų | 14 | 71.3 Ų | 71.3 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 131.6 | 169.9 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | I26 | I26-S42 WeakPolarHBondContact CG2-O 3.38Å; I26-S42 PolarHBondContact N-O 3Å; I26-S42 PolarHBondContact O-N 2.95Å |
| 43 | M | 94.5 | Very high | 91.3 | Very high | 38 Ų | 38 | 73.3 Ų | 73.3 | 19% | 0.187 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 148.1 | 156.6 | -57.6 | -60.1 | -81.3 | 0 | 0 | 107.7 | Q25 I60 M64 L65 A68 P69 | Q25-M43 HydrophobicContact CB-SD 4.24Å; Q25-M43 HydrophobicContact CG-SD 3.7Å; M43-I60 HydrophobicContact CE-CB 4.49Å; M43-I60 HydrophobicContact CE-CD1 4.05Å; M43-I60 HydrophobicContact CE-CG1 4.03Å; M43-I60 HydrophobicContact CE-CG2 3.73Å; M43-M64 HydrophobicContact CE-CB 4.37Å; M43-M64 HydrophobicContact CE-CE 4.27Å; M43-L65 HydrophobicContact CB-CD2 4.04Å; M43-L65 HydrophobicContact CE-CD2 3.69Å; M43-A68 HydrophobicContact CB-CB 3.72Å; M43-P69 WeakPolarHBondContact O-CD 3.35Å |
| 44 | I | 95.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.015 | 36% | 0.355 | C | S | . | . | trans | -125.3 | 126.9 | -178.4 | -56.3 | -64 | 0 | 0 | 0 | 108.8 | I23 I24 I26 P69 F71 V74 | I23-I44 HydrophobicContact CG2-CG1 4.2Å; I23-I44 WeakPolarHBondContact O-CB 3.44Å; I23-I44 WeakPolarHBondContact O-CG2 3.24Å; I24-I44 PolarHBondContact O-N 3.27Å; I26-I44 HydrophobicContact CG2-CD1 4.24Å; I26-I44 HydrophobicContact CG2-CG1 4.28Å; I44-P69 WeakPolarHBondContact CA-O 3.27Å; I44-F71 HydrophobicContact CD1-CD2 4.32Å; I44-F71 HydrophobicContact CG2-CB 3.87Å; I44-F71 HydrophobicContact CG2-CD2 4.44Å; I44-V74 HydrophobicContact CD1-CG2 3.61Å | ||
| 45 | R | 95.2 | Very high | 90.4 | Very high | 100 Ų | 100 | 70.7 Ų | 70.7 | 38% | 0.377 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -75.5 | 130.6 | 177 | -175.4 | 170.5 | 177.6 | 158.4 | -0.6 | 110.5 | Q66 A68 P69 Y70 | R45-Q66 PolarHBondContact NH1-O 2.84Å; R45-A68 HydrophobicContact CB-CB 4.22Å; R45-A68 WeakPolarHBondContact CB-O 2.93Å; R45-P69 PolarHBondContact N-O 3.45Å; R45-Y70 HydrophobicContact CB-CD1 4.2Å; R45-Y70 HydrophobicContact CB-CE1 4.28Å; R45-Y70 HydrophobicContact CB-CG 4.43Å; R45-Y70 HydrophobicContact CG-CD1 4.3Å; R45-Y70 HydrophobicContact CG-CE1 3.86Å; R45-Y70 HydrophobicContact CG-CE2 4.38Å; R45-Y70 PolarHBondContact NE-OH 2.7Å; R45-Y70 WeakPolarHBondContact O-CD1 2.98Å |
| 46 | T | 92.4 | Very high | 89.3 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 10% | 0.104 | 36% | 0.359 | C | S | . | . | trans | -117.2 | 158.7 | 168.8 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | T14 D22 I24 L48 L65 | T14-T46 HydrophobicContact CG2-CG2 3.92Å; D22-T46 PolarHBondContact OD2-OG1 2.92Å; I24-T46 HydrophobicContact CG2-CG2 3.7Å; T46-L48 WeakPolarHBondContact OG1-CB 3.25Å; T46-L48 PolarHBondContact OG1-N 3.06Å; T46-L65 HydrophobicContact CG2-CD1 4.2Å | ||
| 47 | N | 90.6 | Very high | 88.3 | Confident | 130 Ų | 130 | 68.7 Ų | 68.7 | 70% | 0.695 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -98.2 | 0.2 | 170.2 | -61 | -35.5 | 0 | 0 | 0 | 112.1 | Y70 | N47-Y70 PolarHBondContact OD1-OH 2.99Š|
| 48 | L | 90.6 | Very high | 87.5 | Confident | 74 Ų | 74 | 65 Ų | 65 | 39% | 0.387 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -82.3 | 145.1 | 175.7 | -57.5 | 176.3 | 0 | 0 | 0 | 110 | T14 F20 D22 T46 | T14-L48 HydrophobicContact CG2-CB 4.32Å; T14-L48 HydrophobicContact CG2-CD1 4.5Å; F20-L48 WeakPolarHBondContact O-CD1 3.45Å; D22-L48 HydrophobicContact CB-CD1 4.17Å; T46-L48 WeakPolarHBondContact OG1-CB 3.25Å; T46-L48 PolarHBondContact OG1-N 3.06Å |
| 49 | E | 88.1 | Confident | 86.8 | Confident | 154 Ų | 154 | 65 Ų | 65 | 72% | 0.72 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -68 | 133.5 | 168.7 | -174.9 | 179.2 | 173.5 | 0 | 0 | 109 | P51 E62 | E49-P51 WeakPolarHBondContact O-CD 3.5Å; E49-E62 WeakPolarHBondContact CG-OE1 3.41Å |
| 50 | I | 86.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 116.8 | 179.2 | -53.7 | 174.5 | 0 | 0 | 0 | 108.2 | T14 I24 I54 Q55 I60 E62 L65 | T14-I50 HydrophobicContact CG2-CG1 4.47Å; I24-I50 HydrophobicContact CD1-CD1 4.41Å; I50-I54 HydrophobicContact CG2-CB 3.93Å; I50-I54 HydrophobicContact CG2-CG2 3.72Å; I50-Q55 HydrophobicContact CB-CG 4Å; I50-Q55 HydrophobicContact CG2-CG 3.62Å; I50-Q55 PolarHBondContact O-NE2 3.46Å; I50-I60 HydrophobicContact CD1-CG2 4.41Å; I50-E62 HydrophobicContact CB-CG 4.47Å; I50-E62 HydrophobicContact CD1-CG 4.18Å; I50-E62 HydrophobicContact CG1-CG 4.23Å; I50-E62 PolarHBondContact N-OE1 3.43Å; I50-L65 HydrophobicContact CD1-CD1 3.56Å |
| 51 | P | 82.9 | Confident | 85.8 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 140.6 | -179.8 | -25.1 | 34.7 | 0 | 0 | 0 | 111.9 | T14 E49 F53 I54 Q55 | T14-P51 WeakPolarHBondContact O-CD 3.4Å; E49-P51 WeakPolarHBondContact O-CD 3.5Å; P51-F53 PolarHBondContact O-N 3.32Å; P51-I54 HydrophobicContact CB-CG1 4.37Å; P51-I54 HydrophobicContact CG-CG1 4.43Å; P51-I54 WeakPolarHBondContact O-CB 3.47Å; P51-I54 PolarHBondContact O-N 2.98Å; P51-Q55 PolarHBondContact O-N 2.77Å; P51-Q55 VanDerWaalsContact O-N 3.13Å |
| 52 | P | 78.6 | Confident | 85.3 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 64% | 0.643 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -54 | -31.8 | -178.3 | -29.3 | 34.8 | 0 | 0 | 0 | 114.5 | Q55 A56 | P52-Q55 PolarHBondContact O-N 2.9Å; P52-A56 WeakPolarHBondContact O-CB 3.42Å; P52-A56 PolarHBondContact O-N 3.43Å |
| 53 | F | 78.2 | Confident | 85 | Confident | 151 Ų | 151 | 67.9 Ų | 67.9 | 66% | 0.662 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.1 | -39.4 | 174.3 | 172.6 | -97.4 | 0 | 0 | 0 | 112.9 | P51 A56 L57 | P51-F53 PolarHBondContact O-N 3.32Å; F53-A56 PolarHBondContact O-N 2.86Å; F53-L57 HydrophobicContact CE1-CD2 4.4Å; F53-L57 WeakPolarHBondContact O-CB 3.29Å; F53-L57 PolarHBondContact O-N 3Å |
| 54 | I | 80.4 | Confident | 84.7 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73 | -39.8 | 177.4 | -63.2 | -64 | 0 | 0 | 0 | 110.5 | T13 I24 I50 P51 A56 L57 T58 | T13-I54 WeakPolarHBondContact O-CG2 3.18Å; I24-I54 HydrophobicContact CD1-CG2 4.27Å; I50-I54 HydrophobicContact CG2-CB 3.93Å; I50-I54 HydrophobicContact CG2-CG2 3.72Å; P51-I54 HydrophobicContact CB-CG1 4.37Å; P51-I54 HydrophobicContact CG-CG1 4.43Å; P51-I54 WeakPolarHBondContact O-CB 3.47Å; P51-I54 PolarHBondContact O-N 2.98Å; I54-A56 VanDerWaalsContact C-N 3.27Å; I54-A56 PolarHBondContact O-N 2.7Å; I54-L57 PolarHBondContact O-N 3.08Å; I54-L57 VanDerWaalsContact O-N 3.15Å; I54-T58 HydrophobicContact CG2-CG2 4.09Å; I54-T58 WeakPolarHBondContact O-CB 3.36Å; I54-T58 WeakPolarHBondContact O-CG2 3.35Å; I54-T58 PolarHBondContact O-N 3.48Å; I54-T58 PolarHBondContact O-OG1 3.47Å |
| 55 | Q | 81 | Confident | 84.4 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 27% | 0.266 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 173.1 | -58.5 | -173.9 | 24 | 0 | 0 | 110.8 | I50 P51 P52 S59 I60 | I50-Q55 HydrophobicContact CB-CG 4Å; I50-Q55 HydrophobicContact CG2-CG 3.62Å; I50-Q55 PolarHBondContact O-NE2 3.46Å; P51-Q55 PolarHBondContact O-N 2.77Å; P51-Q55 VanDerWaalsContact O-N 3.13Å; P52-Q55 PolarHBondContact O-N 2.9Å; Q55-S59 WeakPolarHBondContact O-CA 3.44Å; Q55-S59 PolarHBondContact O-N 3.03Å; Q55-I60 WeakPolarHBondContact CG-O 3.32Å |
| 56 | A | 73.3 | Confident | 84.1 | Confident | 81 Ų | 81 | 71.2 Ų | 71.2 | 67% | 0.669 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68.7 | -32.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P52 F53 I54 | P52-A56 WeakPolarHBondContact O-CB 3.42Å; P52-A56 PolarHBondContact O-N 3.43Å; F53-A56 PolarHBondContact O-N 2.86Å; I54-A56 VanDerWaalsContact C-N 3.27Å; I54-A56 PolarHBondContact O-N 2.7Å |
| 57 | L | 73.9 | Confident | 83.9 | Confident | 77 Ų | 77 | 79.1 Ų | 79.1 | 40% | 0.403 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -74.6 | -44.8 | 179.9 | -177.7 | 64.7 | 0 | 0 | 0 | 112.2 | F53 I54 H149 | F53-L57 HydrophobicContact CE1-CD2 4.4Å; F53-L57 WeakPolarHBondContact O-CB 3.29Å; F53-L57 PolarHBondContact O-N 3Å; I54-L57 PolarHBondContact O-N 3.08Å; I54-L57 VanDerWaalsContact O-N 3.15Å; L57-H149 WeakPolarHBondContact O-CB 3.41Å |
| 58 | T | 79.5 | Confident | 84.1 | Confident | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.018 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -98.9 | -13.7 | -171.1 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | E12 I54 I60 | E12-T58 HydrophobicContact CB-CG2 4.13Å; E12-T58 HydrophobicContact CG-CG2 4Å; E12-T58 WeakPolarHBondContact OE2-CG2 3.36Å; I54-T58 HydrophobicContact CG2-CG2 4.09Å; I54-T58 WeakPolarHBondContact O-CB 3.36Å; I54-T58 WeakPolarHBondContact O-CG2 3.35Å; I54-T58 PolarHBondContact O-N 3.48Å; I54-T58 PolarHBondContact O-OG1 3.47Å; T58-I60 PolarHBondContact O-N 3.39Å; T58-I60 WeakPolarHBondContact OG1-CB 3.19Å; T58-I60 PolarHBondContact OG1-N 2.9Å |
| 59 | S | 81 | Confident | 84.3 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 59% | 0.587 | 38% | 0.383 | S | S | * | . | trans | 58 | 23.2 | -169 | -51.2 | 0 | 0 | 0 | 0 | 114 | Q55 | Q55-S59 WeakPolarHBondContact O-CA 3.44Å; Q55-S59 PolarHBondContact O-N 3.03Å | ||
| 60 | I | 84.4 | Confident | 84.7 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | trans | -97.8 | 114.9 | 177.3 | -57.2 | 174.9 | 0 | 0 | 0 | 109.7 | E12 I24 Q25 M43 I50 Q55 T58 L65 | E12-I60 HydrophobicContact CB-CD1 4.04Å; E12-I60 HydrophobicContact CG-CD1 4.25Å; I24-I60 HydrophobicContact CD1-CB 4.35Å; I24-I60 HydrophobicContact CD1-CD1 3.92Å; I24-I60 HydrophobicContact CD1-CG2 4.3Å; I24-I60 HydrophobicContact CG1-CD1 4.14Å; Q25-I60 HydrophobicContact CB-CD1 3.9Å; M43-I60 HydrophobicContact CE-CB 4.49Å; M43-I60 HydrophobicContact CE-CD1 4.05Å; M43-I60 HydrophobicContact CE-CG1 4.03Å; M43-I60 HydrophobicContact CE-CG2 3.73Å; I50-I60 HydrophobicContact CD1-CG2 4.41Å; Q55-I60 WeakPolarHBondContact CG-O 3.32Å; T58-I60 PolarHBondContact O-N 3.39Å; T58-I60 WeakPolarHBondContact OG1-CB 3.19Å; T58-I60 PolarHBondContact OG1-N 2.9Å; I60-L65 HydrophobicContact CG2-CD1 4.33Å; I60-L65 HydrophobicContact CG2-CD2 3.96Å; I60-L65 HydrophobicContact CG2-CG 4.1Å | ||
| 61 | E | 85.5 | Confident | 85.1 | Confident | 102 Ų | 102 | 69.4 Ų | 69.4 | 48% | 0.477 | 37% | 0.368 | S | S | . | . | trans | -94.1 | 154.1 | 172.5 | -69.1 | 179.4 | -165.6 | 0 | 0 | 111.6 | N63 M64 | E61-N63 WeakPolarHBondContact CB-OD1 3.49Å; E61-N63 PolarHBondContact O-N 2.96Å; E61-N63 PolarHBondContact OE2-ND2 3.04Å; E61-N63 PolarHBondContact OE2-OD1 3.37Å; E61-M64 HydrophobicContact CB-CG 4.27Å; E61-M64 HydrophobicContact CB-SD 4.23Å; E61-M64 PolarHBondContact N-SD 3.11Å; E61-M64 VanDerWaalsContact N-SD 3.41Å; E61-M64 VanDerWaalsContact O-CB 3.32Å; E61-M64 WeakPolarHBondContact O-CB 3.48Å; E61-M64 PolarHBondContact O-N 3.44Å | ||
| 62 | E | 85.1 | Confident | 85.7 | Confident | 92 Ų | 92 | 71.9 Ų | 71.9 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -58.8 | -33.5 | -179.8 | -64.5 | -173.2 | 167.2 | 0 | 0 | 113.4 | E49 I50 M64 L65 | E49-E62 WeakPolarHBondContact CG-OE1 3.41Å; I50-E62 HydrophobicContact CB-CG 4.47Å; I50-E62 HydrophobicContact CD1-CG 4.18Å; I50-E62 HydrophobicContact CG1-CG 4.23Å; I50-E62 PolarHBondContact N-OE1 3.43Å; E62-M64 PolarHBondContact O-N 3.3Å; E62-L65 PolarHBondContact O-N 2.86Å |
| 63 | N | 87.5 | Confident | 86.5 | Confident | 88 Ų | 88 | 73.5 Ų | 73.5 | 47% | 0.471 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -62.1 | -29.8 | 177.7 | 60.7 | 12.5 | 0 | 0 | 0 | 112.2 | E61 L65 Q66 | E61-N63 WeakPolarHBondContact CB-OD1 3.49Å; E61-N63 PolarHBondContact O-N 2.96Å; E61-N63 PolarHBondContact OE2-ND2 3.04Å; E61-N63 PolarHBondContact OE2-OD1 3.37Å; N63-L65 VanDerWaalsContact C-N 3.29Å; N63-L65 PolarHBondContact O-N 2.81Å; N63-Q66 PolarHBondContact O-N 2.9Å |
| 64 | M | 87.3 | Confident | 87.4 | Confident | 89 Ų | 89 | 66.9 Ų | 66.9 | 44% | 0.438 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -70.9 | -27.1 | 179.9 | -59.2 | 172.7 | 67.8 | 0 | 0 | 111.5 | M43 E61 E62 | M43-M64 HydrophobicContact CE-CB 4.37Å; M43-M64 HydrophobicContact CE-CE 4.27Å; E61-M64 HydrophobicContact CB-CG 4.27Å; E61-M64 HydrophobicContact CB-SD 4.23Å; E61-M64 PolarHBondContact N-SD 3.11Å; E61-M64 VanDerWaalsContact N-SD 3.41Å; E61-M64 VanDerWaalsContact O-CB 3.32Å; E61-M64 WeakPolarHBondContact O-CB 3.48Å; E61-M64 PolarHBondContact O-N 3.44Å; E62-M64 PolarHBondContact O-N 3.3Å |
| 65 | L | 90.5 | Very high | 88.1 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.037 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -88.1 | -8 | -178.3 | -57.2 | -174 | 0 | 0 | 0 | 113.5 | I24 M43 T46 I50 I60 E62 N63 Q67 A68 | I24-L65 HydrophobicContact CB-CD1 3.99Å; I24-L65 HydrophobicContact CG2-CD1 3.94Å; M43-L65 HydrophobicContact CB-CD2 4.04Å; M43-L65 HydrophobicContact CE-CD2 3.69Å; T46-L65 HydrophobicContact CG2-CD1 4.2Å; I50-L65 HydrophobicContact CD1-CD1 3.56Å; I60-L65 HydrophobicContact CG2-CD1 4.33Å; I60-L65 HydrophobicContact CG2-CD2 3.96Å; I60-L65 HydrophobicContact CG2-CG 4.1Å; E62-L65 PolarHBondContact O-N 2.86Å; N63-L65 VanDerWaalsContact C-N 3.29Å; N63-L65 PolarHBondContact O-N 2.81Å; L65-Q67 VanDerWaalsContact C-N 3.3Å; L65-Q67 PolarHBondContact O-N 3.26Å; L65-A68 WeakPolarHBondContact O-CB 3.31Å; L65-A68 PolarHBondContact O-N 2.97Å; L65-A68 VanDerWaalsContact O-N 3.11Å |
| 66 | Q | 88 | Confident | 88.9 | Confident | 116 Ų | 116 | 68.3 Ų | 68.3 | 54% | 0.542 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -35.8 | -175.9 | -69.8 | -175.9 | 0.5 | 0 | 0 | 113.5 | R45 N63 | R45-Q66 PolarHBondContact NH1-O 2.84Å; N63-Q66 PolarHBondContact O-N 2.9Å |
| 67 | Q | 89.6 | Confident | 90 | Very high | 183 Ų | 183 | 69.1 Ų | 69.1 | 86% | 0.855 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -0.2 | 177.7 | -60 | -60.7 | -31.7 | 0 | 0 | 112.9 | L65 | L65-Q67 VanDerWaalsContact C-N 3.3Å; L65-Q67 PolarHBondContact O-N 3.26Å |
| 68 | A | 93.8 | Very high | 91.1 | Very high | 13 Ų | 13 | 65.5 Ų | 65.5 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -74.1 | 147.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M43 R45 L65 | M43-A68 HydrophobicContact CB-CB 3.72Å; R45-A68 HydrophobicContact CB-CB 4.22Å; R45-A68 WeakPolarHBondContact CB-O 2.93Å; L65-A68 WeakPolarHBondContact O-CB 3.31Å; L65-A68 PolarHBondContact O-N 2.97Å; L65-A68 VanDerWaalsContact O-N 3.11Å |
| 69 | P | 95.5 | Very high | 91.9 | Very high | 39 Ų | 39 | 68.3 Ų | 68.3 | 25% | 0.253 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 151.7 | 171 | 29.8 | -35.2 | 0 | 0 | 0 | 111.1 | M43 I44 R45 Q73 V74 | M43-P69 WeakPolarHBondContact O-CD 3.35Å; I44-P69 WeakPolarHBondContact CA-O 3.27Å; R45-P69 PolarHBondContact N-O 3.45Å; P69-Q73 HydrophobicContact CB-CB 4.19Å; P69-V74 HydrophobicContact CB-CG1 3.92Å; P69-V74 HydrophobicContact CG-CG1 3.62Å |
| 70 | Y | 95.8 | Very high | 92.6 | Very high | 79 Ų | 79 | 67.8 Ų | 67.8 | 31% | 0.31 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 151 | 163.6 | -74.4 | -79.2 | 0 | 0 | 0 | 110.1 | R45 N47 N72 Q73 | R45-Y70 HydrophobicContact CB-CD1 4.2Å; R45-Y70 HydrophobicContact CB-CE1 4.28Å; R45-Y70 HydrophobicContact CB-CG 4.43Å; R45-Y70 HydrophobicContact CG-CD1 4.3Å; R45-Y70 HydrophobicContact CG-CE1 3.86Å; R45-Y70 HydrophobicContact CG-CE2 4.38Å; R45-Y70 PolarHBondContact NE-OH 2.7Å; R45-Y70 WeakPolarHBondContact O-CD1 2.98Å; N47-Y70 PolarHBondContact OD1-OH 2.99Å; Y70-N72 WeakPolarHBondContact CB-OD1 3.28Å; Y70-N72 PolarHBondContact O-N 3.05Å; Y70-N72 VanDerWaalsContact O-N 3.15Å; Y70-Q73 WeakPolarHBondContact O-CB 3.44Å; Y70-Q73 PolarHBondContact O-N 2.65Å |
| 71 | F | 95.9 | Very high | 93.2 | Very high | 23 Ų | 23 | 71 Ų | 71 | 10% | 0.101 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -53.9 | -40.1 | -177.8 | -170.6 | -89.4 | 0 | 0 | 0 | 112.4 | I23 I44 Q73 V74 A75 I78 A102 F103 | I23-F71 HydrophobicContact CD1-CD2 4.3Å; I23-F71 HydrophobicContact CD1-CE2 3.89Å; I44-F71 HydrophobicContact CD1-CD2 4.32Å; I44-F71 HydrophobicContact CG2-CB 3.87Å; I44-F71 HydrophobicContact CG2-CD2 4.44Å; F71-Q73 PolarHBondContact O-N 3.48Å; F71-Q73 VanDerWaalsContact O-N 3.16Å; F71-V74 CarbonylContact O-C 3.5Å; F71-V74 WeakPolarHBondContact O-CG2 3.33Å; F71-V74 PolarHBondContact O-N 2.89Å; F71-V74 VanDerWaalsContact O-N 3.1Å; F71-A75 HydrophobicContact CD1-CB 3.94Å; F71-A75 HydrophobicContact CE1-CB 3.77Å; F71-A75 WeakPolarHBondContact O-CA 3.35Å; F71-A75 VanDerWaalsContact O-CB 3.29Å; F71-A75 WeakPolarHBondContact O-CB 3.16Å; F71-A75 PolarHBondContact O-N 3.24Å; F71-I78 HydrophobicContact CE2-CD1 4.18Å; F71-A102 HydrophobicContact CD1-CB 3.7Å; F71-A102 HydrophobicContact CD2-CB 4.18Å; F71-A102 VanDerWaalsContact CE1-C 3.44Å; F71-A102 HydrophobicContact CE1-CB 3.36Å; F71-A102 HydrophobicContact CE2-CB 3.87Å; F71-A102 HydrophobicContact CG-CB 4.1Å; F71-A102 HydrophobicContact CZ-CB 3.46Å; F71-A102 VanDerWaalsContact CZ-CB 3.46Å; F71-F103 AromaticContact CE1-CD1 3.86Å; F71-F103 HydrophobicContact CE1-CD1 3.86Å; F71-F103 HydrophobicContact CE1-CE1 4.23Å; F71-F103 HydrophobicContact CZ-CD1 4.02Å; F71-F103 HydrophobicContact CZ-CE1 4.04Å |
| 72 | N | 94.9 | Very high | 93.7 | Very high | 109 Ų | 109 | 66.2 Ų | 66.2 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.5 | -22.5 | 178.4 | 66.5 | -13.9 | 0 | 0 | 0 | 114.7 | Y70 C106 | Y70-N72 WeakPolarHBondContact CB-OD1 3.28Å; Y70-N72 PolarHBondContact O-N 3.05Å; Y70-N72 VanDerWaalsContact O-N 3.15Å; N72-C106 VanDerWaalsContact CA-SG 3.53Å |
| 73 | Q | 96 | Very high | 94.2 | Very high | 134 Ų | 134 | 65.6 Ų | 65.6 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -78.9 | -28.7 | 177.2 | -60.4 | 178 | -67.8 | 0 | 0 | 112 | P69 Y70 F71 | P69-Q73 HydrophobicContact CB-CB 4.19Å; Y70-Q73 WeakPolarHBondContact O-CB 3.44Å; Y70-Q73 PolarHBondContact O-N 2.65Å; F71-Q73 PolarHBondContact O-N 3.48Å; F71-Q73 VanDerWaalsContact O-N 3.16Å |
| 74 | V | 96.4 | Very high | 94.5 | Very high | 12 Ų | 12 | 67.2 Ų | 67.2 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -106.6 | -9.7 | -179.8 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | I44 P69 F71 Q76 E77 I78 | I44-V74 HydrophobicContact CD1-CG2 3.61Å; P69-V74 HydrophobicContact CB-CG1 3.92Å; P69-V74 HydrophobicContact CG-CG1 3.62Å; F71-V74 CarbonylContact O-C 3.5Å; F71-V74 WeakPolarHBondContact O-CG2 3.33Å; F71-V74 PolarHBondContact O-N 2.89Å; F71-V74 VanDerWaalsContact O-N 3.1Å; V74-Q76 VanDerWaalsContact C-N 3.34Å; V74-Q76 PolarHBondContact O-N 3.24Å; V74-E77 WeakPolarHBondContact O-CB 3.49Å; V74-E77 PolarHBondContact O-N 3.09Å; V74-E77 VanDerWaalsContact O-N 3.11Å; V74-I78 HydrophobicContact CB-CD1 4.08Å; V74-I78 HydrophobicContact CB-CG1 4.48Å; V74-I78 HydrophobicContact CG2-CD1 3.72Å; V74-I78 WeakPolarHBondContact O-CG1 3.32Å; V74-I78 PolarHBondContact O-N 2.9Å |
| 75 | A | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 2% | 0.017 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56 | -44.5 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | F71 I78 Y79 F103 C106 I108 | F71-A75 HydrophobicContact CD1-CB 3.94Å; F71-A75 HydrophobicContact CE1-CB 3.77Å; F71-A75 WeakPolarHBondContact O-CA 3.35Å; F71-A75 VanDerWaalsContact O-CB 3.29Å; F71-A75 WeakPolarHBondContact O-CB 3.16Å; F71-A75 PolarHBondContact O-N 3.24Å; A75-I78 PolarHBondContact O-N 3.34Å; A75-Y79 WeakPolarHBondContact O-CB 3.44Å; A75-Y79 PolarHBondContact O-N 3.4Å; A75-F103 HydrophobicContact CB-CD1 4.27Å; A75-F103 HydrophobicContact CB-CE1 4.41Å; A75-F103 VanDerWaalsContact O-CE1 3.25Å; A75-F103 WeakPolarHBondContact O-CE1 3.31Å; A75-C106 HydrophobicContact CB-CB 3.92Å; A75-I108 HydrophobicContact CB-CD1 3.86Å |
| 76 | Q | 96.5 | Very high | 95.1 | Very high | 99 Ų | 99 | 64.3 Ų | 64.3 | 46% | 0.463 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 179.4 | -173.6 | 58.2 | 51.5 | 0 | 0 | 112 | V74 Y79 D80 | V74-Q76 VanDerWaalsContact C-N 3.34Å; V74-Q76 PolarHBondContact O-N 3.24Å; Q76-Y79 PolarHBondContact O-N 3.48Å; Q76-D80 PolarHBondContact NE2-OD1 3.4Å; Q76-D80 PolarHBondContact NE2-OD2 3.47Å; Q76-D80 WeakPolarHBondContact O-CB 3.34Å; Q76-D80 PolarHBondContact O-N 3.18Å |
| 77 | E | 97 | Very high | 95.6 | Very high | 98 Ų | 98 | 58.8 Ų | 58.8 | 46% | 0.458 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63 | -48.2 | 176.7 | -179.3 | -177.8 | 173.5 | 0 | 0 | 111.5 | Y40 V74 Y79 D80 K81 | Y40-E77 HydrophobicContact CE2-CG 4.38Å; Y40-E77 WeakPolarHBondContact CE2-OE1 3.29Å; V74-E77 WeakPolarHBondContact O-CB 3.49Å; V74-E77 PolarHBondContact O-N 3.09Å; V74-E77 VanDerWaalsContact O-N 3.11Å; E77-Y79 VanDerWaalsContact C-N 3.34Å; E77-Y79 PolarHBondContact O-N 2.87Å; E77-D80 PolarHBondContact O-N 2.91Å; E77-K81 HydrophobicContact CG-CD 4.34Å; E77-K81 WeakPolarHBondContact O-CG 3.49Å; E77-K81 PolarHBondContact O-N 3.09Å; E77-K81 VanDerWaalsContact O-N 3.14Å; E77-K81 VanDerWaalsContact OE1-CE 3.23Å; E77-K81 WeakPolarHBondContact OE1-CE 3.39Å |
| 78 | I | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -47.2 | 178.2 | -63 | 163.9 | 0 | 0 | 0 | 109.6 | I26 I28 Y40 F71 V74 A75 D80 K81 I82 F103 | I26-I78 HydrophobicContact CD1-CD1 4.13Å; I26-I78 HydrophobicContact CD1-CG2 4.02Å; I26-I78 HydrophobicContact CG2-CD1 4.29Å; I28-I78 HydrophobicContact CD1-CG2 3.96Å; Y40-I78 HydrophobicContact CE1-CD1 4.12Å; Y40-I78 HydrophobicContact CE1-CG1 3.6Å; Y40-I78 WeakPolarHBondContact OH-CG1 3.25Å; F71-I78 HydrophobicContact CE2-CD1 4.18Å; V74-I78 HydrophobicContact CB-CD1 4.08Å; V74-I78 HydrophobicContact CB-CG1 4.48Å; V74-I78 HydrophobicContact CG2-CD1 3.72Å; V74-I78 WeakPolarHBondContact O-CG1 3.32Å; V74-I78 PolarHBondContact O-N 2.9Å; A75-I78 PolarHBondContact O-N 3.34Å; I78-D80 PolarHBondContact O-N 3.07Å; I78-K81 PolarHBondContact O-N 2.85Å; I78-I82 HydrophobicContact CG2-CD1 4.19Å; I78-I82 WeakPolarHBondContact O-CG1 3.5Å; I78-I82 PolarHBondContact O-N 2.87Å; I78-I82 VanDerWaalsContact O-N 3.12Å; I78-F103 HydrophobicContact CB-CE1 4.29Å; I78-F103 HydrophobicContact CB-CZ 4.24Å; I78-F103 HydrophobicContact CG2-CE1 4.3Å; I78-F103 HydrophobicContact CG2-CZ 3.83Å |
| 79 | Y | 97.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 49.4 Ų | 49.4 | 25% | 0.247 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.5 | -47.7 | 178.2 | 175.2 | -97.6 | 0 | 0 | 0 | 112 | A75 Q76 E77 K81 I82 K83 I108 Y110 | A75-Y79 WeakPolarHBondContact O-CB 3.44Å; A75-Y79 PolarHBondContact O-N 3.4Å; Q76-Y79 PolarHBondContact O-N 3.48Å; E77-Y79 VanDerWaalsContact C-N 3.34Å; E77-Y79 PolarHBondContact O-N 2.87Å; Y79-K81 PolarHBondContact O-N 2.92Å; Y79-I82 PolarHBondContact O-N 3.21Å; Y79-K83 HydrophobicContact CD1-CB 4.49Å; Y79-K83 HydrophobicContact CD1-CD 4.26Å; Y79-K83 HydrophobicContact CD2-CB 4.49Å; Y79-K83 HydrophobicContact CE1-CB 4.15Å; Y79-K83 HydrophobicContact CE1-CD 3.81Å; Y79-K83 HydrophobicContact CE2-CB 4.17Å; Y79-K83 VanDerWaalsContact O-CB 3.27Å; Y79-K83 WeakPolarHBondContact O-CB 3.38Å; Y79-K83 PolarHBondContact O-N 3.25Å; Y79-I108 HydrophobicContact CD1-CG2 4.37Å; Y79-I108 HydrophobicContact CD2-CG2 3.29Å; Y79-I108 HydrophobicContact CE2-CG2 3.71Å; Y79-I108 HydrophobicContact CG-CG2 3.66Å; Y79-Y110 HydrophobicContact CD2-CD2 4.05Å; Y79-Y110 HydrophobicContact CE2-CD2 4.04Å |
| 80 | D | 96.1 | Very high | 96.2 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.5 | -30.8 | -179.1 | -79 | -40.8 | 0 | 0 | 0 | 113 | Q76 E77 I78 K83 | Q76-D80 PolarHBondContact NE2-OD1 3.4Å; Q76-D80 PolarHBondContact NE2-OD2 3.47Å; Q76-D80 WeakPolarHBondContact O-CB 3.34Å; Q76-D80 PolarHBondContact O-N 3.18Å; E77-D80 PolarHBondContact O-N 2.91Å; I78-D80 PolarHBondContact O-N 3.07Å; D80-K83 IonicContact OD1-NZ 2.76Å; D80-K83 PolarHBondContact OD1-NZ 3.26Å |
| 81 | K | 95.7 | Very high | 96 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -74 | -34.6 | 175 | -70.4 | 173.6 | -179.8 | -75.1 | 0 | 113.5 | F30 Y40 E77 I78 Y79 C85 | F30-K81 HydrophobicContact CE1-CB 4.39Å; F30-K81 HydrophobicContact CZ-CB 3.83Å; Y40-K81 HydrophobicContact CD2-CD 3.8Å; Y40-K81 HydrophobicContact CE2-CD 4.36Å; Y40-K81 HydrophobicContact CG-CD 4.16Å; E77-K81 HydrophobicContact CG-CD 4.34Å; E77-K81 WeakPolarHBondContact O-CG 3.49Å; E77-K81 PolarHBondContact O-N 3.09Å; E77-K81 VanDerWaalsContact O-N 3.14Å; E77-K81 VanDerWaalsContact OE1-CE 3.23Å; E77-K81 WeakPolarHBondContact OE1-CE 3.39Å; I78-K81 PolarHBondContact O-N 2.85Å; Y79-K81 PolarHBondContact O-N 2.92Å; K81-C85 PolarHBondContact O-SG 2.87Å |
| 82 | I | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -106.3 | -13.8 | -171.9 | 73.7 | 179.3 | 0 | 0 | 0 | 115.4 | A7 I28 F30 I78 Y79 D84 C85 F103 Y110 | A7-I82 HydrophobicContact CB-CB 4.3Å; A7-I82 HydrophobicContact CB-CG2 3.94Å; I28-I82 HydrophobicContact CD1-CG2 3.93Å; I28-I82 HydrophobicContact CG2-CG2 4.42Å; F30-I82 HydrophobicContact CE1-CG2 4.16Å; F30-I82 HydrophobicContact CZ-CG2 4.26Å; I78-I82 HydrophobicContact CG2-CD1 4.19Å; I78-I82 WeakPolarHBondContact O-CG1 3.5Å; I78-I82 PolarHBondContact O-N 2.87Å; I78-I82 VanDerWaalsContact O-N 3.12Å; Y79-I82 PolarHBondContact O-N 3.21Å; I82-D84 PolarHBondContact O-N 2.79Å; I82-D84 VanDerWaalsContact O-N 3.1Å; I82-C85 WeakPolarHBondContact O-CB 3.49Å; I82-C85 PolarHBondContact O-N 3.19Å; I82-F103 HydrophobicContact CD1-CE2 3.94Å; I82-F103 HydrophobicContact CD1-CZ 4.06Å; I82-Y110 HydrophobicContact CD1-CE1 4.01Å; I82-Y110 HydrophobicContact CD1-CE2 4.07Å; I82-Y110 HydrophobicContact CG1-CE2 3.83Å |
| 83 | K | 94.6 | Very high | 96 | Very high | 80 Ų | 80 | 46.4 Ų | 46.4 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.4 | -172.8 | 65.1 | -175.1 | 177.3 | -165.8 | 0 | 115.5 | Y79 D80 | Y79-K83 HydrophobicContact CD1-CB 4.49Å; Y79-K83 HydrophobicContact CD1-CD 4.26Å; Y79-K83 HydrophobicContact CD2-CB 4.49Å; Y79-K83 HydrophobicContact CE1-CB 4.15Å; Y79-K83 HydrophobicContact CE1-CD 3.81Å; Y79-K83 HydrophobicContact CE2-CB 4.17Å; Y79-K83 VanDerWaalsContact O-CB 3.27Å; Y79-K83 WeakPolarHBondContact O-CB 3.38Å; Y79-K83 PolarHBondContact O-N 3.25Å; D80-K83 IonicContact OD1-NZ 2.76Å; D80-K83 PolarHBondContact OD1-NZ 3.26Å |
| 84 | D | 93.7 | Very high | 95.9 | Very high | 121 Ų | 121 | 42.8 Ų | 42.8 | 65% | 0.647 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106 | 6 | -179.5 | -69.3 | -53.9 | 0 | 0 | 0 | 113.2 | I82 | I82-D84 PolarHBondContact O-N 2.79Å; I82-D84 VanDerWaalsContact O-N 3.1Å |
| 85 | C | 96 | Very high | 95.8 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 11% | 0.108 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -91.9 | 158.5 | 179.8 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | T5 A7 K81 I82 | T5-C85 CarbonylContact O-C 3.57Å; T5-C85 VanDerWaalsContact O-CA 3.28Å; T5-C85 WeakPolarHBondContact O-CA 3.4Å; T5-C85 WeakPolarHBondContact O-CB 3.38Å; A7-C85 HydrophobicContact CB-CB 3.67Å; K81-C85 PolarHBondContact O-SG 2.87Å; I82-C85 WeakPolarHBondContact O-CB 3.49Å; I82-C85 PolarHBondContact O-N 3.19Å |
| 86 | I | 96.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 10% | 0.097 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 123.3 | 163.4 | -58.6 | 179 | 0 | 0 | 0 | 106.8 | A4 T5 Y6 A7 V88 K114 I116 | A4-I86 HydrophobicContact CB-CD1 3.66Å; A4-I86 HydrophobicContact CB-CG1 4.31Å; T5-I86 PolarHBondContact O-N 2.88Å; Y6-I86 HydrophobicContact CD1-CB 3.91Å; Y6-I86 HydrophobicContact CD1-CD1 4.11Å; Y6-I86 HydrophobicContact CD1-CG2 4.04Å; Y6-I86 HydrophobicContact CE1-CB 4.35Å; Y6-I86 HydrophobicContact CE1-CD1 3.71Å; Y6-I86 HydrophobicContact CE1-CG2 4.34Å; A7-I86 PolarHBondContact N-O 3.11Å; I86-V88 HydrophobicContact CG2-CG2 4.23Å; I86-K114 HydrophobicContact CD1-CD 4.3Å; I86-K114 HydrophobicContact CG1-CB 4.19Å; I86-K114 HydrophobicContact CG1-CD 4.45Å; I86-K114 HydrophobicContact CG2-CB 3.96Å; I86-I116 HydrophobicContact CG2-CD1 3.57Å; I86-I116 HydrophobicContact CG2-CG1 3.88Å |
| 87 | F | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 125.5 | -179.9 | -170.3 | -88.5 | 0 | 0 | 0 | 109.7 | V9 A89 V92 D95 L96 I99 Y110 P112 K114 V115 I116 | V9-F87 HydrophobicContact CB-CE2 4.01Å; V9-F87 HydrophobicContact CB-CZ 3.9Å; V9-F87 HydrophobicContact CG1-CE2 4.24Å; V9-F87 HydrophobicContact CG1-CZ 4.05Å; V9-F87 HydrophobicContact CG2-CD2 4.1Å; V9-F87 HydrophobicContact CG2-CE2 3.6Å; V9-F87 HydrophobicContact CG2-CZ 4.03Å; F87-A89 HydrophobicContact CE1-CB 4.31Å; F87-V92 HydrophobicContact CD1-CG2 3.64Å; F87-V92 HydrophobicContact CE1-CG2 3.66Å; F87-D95 HydrophobicContact CE1-CB 4.37Å; F87-D95 HydrophobicContact CZ-CB 4.22Å; F87-L96 HydrophobicContact CD1-CB 4.26Å; F87-L96 HydrophobicContact CD1-CD1 3.88Å; F87-L96 HydrophobicContact CE1-CB 3.72Å; F87-L96 HydrophobicContact CE1-CD1 3.93Å; F87-L96 HydrophobicContact CE1-CG 4.37Å; F87-L96 HydrophobicContact CG-CD1 4.17Å; F87-L96 HydrophobicContact CZ-CB 4.31Å; F87-L96 HydrophobicContact CZ-CD1 4.23Å; F87-I99 HydrophobicContact CE2-CD1 3.86Å; F87-I99 HydrophobicContact CZ-CD1 3.98Å; F87-Y110 HydrophobicContact CD2-CE1 4.04Å; F87-Y110 VanDerWaalsContact CD2-OH 3.25Å; F87-Y110 WeakPolarHBondContact CD2-OH 3.48Å; F87-Y110 HydrophobicContact CE2-CE1 4.28Å; F87-P112 HydrophobicContact CB-CB 3.81Å; F87-P112 HydrophobicContact CB-CG 4.06Å; F87-K114 PolarHBondContact N-O 3.5Å; F87-K114 VanDerWaalsContact N-O 3.08Å; F87-V115 CarbonylContact O-C 3.55Å; F87-V115 WeakPolarHBondContact O-CA 3.4Å; F87-I116 PolarHBondContact O-N 3.1Å |
| 88 | V | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.5 | -176.7 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | Y6 A7 V8 V9 I86 I116 T118 M162 | Y6-V88 HydrophobicContact CD1-CG2 3.8Å; Y6-V88 HydrophobicContact CG-CG2 4.35Å; A7-V88 PolarHBondContact O-N 2.97Å; V8-V88 CarbonylContact C-O 3.25Å; V8-V88 WeakPolarHBondContact CA-O 3.08Å; V8-V88 HydrophobicContact CB-CB 4.5Å; V8-V88 HydrophobicContact CG1-CG1 4.48Å; V8-V88 HydrophobicContact CG2-CB 4.09Å; V8-V88 HydrophobicContact CG2-CG1 4.18Å; V9-V88 PolarHBondContact N-O 2.79Å; I86-V88 HydrophobicContact CG2-CG2 4.23Å; V88-I116 WeakPolarHBondContact CA-O 3.49Å; V88-I116 HydrophobicContact CG1-CB 4.37Å; V88-I116 HydrophobicContact CG1-CG2 4.22Å; V88-I116 HydrophobicContact CG2-CB 4.08Å; V88-I116 HydrophobicContact CG2-CD1 4.24Å; V88-T118 HydrophobicContact CG1-CG2 3.31Å; V88-M162 HydrophobicContact CG1-SD 3.83Å; V88-M162 HydrophobicContact CG2-SD 4.29Å |
| 89 | A | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 172.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V9 F87 V92 D95 I116 T118 | V9-A89 WeakPolarHBondContact O-CB 3.47Å; F87-A89 HydrophobicContact CE1-CB 4.31Å; A89-V92 HydrophobicContact CB-CB 4.15Å; A89-V92 HydrophobicContact CB-CG2 3.94Å; A89-D95 HydrophobicContact CB-CB 3.86Å; A89-D95 WeakPolarHBondContact CB-OD2 3.32Å; A89-I116 PolarHBondContact N-O 2.91Å; A89-T118 PolarHBondContact O-N 2.98Å; A89-T118 PolarHBondContact O-OG1 3.14Å |
| 90 | H | 94.6 | Very high | 95.8 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 18% | 0.176 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 113.7 | 174.8 | -170.1 | 73 | 0 | 0 | 0 | 109.6 | T118 F122 Y132 T158 | H90-T118 WeakPolarHBondContact CA-OG1 3.14Å; H90-T118 WeakPolarHBondContact CB-OG1 3.49Å; H90-T118 PolarHBondContact ND1-OG1 3.24Å; H90-F122 AromaticContact CE1-CD2 3.8Å; H90-F122 AromaticContact ND1-CD2 3.73Å; H90-F122 AromaticContact ND1-CE2 3.63Å; H90-Y132 PolarHBondContact CE1-O 2.78Å; H90-Y132 PolarHBondContact NE2-O 3.04Å; H90-Y132 VanDerWaalsContact NE2-O 3.08Å; H90-T158 HydrophobicContact CB-CG2 4.38Å |
| 91 | N | 92.2 | Very high | 95.8 | Very high | 79 Ų | 79 | 36 Ų | 36 | 42% | 0.422 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 57 | -165.7 | -176.7 | 50.4 | 0 | 0 | 0 | 111.9 | D93 F94 D117 L119 | N91-D93 PolarHBondContact O-N 2.91Å; N91-F94 PolarHBondContact O-N 2.88Å; N91-F94 VanDerWaalsContact O-N 3.12Å; N91-D117 WeakPolarHBondContact CA-OD1 3.19Å; N91-D117 PolarHBondContact N-OD1 2.73Å; N91-L119 HydrophobicContact CB-CD2 4.33Å |
| 92 | V | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -21.1 | -164.5 | 73.2 | 0 | 0 | 0 | 0 | 117.1 | F87 A89 F94 L96 V115 D117 Y189 | F87-V92 HydrophobicContact CD1-CG2 3.64Å; F87-V92 HydrophobicContact CE1-CG2 3.66Å; A89-V92 HydrophobicContact CB-CB 4.15Å; A89-V92 HydrophobicContact CB-CG2 3.94Å; V92-F94 PolarHBondContact O-N 2.84Å; V92-L96 HydrophobicContact CG2-CB 4.3Å; V92-L96 WeakPolarHBondContact O-CB 3.47Å; V92-L96 PolarHBondContact O-N 2.95Å; V92-V115 HydrophobicContact CB-CG1 4.4Å; V92-V115 HydrophobicContact CG1-CG1 3.87Å; V92-V115 HydrophobicContact CG2-CG1 3.6Å; V92-D117 HydrophobicContact CB-CB 4.25Å; V92-D117 HydrophobicContact CG1-CB 3.73Å; V92-Y189 HydrophobicContact CG1-CD1 4.31Å; V92-Y189 HydrophobicContact CG1-CD2 4Å; V92-Y189 HydrophobicContact CG1-CE1 3.72Å; V92-Y189 HydrophobicContact CG1-CE2 3.38Å; V92-Y189 HydrophobicContact CG1-CG 4.43Å; V92-Y189 WeakPolarHBondContact CG1-OH 3.27Å |
| 93 | D | 94.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 33.4 Ų | 33.4 | 37% | 0.369 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.1 | -35.5 | 175.6 | -84.4 | -52.1 | 0 | 0 | 0 | 112 | N91 N97 Y189 | N91-D93 PolarHBondContact O-N 2.91Å; D93-N97 VanDerWaalsContact O-CB 3.26Å; D93-N97 WeakPolarHBondContact O-CB 3.27Å; D93-N97 PolarHBondContact O-N 3.07Å; D93-N97 PolarHBondContact O-ND2 2.86Å; D93-Y189 PolarHBondContact OD1-OH 3.35Å; D93-Y189 PolarHBondContact OD2-OH 3.02Å |
| 94 | F | 93.9 | Very high | 95.9 | Very high | 59 Ų | 59 | 37 Ų | 37 | 26% | 0.259 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.4 | -64.7 | 179.2 | 180 | -98.8 | 0 | 0 | 0 | 110.8 | T13 N91 V92 L96 N97 F98 | T13-F94 HydrophobicContact CG2-CE1 4.27Å; T13-F94 HydrophobicContact CG2-CZ 3.91Å; N91-F94 PolarHBondContact O-N 2.88Å; N91-F94 VanDerWaalsContact O-N 3.12Å; V92-F94 PolarHBondContact O-N 2.84Å; F94-L96 VanDerWaalsContact C-N 3.34Å; F94-L96 PolarHBondContact O-N 2.94Å; F94-N97 PolarHBondContact O-N 3.47Å; F94-F98 HydrophobicContact CD2-CD2 4.03Å; F94-F98 AromaticContact CD2-CE2 3.82Å; F94-F98 HydrophobicContact CD2-CE2 3.82Å; F94-F98 HydrophobicContact CE1-CD2 4.35Å; F94-F98 AromaticContact CE2-CD2 3.84Å; F94-F98 HydrophobicContact CE2-CD2 3.84Å; F94-F98 AromaticContact CE2-CE2 3.36Å; F94-F98 HydrophobicContact CE2-CE2 3.36Å; F94-F98 HydrophobicContact CE2-CZ 4.26Å; F94-F98 HydrophobicContact CG-CD2 4.39Å; F94-F98 HydrophobicContact CZ-CD2 4Å; F94-F98 AromaticContact CZ-CE2 3.79Å; F94-F98 HydrophobicContact CZ-CE2 3.79Å; F94-F98 WeakPolarHBondContact O-CD2 3.24Å; F94-F98 PolarHBondContact O-N 2.95Å; F94-F98 VanDerWaalsContact O-N 3.14Å |
| 95 | D | 95.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | -174.1 | -53.8 | -94.8 | 0 | 0 | 0 | 112.5 | V9 D10 L11 F87 A89 N97 F98 I99 | V9-D95 HydrophobicContact CG1-CB 4.48Å; D10-D95 WeakPolarHBondContact CA-OD1 3.46Å; L11-D95 HydrophobicContact CD1-CB 4.02Å; L11-D95 WeakPolarHBondContact CD1-O 3.42Å; L11-D95 HydrophobicContact CG-CB 4.22Å; L11-D95 PolarHBondContact N-OD1 3.44Å; L11-D95 VanDerWaalsContact N-OD1 3.09Å; F87-D95 HydrophobicContact CE1-CB 4.37Å; F87-D95 HydrophobicContact CZ-CB 4.22Å; A89-D95 HydrophobicContact CB-CB 3.86Å; A89-D95 WeakPolarHBondContact CB-OD2 3.32Å; D95-N97 VanDerWaalsContact C-N 3.32Å; D95-N97 PolarHBondContact O-N 2.79Å; D95-F98 PolarHBondContact O-N 2.97Å; D95-I99 WeakPolarHBondContact O-CB 3.44Å; D95-I99 PolarHBondContact O-N 3.25Å |
| 96 | L | 97 | Very high | 95.9 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.4 | -39.4 | -177.7 | -177.8 | 58.1 | 0 | 0 | 0 | 111.7 | F87 V92 F94 K100 Y110 P112 V115 | F87-L96 HydrophobicContact CD1-CB 4.26Å; F87-L96 HydrophobicContact CD1-CD1 3.88Å; F87-L96 HydrophobicContact CE1-CB 3.72Å; F87-L96 HydrophobicContact CE1-CD1 3.93Å; F87-L96 HydrophobicContact CE1-CG 4.37Å; F87-L96 HydrophobicContact CG-CD1 4.17Å; F87-L96 HydrophobicContact CZ-CB 4.31Å; F87-L96 HydrophobicContact CZ-CD1 4.23Å; V92-L96 HydrophobicContact CG2-CB 4.3Å; V92-L96 WeakPolarHBondContact O-CB 3.47Å; V92-L96 PolarHBondContact O-N 2.95Å; F94-L96 VanDerWaalsContact C-N 3.34Å; F94-L96 PolarHBondContact O-N 2.94Å; L96-K100 HydrophobicContact CD1-CD 4.22Å; L96-K100 HydrophobicContact CD1-CG 4.34Å; L96-K100 HydrophobicContact CG-CD 4.12Å; L96-K100 VanDerWaalsContact O-CB 3.29Å; L96-K100 WeakPolarHBondContact O-CB 3.48Å; L96-K100 WeakPolarHBondContact O-CD 3.27Å; L96-K100 WeakPolarHBondContact O-CG 3.39Å; L96-K100 PolarHBondContact O-N 3.14Å; L96-Y110 HydrophobicContact CD1-CE1 4.26Å; L96-P112 HydrophobicContact CD1-CG 3.79Å; L96-V115 HydrophobicContact CD2-CG1 3.98Å; L96-V115 HydrophobicContact CD2-CG2 3.9Å |
| 97 | N | 96.4 | Very high | 95.8 | Very high | 68 Ų | 68 | 43.6 Ų | 43.6 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -73.4 | -42.1 | -179.1 | -72.8 | -33.4 | 0 | 0 | 0 | 111.3 | L18 D93 F94 D95 K100 K101 | L18-N97 HydrophobicContact CD1-CB 4.23Å; L18-N97 WeakPolarHBondContact CD1-O 3.21Å; L18-N97 HydrophobicContact CD2-CB 4.14Å; D93-N97 VanDerWaalsContact O-CB 3.26Å; D93-N97 WeakPolarHBondContact O-CB 3.27Å; D93-N97 PolarHBondContact O-N 3.07Å; D93-N97 PolarHBondContact O-ND2 2.86Å; F94-N97 PolarHBondContact O-N 3.47Å; D95-N97 VanDerWaalsContact C-N 3.32Å; D95-N97 PolarHBondContact O-N 2.79Å; N97-K100 PolarHBondContact O-N 3.2Å; N97-K101 PolarHBondContact O-N 3.19Å |
| 98 | F | 96.7 | Very high | 95.7 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -47.8 | 174.9 | -90.2 | -83.1 | 0 | 0 | 0 | 112.1 | L11 T13 L18 D21 I23 F94 D95 K100 K101 A102 | L11-F98 HydrophobicContact CD1-CB 3.78Å; T13-F98 HydrophobicContact CG2-CD1 3.8Å; T13-F98 HydrophobicContact CG2-CD2 4.36Å; T13-F98 HydrophobicContact CG2-CE1 3.82Å; T13-F98 HydrophobicContact CG2-CE2 4.39Å; T13-F98 HydrophobicContact CG2-CG 4.07Å; T13-F98 HydrophobicContact CG2-CZ 4.12Å; L18-F98 HydrophobicContact CD1-CB 4.41Å; L18-F98 HydrophobicContact CD1-CD1 4.06Å; L18-F98 HydrophobicContact CD1-CD2 4.1Å; L18-F98 HydrophobicContact CD1-CE1 4.35Å; L18-F98 HydrophobicContact CD1-CE2 4.37Å; L18-F98 HydrophobicContact CD1-CG 3.94Å; D21-F98 HydrophobicContact CB-CE1 4.07Å; D21-F98 HydrophobicContact CB-CZ 4.25Å; I23-F98 HydrophobicContact CD1-CB 4.31Å; I23-F98 HydrophobicContact CG1-CB 4.3Å; I23-F98 HydrophobicContact CG1-CD1 4.35Å; F94-F98 HydrophobicContact CD2-CD2 4.03Å; F94-F98 AromaticContact CD2-CE2 3.82Å; F94-F98 HydrophobicContact CD2-CE2 3.82Å; F94-F98 HydrophobicContact CE1-CD2 4.35Å; F94-F98 AromaticContact CE2-CD2 3.84Å; F94-F98 HydrophobicContact CE2-CD2 3.84Å; F94-F98 AromaticContact CE2-CE2 3.36Å; F94-F98 HydrophobicContact CE2-CE2 3.36Å; F94-F98 HydrophobicContact CE2-CZ 4.26Å; F94-F98 HydrophobicContact CG-CD2 4.39Å; F94-F98 HydrophobicContact CZ-CD2 4Å; F94-F98 AromaticContact CZ-CE2 3.79Å; F94-F98 HydrophobicContact CZ-CE2 3.79Å; F94-F98 WeakPolarHBondContact O-CD2 3.24Å; F94-F98 PolarHBondContact O-N 2.95Å; F94-F98 VanDerWaalsContact O-N 3.14Å; D95-F98 PolarHBondContact O-N 2.97Å; F98-K100 PolarHBondContact O-N 3.45Å; F98-K101 PolarHBondContact O-N 3.41Å; F98-A102 WeakPolarHBondContact O-CB 3.46Å; F98-A102 PolarHBondContact O-N 3.2Å |
| 99 | I | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 176.6 | -81.4 | 175 | 0 | 0 | 0 | 112 | V9 L11 I23 I26 F87 D95 K101 A102 F103 Y110 | V9-I99 HydrophobicContact CG1-CD1 3.53Å; L11-I99 HydrophobicContact CD1-CD1 4.15Å; L11-I99 HydrophobicContact CD1-CG1 3.78Å; L11-I99 HydrophobicContact CD2-CD1 4.12Å; L11-I99 HydrophobicContact CD2-CG1 4.22Å; L11-I99 HydrophobicContact CG-CD1 4.47Å; I23-I99 HydrophobicContact CD1-CG1 4.33Å; I26-I99 HydrophobicContact CD1-CD1 4.09Å; F87-I99 HydrophobicContact CE2-CD1 3.86Å; F87-I99 HydrophobicContact CZ-CD1 3.98Å; D95-I99 WeakPolarHBondContact O-CB 3.44Å; D95-I99 PolarHBondContact O-N 3.25Å; I99-K101 VanDerWaalsContact C-N 3.32Å; I99-K101 PolarHBondContact O-N 3.38Å; I99-A102 PolarHBondContact O-N 3.34Å; I99-F103 HydrophobicContact CG2-CD2 3.43Å; I99-F103 VanDerWaalsContact CG2-CD2 3.43Å; I99-F103 HydrophobicContact CG2-CE2 3.26Å; I99-F103 HydrophobicContact CG2-CG 4.44Å; I99-F103 HydrophobicContact CG2-CZ 4.11Å; I99-F103 WeakPolarHBondContact O-CB 3.45Å; I99-F103 WeakPolarHBondContact O-CD2 3.48Å; I99-F103 WeakPolarHBondContact O-CG 3.46Å; I99-F103 PolarHBondContact O-N 3.01Å; I99-Y110 HydrophobicContact CG2-CD1 3.93Å; I99-Y110 HydrophobicContact CG2-CE1 4.1Å |
| 100 | K | 96.8 | Very high | 95.4 | Very high | 74 Ų | 74 | 51.8 Ų | 51.8 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 177.1 | -81.9 | 172.2 | 178.1 | 165.9 | 0 | 111.9 | L96 N97 F98 K104 Y110 | L96-K100 HydrophobicContact CD1-CD 4.22Å; L96-K100 HydrophobicContact CD1-CG 4.34Å; L96-K100 HydrophobicContact CG-CD 4.12Å; L96-K100 VanDerWaalsContact O-CB 3.29Å; L96-K100 WeakPolarHBondContact O-CB 3.48Å; L96-K100 WeakPolarHBondContact O-CD 3.27Å; L96-K100 WeakPolarHBondContact O-CG 3.39Å; L96-K100 PolarHBondContact O-N 3.14Å; N97-K100 PolarHBondContact O-N 3.2Å; F98-K100 PolarHBondContact O-N 3.45Å; K100-K104 VanDerWaalsContact O-CB 3.28Å; K100-K104 WeakPolarHBondContact O-CB 3.35Å; K100-K104 PolarHBondContact O-N 3.05Å; K100-Y110 HydrophobicContact CG-CD1 4.37Å |
| 101 | K | 95.6 | Very high | 95.4 | Very high | 42 Ų | 42 | 59.2 Ų | 59.2 | 18% | 0.183 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.8 | -53.9 | 175.4 | 177.3 | -175.4 | 164.3 | -172.6 | 0 | 110.4 | L18 D19 N97 F98 I99 F103 K104 D105 | L18-K101 HydrophobicContact CD1-CB 3.96Å; L18-K101 HydrophobicContact CD1-CD 4.06Å; L18-K101 HydrophobicContact CG-CD 4.09Å; L18-K101 WeakPolarHBondContact O-CD 3.4Å; L18-K101 VanDerWaalsContact O-CE 3.31Å; L18-K101 WeakPolarHBondContact O-CE 3.25Å; L18-K101 PolarHBondContact O-NZ 3.02Å; D19-K101 PolarHBondContact O-NZ 3.31Å; N97-K101 PolarHBondContact O-N 3.19Å; F98-K101 PolarHBondContact O-N 3.41Å; I99-K101 VanDerWaalsContact C-N 3.32Å; I99-K101 PolarHBondContact O-N 3.38Å; K101-F103 VanDerWaalsContact C-N 3.27Å; K101-F103 PolarHBondContact O-N 2.95Å; K101-K104 WeakPolarHBondContact O-CA 3.45Å; K101-K104 WeakPolarHBondContact O-CB 3.47Å; K101-K104 PolarHBondContact O-N 2.83Å; K101-D105 PolarHBondContact O-N 2.91Å |
| 102 | A | 95.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -38.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I23 F71 F98 I99 C106 | I23-A102 HydrophobicContact CD1-CB 3.81Å; F71-A102 HydrophobicContact CD1-CB 3.7Å; F71-A102 HydrophobicContact CD2-CB 4.18Å; F71-A102 VanDerWaalsContact CE1-C 3.44Å; F71-A102 HydrophobicContact CE1-CB 3.36Å; F71-A102 HydrophobicContact CE2-CB 3.87Å; F71-A102 HydrophobicContact CG-CB 4.1Å; F71-A102 HydrophobicContact CZ-CB 3.46Å; F71-A102 VanDerWaalsContact CZ-CB 3.46Å; F98-A102 WeakPolarHBondContact O-CB 3.46Å; F98-A102 PolarHBondContact O-N 3.2Å; I99-A102 PolarHBondContact O-N 3.34Å; A102-C106 PolarHBondContact O-N 3.02Å; A102-C106 PolarHBondContact O-SG 3.31Å |
| 103 | F | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 171.3 | -77.5 | -35.6 | 0 | 0 | 0 | 113.5 | F71 A75 I78 I82 I99 K101 D105 C106 N107 I108 Y110 | F71-F103 AromaticContact CE1-CD1 3.86Å; F71-F103 HydrophobicContact CE1-CD1 3.86Å; F71-F103 HydrophobicContact CE1-CE1 4.23Å; F71-F103 HydrophobicContact CZ-CD1 4.02Å; F71-F103 HydrophobicContact CZ-CE1 4.04Å; A75-F103 HydrophobicContact CB-CD1 4.27Å; A75-F103 HydrophobicContact CB-CE1 4.41Å; A75-F103 VanDerWaalsContact O-CE1 3.25Å; A75-F103 WeakPolarHBondContact O-CE1 3.31Å; I78-F103 HydrophobicContact CB-CE1 4.29Å; I78-F103 HydrophobicContact CB-CZ 4.24Å; I78-F103 HydrophobicContact CG2-CE1 4.3Å; I78-F103 HydrophobicContact CG2-CZ 3.83Å; I82-F103 HydrophobicContact CD1-CE2 3.94Å; I82-F103 HydrophobicContact CD1-CZ 4.06Å; I99-F103 HydrophobicContact CG2-CD2 3.43Å; I99-F103 VanDerWaalsContact CG2-CD2 3.43Å; I99-F103 HydrophobicContact CG2-CE2 3.26Å; I99-F103 HydrophobicContact CG2-CG 4.44Å; I99-F103 HydrophobicContact CG2-CZ 4.11Å; I99-F103 WeakPolarHBondContact O-CB 3.45Å; I99-F103 WeakPolarHBondContact O-CD2 3.48Å; I99-F103 WeakPolarHBondContact O-CG 3.46Å; I99-F103 PolarHBondContact O-N 3.01Å; K101-F103 VanDerWaalsContact C-N 3.27Å; K101-F103 PolarHBondContact O-N 2.95Å; F103-D105 VanDerWaalsContact C-N 3.27Å; F103-D105 PolarHBondContact O-N 3.03Å; F103-C106 CarbonylContact O-C 3.59Å; F103-C106 VanDerWaalsContact O-C 3.32Å; F103-C106 WeakPolarHBondContact O-CA 3.14Å; F103-C106 WeakPolarHBondContact O-CB 3.1Å; F103-C106 PolarHBondContact O-N 3.2Å; F103-N107 PolarHBondContact O-N 3.07Å; F103-I108 CarbonylContact C-O 3.32Å; F103-I108 VanDerWaalsContact C-O 3.25Å; F103-I108 HydrophobicContact CB-CB 3.95Å; F103-I108 HydrophobicContact CB-CG2 4.12Å; F103-I108 WeakPolarHBondContact CB-O 3.31Å; F103-I108 HydrophobicContact CD1-CB 4.24Å; F103-I108 HydrophobicContact CD1-CD1 4.15Å; F103-I108 HydrophobicContact CD1-CG2 4.12Å; F103-I108 HydrophobicContact CG-CB 4.3Å; F103-I108 HydrophobicContact CG-CG2 4.08Å; F103-I108 PolarHBondContact O-N 3Å; F103-Y110 AromaticContact CD2-CD1 3.83Å; F103-Y110 HydrophobicContact CD2-CD1 3.83Å; F103-Y110 AromaticContact CD2-CG 3.69Å; F103-Y110 HydrophobicContact CD2-CG 3.69Å; F103-Y110 AromaticContact CE2-CD1 3.78Å; F103-Y110 HydrophobicContact CE2-CD1 3.78Å; F103-Y110 HydrophobicContact CE2-CD2 4.22Å; F103-Y110 HydrophobicContact CE2-CE1 4.37Å; F103-Y110 AromaticContact CE2-CG 3.69Å; F103-Y110 HydrophobicContact CE2-CG 3.69Å |
| 104 | K | 95.6 | Very high | 95.3 | Very high | 155 Ų | 155 | 64.8 Ų | 64.8 | 67% | 0.674 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.1 | -40.7 | 177.4 | -178.8 | -173.6 | 172.7 | -165.3 | 0 | 111.2 | K100 K101 C106 N107 I108 | K100-K104 VanDerWaalsContact O-CB 3.28Å; K100-K104 WeakPolarHBondContact O-CB 3.35Å; K100-K104 PolarHBondContact O-N 3.05Å; K101-K104 WeakPolarHBondContact O-CA 3.45Å; K101-K104 WeakPolarHBondContact O-CB 3.47Å; K101-K104 PolarHBondContact O-N 2.83Å; K104-C106 PolarHBondContact O-N 2.81Å; K104-N107 PolarHBondContact O-N 3.45Å; K104-I108 PolarHBondContact N-O 2.91Å |
| 105 | D | 94.1 | Very high | 95.4 | Very high | 105 Ų | 105 | 62.7 Ų | 62.7 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.7 | -22.6 | 176.6 | -63 | -19.9 | 0 | 0 | 0 | 112.1 | K101 F103 | K101-D105 PolarHBondContact O-N 2.91Å; F103-D105 VanDerWaalsContact C-N 3.27Å; F103-D105 PolarHBondContact O-N 3.03Å |
| 106 | C | 94.8 | Very high | 95.5 | Very high | 33 Ų | 33 | 62.6 Ų | 62.6 | 22% | 0.223 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 12.4 | 172 | -58.2 | 0 | 0 | 0 | 0 | 113.8 | N72 A75 A102 F103 K104 I108 | N72-C106 VanDerWaalsContact CA-SG 3.53Å; A75-C106 HydrophobicContact CB-CB 3.92Å; A102-C106 PolarHBondContact O-N 3.02Å; A102-C106 PolarHBondContact O-SG 3.31Å; F103-C106 CarbonylContact O-C 3.59Å; F103-C106 VanDerWaalsContact O-C 3.32Å; F103-C106 WeakPolarHBondContact O-CA 3.14Å; F103-C106 WeakPolarHBondContact O-CB 3.1Å; F103-C106 PolarHBondContact O-N 3.2Å; K104-C106 PolarHBondContact O-N 2.81Å; C106-I108 HydrophobicContact CB-CD1 4.42Å; C106-I108 HydrophobicContact CB-CG1 4.49Å; C106-I108 PolarHBondContact O-N 3.08Å |
| 107 | N | 95.1 | Very high | 95.5 | Very high | 158 Ų | 158 | 62.6 Ų | 62.6 | 85% | 0.845 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 23.3 | -174.7 | -58.2 | -62.7 | 0 | 0 | 0 | 115 | F103 K104 | F103-N107 PolarHBondContact O-N 3.07Å; K104-N107 PolarHBondContact O-N 3.45Å |
| 108 | I | 96.2 | Very high | 95.5 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 11% | 0.108 | 28% | 0.278 | C | S | . | . | trans | -99.1 | 122.5 | 175.3 | -63.2 | 173.7 | 0 | 0 | 0 | 108.8 | A75 Y79 F103 K104 C106 Y110 | A75-I108 HydrophobicContact CB-CD1 3.86Å; Y79-I108 HydrophobicContact CD1-CG2 4.37Å; Y79-I108 HydrophobicContact CD2-CG2 3.29Å; Y79-I108 HydrophobicContact CE2-CG2 3.71Å; Y79-I108 HydrophobicContact CG-CG2 3.66Å; F103-I108 CarbonylContact C-O 3.32Å; F103-I108 VanDerWaalsContact C-O 3.25Å; F103-I108 HydrophobicContact CB-CB 3.95Å; F103-I108 HydrophobicContact CB-CG2 4.12Å; F103-I108 WeakPolarHBondContact CB-O 3.31Å; F103-I108 HydrophobicContact CD1-CB 4.24Å; F103-I108 HydrophobicContact CD1-CD1 4.15Å; F103-I108 HydrophobicContact CD1-CG2 4.12Å; F103-I108 HydrophobicContact CG-CB 4.3Å; F103-I108 HydrophobicContact CG-CG2 4.08Å; F103-I108 PolarHBondContact O-N 3Å; K104-I108 PolarHBondContact N-O 2.91Å; C106-I108 HydrophobicContact CB-CD1 4.42Å; C106-I108 HydrophobicContact CB-CG1 4.49Å; C106-I108 PolarHBondContact O-N 3.08Å; I108-Y110 PolarHBondContact O-N 3.41Å | ||
| 109 | Q | 93.7 | Very high | 95.5 | Very high | 138 Ų | 138 | 60.5 Ų | 60.5 | 65% | 0.645 | 29% | 0.285 | S | S | * | . | trans | -90.5 | 105.1 | 174.2 | -169.4 | 177.5 | 18.1 | 0 | 0 | 110.4 | ||||
| 110 | Y | 95.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | trans | -105.1 | 120.3 | 177.6 | -176.9 | -121.1 | 0 | 0 | 0 | 112.2 | Y79 I82 F87 L96 I99 K100 F103 I108 P112 | Y79-Y110 HydrophobicContact CD2-CD2 4.05Å; Y79-Y110 HydrophobicContact CE2-CD2 4.04Å; I82-Y110 HydrophobicContact CD1-CE1 4.01Å; I82-Y110 HydrophobicContact CD1-CE2 4.07Å; I82-Y110 HydrophobicContact CG1-CE2 3.83Å; F87-Y110 HydrophobicContact CD2-CE1 4.04Å; F87-Y110 VanDerWaalsContact CD2-OH 3.25Å; F87-Y110 WeakPolarHBondContact CD2-OH 3.48Å; F87-Y110 HydrophobicContact CE2-CE1 4.28Å; L96-Y110 HydrophobicContact CD1-CE1 4.26Å; I99-Y110 HydrophobicContact CG2-CD1 3.93Å; I99-Y110 HydrophobicContact CG2-CE1 4.1Å; K100-Y110 HydrophobicContact CG-CD1 4.37Å; F103-Y110 AromaticContact CD2-CD1 3.83Å; F103-Y110 HydrophobicContact CD2-CD1 3.83Å; F103-Y110 AromaticContact CD2-CG 3.69Å; F103-Y110 HydrophobicContact CD2-CG 3.69Å; F103-Y110 AromaticContact CE2-CD1 3.78Å; F103-Y110 HydrophobicContact CE2-CD1 3.78Å; F103-Y110 HydrophobicContact CE2-CD2 4.22Å; F103-Y110 HydrophobicContact CE2-CE1 4.37Å; F103-Y110 AromaticContact CE2-CG 3.69Å; F103-Y110 HydrophobicContact CE2-CG 3.69Å; I108-Y110 PolarHBondContact O-N 3.41Å; Y110-P112 HydrophobicContact CE1-CB 4.44Å; Y110-P112 HydrophobicContact CE1-CG 4.11Å; Y110-P112 HydrophobicContact CE2-CB 4.48Å | ||
| 111 | R | 93.5 | Very high | 95.4 | Very high | 193 Ų | 193 | 57.1 Ų | 57.1 | 73% | 0.728 | 27% | 0.27 | S | S | * | . | trans | -136.6 | 95.2 | 172.8 | -71.3 | -176.1 | 177.8 | 168.2 | -0.6 | 108.3 | K113 | R111-K113 PolarHBondContact O-N 2.9Š| ||
| 112 | P | 93.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 13% | 0.13 | 26% | 0.261 | C | S | . | . | trans | -60.3 | 139.7 | 176.9 | 24.2 | -31.5 | 0 | 0 | 0 | 109.7 | F87 L96 Y110 K114 V115 | F87-P112 HydrophobicContact CB-CB 3.81Å; F87-P112 HydrophobicContact CB-CG 4.06Å; L96-P112 HydrophobicContact CD1-CG 3.79Å; Y110-P112 HydrophobicContact CE1-CB 4.44Å; Y110-P112 HydrophobicContact CE1-CG 4.11Å; Y110-P112 HydrophobicContact CE2-CB 4.48Å; P112-K114 VanDerWaalsContact C-N 3.27Å; P112-K114 PolarHBondContact O-N 3.27Å; P112-V115 HydrophobicContact CB-CG2 4.27Å; P112-V115 HydrophobicContact CG-CG2 3.67Å | ||
| 113 | K | 91.8 | Very high | 95.5 | Very high | 175 Ų | 175 | 56.3 Ų | 56.3 | 76% | 0.761 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -68.2 | -31.1 | 179.3 | -70.1 | 177.1 | -176.9 | 160.7 | 0 | 112.3 | R111 | R111-K113 PolarHBondContact O-N 2.9Š|
| 114 | K | 95 | Very high | 95.5 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | trans | -139.8 | 141.9 | 178.8 | -61 | -171.2 | -174.7 | -159.3 | 0 | 109.8 | I86 F87 P112 D190 D193 | I86-K114 HydrophobicContact CD1-CD 4.3Å; I86-K114 HydrophobicContact CG1-CB 4.19Å; I86-K114 HydrophobicContact CG1-CD 4.45Å; I86-K114 HydrophobicContact CG2-CB 3.96Å; F87-K114 PolarHBondContact N-O 3.5Å; F87-K114 VanDerWaalsContact N-O 3.08Å; P112-K114 VanDerWaalsContact C-N 3.27Å; P112-K114 PolarHBondContact O-N 3.27Å; K114-D190 VanDerWaalsContact CA-OD2 3.24Å; K114-D190 WeakPolarHBondContact CA-OD2 3.37Å; K114-D190 HydrophobicContact CB-CB 4.09Å; K114-D190 HydrophobicContact CG-CB 4.35Å; K114-D193 HydrophobicContact CD-CB 4.49Å; K114-D193 WeakPolarHBondContact CD-OD2 3.34Å; K114-D193 WeakPolarHBondContact CE-OD2 3.28Å; K114-D193 IonicContact NZ-OD1 3.68Å; K114-D193 IonicContact NZ-OD2 2.7Å; K114-D193 PolarHBondContact NZ-OD2 3.32Å | ||
| 115 | V | 97.4 | Very high | 95.6 | Very high | 14 Ų | 14 | 49 Ų | 49 | 9% | 0.085 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.2 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | F87 V92 L96 P112 Y189 D190 | F87-V115 CarbonylContact O-C 3.55Å; F87-V115 WeakPolarHBondContact O-CA 3.4Å; V92-V115 HydrophobicContact CB-CG1 4.4Å; V92-V115 HydrophobicContact CG1-CG1 3.87Å; V92-V115 HydrophobicContact CG2-CG1 3.6Å; L96-V115 HydrophobicContact CD2-CG1 3.98Å; L96-V115 HydrophobicContact CD2-CG2 3.9Å; P112-V115 HydrophobicContact CB-CG2 4.27Å; P112-V115 HydrophobicContact CG-CG2 3.67Å; V115-Y189 HydrophobicContact CB-CD1 3.88Å; V115-Y189 HydrophobicContact CB-CE1 4.46Å; V115-Y189 HydrophobicContact CG1-CD1 3.61Å; V115-Y189 HydrophobicContact CG1-CE1 3.84Å; V115-Y189 HydrophobicContact CG1-CG 4.31Å; V115-Y189 WeakPolarHBondContact O-CB 3.4Å; V115-D190 PolarHBondContact N-OD2 3.2Å; V115-D190 WeakPolarHBondContact O-CB 3.26Å; V115-D190 PolarHBondContact O-N 3.46Å |
| 116 | I | 97.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 134.7 | 174.9 | -66.3 | 171.5 | 0 | 0 | 0 | 108.8 | Y6 I86 F87 V88 A89 I121 I194 | Y6-I116 HydrophobicContact CD1-CD1 3.99Å; Y6-I116 HydrophobicContact CE1-CD1 3.7Å; I86-I116 HydrophobicContact CG2-CD1 3.57Å; I86-I116 HydrophobicContact CG2-CG1 3.88Å; F87-I116 PolarHBondContact O-N 3.1Å; V88-I116 WeakPolarHBondContact CA-O 3.49Å; V88-I116 HydrophobicContact CG1-CB 4.37Å; V88-I116 HydrophobicContact CG1-CG2 4.22Å; V88-I116 HydrophobicContact CG2-CB 4.08Å; V88-I116 HydrophobicContact CG2-CD1 4.24Å; A89-I116 PolarHBondContact N-O 2.91Å; I116-I121 HydrophobicContact CG2-CD1 3.23Å; I116-I121 HydrophobicContact CG2-CG1 4.18Å; I116-I194 HydrophobicContact CD1-CD1 3.27Å; I116-I194 HydrophobicContact CD1-CG1 4.3Å; I116-I194 HydrophobicContact CG1-CD1 4.22Å |
| 117 | D | 97.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.3 | 165.8 | -173 | -1.8 | 0 | 0 | 0 | 110.1 | N91 V92 L119 E120 I121 Y189 | N91-D117 WeakPolarHBondContact CA-OD1 3.19Å; N91-D117 PolarHBondContact N-OD1 2.73Å; V92-D117 HydrophobicContact CB-CB 4.25Å; V92-D117 HydrophobicContact CG1-CB 3.73Å; D117-L119 PolarHBondContact O-N 3.12Å; D117-L119 VanDerWaalsContact OD1-CB 3.27Å; D117-L119 WeakPolarHBondContact OD1-CB 3.37Å; D117-L119 PolarHBondContact OD1-N 3.48Å; D117-E120 HydrophobicContact CB-CB 4.34Å; D117-E120 HydrophobicContact CB-CG 4.04Å; D117-E120 WeakPolarHBondContact O-CB 3.39Å; D117-E120 PolarHBondContact O-N 3.42Å; D117-I121 PolarHBondContact O-N 3.49Å; D117-Y189 HydrophobicContact CB-CD2 3.57Å; D117-Y189 HydrophobicContact CB-CE2 3.7Å |
| 118 | T | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.8 | -23 | 176.5 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | V88 A89 H90 E120 I121 F122 T158 M162 | V88-T118 HydrophobicContact CG1-CG2 3.31Å; A89-T118 PolarHBondContact O-N 2.98Å; A89-T118 PolarHBondContact O-OG1 3.14Å; H90-T118 WeakPolarHBondContact CA-OG1 3.14Å; H90-T118 WeakPolarHBondContact CB-OG1 3.49Å; H90-T118 PolarHBondContact ND1-OG1 3.24Å; T118-E120 VanDerWaalsContact C-N 3.3Å; T118-E120 PolarHBondContact O-N 3.34Å; T118-I121 PolarHBondContact O-N 3.16Å; T118-F122 VanDerWaalsContact CB-CZ 3.49Å; T118-F122 HydrophobicContact CG2-CZ 4.17Å; T118-F122 WeakPolarHBondContact O-CB 3.5Å; T118-F122 WeakPolarHBondContact O-CD1 3.11Å; T118-F122 VanDerWaalsContact O-CD2 3.25Å; T118-F122 WeakPolarHBondContact O-CD2 3.48Å; T118-F122 WeakPolarHBondContact O-CG 3.24Å; T118-F122 PolarHBondContact O-N 3.05Å; T118-T158 HydrophobicContact CG2-CG2 3.68Å; T118-M162 HydrophobicContact CG2-CB 4.43Å |
| 119 | L | 95.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -37.9 | 173.3 | -179.9 | 60.7 | 0 | 0 | 0 | 111.3 | N91 D117 K123 Y132 | N91-L119 HydrophobicContact CB-CD2 4.33Å; D117-L119 PolarHBondContact O-N 3.12Å; D117-L119 VanDerWaalsContact OD1-CB 3.27Å; D117-L119 WeakPolarHBondContact OD1-CB 3.37Å; D117-L119 PolarHBondContact OD1-N 3.48Å; L119-K123 WeakPolarHBondContact O-CB 3.26Å; L119-K123 VanDerWaalsContact O-CG 3.27Å; L119-K123 WeakPolarHBondContact O-CG 3.48Å; L119-K123 PolarHBondContact O-N 3.46Å; L119-K123 VanDerWaalsContact O-N 3.12Å; L119-Y132 HydrophobicContact CD1-CG 4.39Å |
| 120 | E | 94.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -50.2 | 171.4 | -71.7 | -176.8 | 144.9 | 0 | 0 | 110.8 | D117 T118 F122 K123 I124 K188 Y189 Y358 | D117-E120 HydrophobicContact CB-CB 4.34Å; D117-E120 HydrophobicContact CB-CG 4.04Å; D117-E120 WeakPolarHBondContact O-CB 3.39Å; D117-E120 PolarHBondContact O-N 3.42Å; T118-E120 VanDerWaalsContact C-N 3.3Å; T118-E120 PolarHBondContact O-N 3.34Å; E120-F122 PolarHBondContact O-N 3.37Å; E120-K123 PolarHBondContact O-N 3.33Å; E120-I124 WeakPolarHBondContact O-CD1 3.49Å; E120-I124 VanDerWaalsContact O-CG1 3.26Å; E120-I124 WeakPolarHBondContact O-CG1 3.18Å; E120-I124 PolarHBondContact O-N 3.36Å; E120-I124 VanDerWaalsContact O-N 3.13Å; E120-K188 PolarHBondContact OE1-N 3.11Å; E120-Y189 WeakPolarHBondContact OE2-CD2 3.36Å; E120-Y358 HydrophobicContact CG-CE2 4.47Å; E120-Y358 VanDerWaalsContact CG-OH 3.22Å; E120-Y358 WeakPolarHBondContact CG-OH 3.4Å; E120-Y358 WeakPolarHBondContact OE1-CE2 3.46Å; E120-Y358 PolarHBondContact OE1-OH 2.87Å |
| 121 | I | 97 | Very high | 95 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -48.9 | 179 | -69.4 | 171.7 | 0 | 0 | 0 | 110.8 | I116 D117 T118 I124 A125 A165 F166 F169 L191 | I116-I121 HydrophobicContact CG2-CD1 3.23Å; I116-I121 HydrophobicContact CG2-CG1 4.18Å; D117-I121 PolarHBondContact O-N 3.49Å; T118-I121 PolarHBondContact O-N 3.16Å; I121-I124 PolarHBondContact O-N 3.12Å; I121-A125 WeakPolarHBondContact O-CB 3.32Å; I121-A125 PolarHBondContact O-N 2.94Å; I121-A165 HydrophobicContact CG2-CB 3.44Å; I121-A165 VanDerWaalsContact CG2-CB 3.44Å; I121-F166 HydrophobicContact CD1-CE1 3.77Å; I121-F166 HydrophobicContact CD1-CZ 4.2Å; I121-F169 HydrophobicContact CG2-CE2 4.01Å; I121-F169 HydrophobicContact CG2-CZ 4.22Å; I121-L191 HydrophobicContact CD1-CD1 4.1Å; I121-L191 HydrophobicContact CG1-CD1 3.81Å; I121-L191 HydrophobicContact CG1-CD2 4.12Å |
| 122 | F | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | -175 | -60.6 | -19.2 | 0 | 0 | 0 | 111.6 | H90 T118 E120 I124 F126 Y132 L137 T158 L161 M162 | H90-F122 AromaticContact CE1-CD2 3.8Å; H90-F122 AromaticContact ND1-CD2 3.73Å; H90-F122 AromaticContact ND1-CE2 3.63Å; T118-F122 VanDerWaalsContact CB-CZ 3.49Å; T118-F122 HydrophobicContact CG2-CZ 4.17Å; T118-F122 WeakPolarHBondContact O-CB 3.5Å; T118-F122 WeakPolarHBondContact O-CD1 3.11Å; T118-F122 VanDerWaalsContact O-CD2 3.25Å; T118-F122 WeakPolarHBondContact O-CD2 3.48Å; T118-F122 WeakPolarHBondContact O-CG 3.24Å; T118-F122 PolarHBondContact O-N 3.05Å; E120-F122 PolarHBondContact O-N 3.37Å; F122-I124 VanDerWaalsContact C-N 3.28Å; F122-I124 PolarHBondContact O-N 3.24Å; F122-F126 HydrophobicContact CB-CD2 4.19Å; F122-F126 HydrophobicContact CD1-CD2 4.37Å; F122-F126 AromaticContact CD1-CE2 3.95Å; F122-F126 HydrophobicContact CD1-CE2 3.95Å; F122-F126 WeakPolarHBondContact O-CA 3.19Å; F122-F126 WeakPolarHBondContact O-CB 3.38Å; F122-F126 PolarHBondContact O-N 3.5Å; F122-Y132 HydrophobicContact CB-CD1 4.09Å; F122-Y132 WeakPolarHBondContact O-CE1 3.17Å; F122-L137 HydrophobicContact CB-CD2 3.75Å; F122-L137 HydrophobicContact CD1-CD2 4.39Å; F122-L137 HydrophobicContact CD2-CD2 3.39Å; F122-L137 HydrophobicContact CE2-CD2 4.06Å; F122-L137 HydrophobicContact CG-CD2 3.59Å; F122-T158 HydrophobicContact CZ-CG2 4.35Å; F122-L161 HydrophobicContact CE1-CB 3.66Å; F122-L161 HydrophobicContact CE2-CB 4.2Å; F122-L161 HydrophobicContact CE2-CD1 4.27Å; F122-L161 HydrophobicContact CZ-CB 3.44Å; F122-L161 VanDerWaalsContact CZ-CB 3.44Å; F122-L161 HydrophobicContact CZ-CD1 4.31Å; F122-M162 HydrophobicContact CE1-CB 4.47Å |
| 123 | K | 95.3 | Very high | 94.7 | Very high | 41 Ų | 41 | 37.2 Ų | 37.2 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.8 | -41.6 | 172.5 | -77.1 | 174.2 | -179.9 | 177.5 | 0 | 112.5 | L119 E120 Y132 I362 Q366 | L119-K123 WeakPolarHBondContact O-CB 3.26Å; L119-K123 VanDerWaalsContact O-CG 3.27Å; L119-K123 WeakPolarHBondContact O-CG 3.48Å; L119-K123 PolarHBondContact O-N 3.46Å; L119-K123 VanDerWaalsContact O-N 3.12Å; E120-K123 PolarHBondContact O-N 3.33Å; K123-Y132 HydrophobicContact CB-CE1 4.44Å; K123-Y132 HydrophobicContact CG-CD1 4.22Å; K123-Y132 HydrophobicContact CG-CD2 3.78Å; K123-Y132 HydrophobicContact CG-CE1 4.18Å; K123-Y132 HydrophobicContact CG-CE2 3.75Å; K123-Y132 HydrophobicContact CG-CG 4.02Å; K123-I362 HydrophobicContact CB-CG2 4.25Å; K123-Q366 VanDerWaalsContact O-CG 3.24Å; K123-Q366 WeakPolarHBondContact O-CG 3.33Å; K123-Q366 PolarHBondContact O-NE2 3.18Å |
| 124 | I | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -74.8 | -51.7 | -178.4 | -67.6 | 162.2 | 0 | 0 | 0 | 110.4 | E120 I121 F122 F169 L187 L191 I362 M365 I369 | E120-I124 WeakPolarHBondContact O-CD1 3.49Å; E120-I124 VanDerWaalsContact O-CG1 3.26Å; E120-I124 WeakPolarHBondContact O-CG1 3.18Å; E120-I124 PolarHBondContact O-N 3.36Å; E120-I124 VanDerWaalsContact O-N 3.13Å; I121-I124 PolarHBondContact O-N 3.12Å; F122-I124 VanDerWaalsContact C-N 3.28Å; F122-I124 PolarHBondContact O-N 3.24Å; I124-F169 HydrophobicContact CB-CZ 4.44Å; I124-F169 HydrophobicContact CG2-CE1 3.93Å; I124-F169 HydrophobicContact CG2-CZ 3.96Å; I124-L187 HydrophobicContact CD1-CD1 3.95Å; I124-L191 HydrophobicContact CD1-CD2 3.79Å; I124-I362 HydrophobicContact CD1-CD1 3.76Å; I124-I362 HydrophobicContact CG1-CD1 3.89Å; I124-M365 HydrophobicContact CD1-CE 3.7Å; I124-M365 HydrophobicContact CD1-SD 3.85Å; I124-M365 HydrophobicContact CG1-CB 4.13Å; I124-M365 HydrophobicContact CG1-CE 4.41Å; I124-M365 HydrophobicContact CG1-SD 4.38Å; I124-M365 HydrophobicContact CG2-CB 3.94Å; I124-M365 HydrophobicContact CG2-CE 4.12Å; I124-I369 HydrophobicContact CG2-CD1 3.41Å; I124-I369 VanDerWaalsContact CG2-CD1 3.41Å; I124-I369 WeakPolarHBondContact O-CD1 3.33Å |
| 125 | A | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.3 | -37 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I121 P127 A165 K168 F169 | I121-A125 WeakPolarHBondContact O-CB 3.32Å; I121-A125 PolarHBondContact O-N 2.94Å; A125-P127 WeakPolarHBondContact O-CD 3.41Å; A125-A165 HydrophobicContact CB-CB 3.65Å; A125-K168 VanDerWaalsContact O-CD 3.26Å; A125-K168 WeakPolarHBondContact O-CD 3.38Å; A125-K168 WeakPolarHBondContact O-CE 3.08Å; A125-K168 PolarHBondContact O-NZ 2.8Å; A125-F169 HydrophobicContact CB-CE1 3.68Å; A125-F169 HydrophobicContact CB-CZ 3.66Å |
| 126 | F | 97.2 | Very high | 93.5 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 4% | 0.044 | 16% | 0.161 | C | C | . | . | trans | -121.9 | 63.3 | -174.6 | -43.5 | -64.1 | 0 | 0 | 0 | 111.5 | F122 T128 D129 Y132 L137 H141 L164 A165 K168 | F122-F126 HydrophobicContact CB-CD2 4.19Å; F122-F126 HydrophobicContact CD1-CD2 4.37Å; F122-F126 AromaticContact CD1-CE2 3.95Å; F122-F126 HydrophobicContact CD1-CE2 3.95Å; F122-F126 WeakPolarHBondContact O-CA 3.19Å; F122-F126 WeakPolarHBondContact O-CB 3.38Å; F122-F126 PolarHBondContact O-N 3.5Å; F126-T128 PolarHBondContact O-N 3.4Å; F126-D129 HydrophobicContact CB-CB 4.4Å; F126-D129 WeakPolarHBondContact CB-OD2 3.36Å; F126-D129 PolarHBondContact O-N 3.03Å; F126-D129 VanDerWaalsContact O-N 3.13Å; F126-Y132 WeakPolarHBondContact O-CE1 3.39Å; F126-Y132 PolarHBondContact O-OH 2.94Å; F126-Y132 VanDerWaalsContact O-OH 3.1Å; F126-L137 HydrophobicContact CD2-CD1 4.34Å; F126-H141 AromaticContact CD1-CE1 3.46Å; F126-H141 VanDerWaalsContact CD1-CE1 3.46Å; F126-H141 WeakPolarHBondContact CD1-CE1 3.44Å; F126-H141 AromaticContact CD1-NE2 3.73Å; F126-H141 AromaticContact CD2-NE2 3.98Å; F126-H141 AromaticContact CE1-CE1 3.67Å; F126-H141 AromaticContact CG-CE1 3.9Å; F126-H141 AromaticContact CG-NE2 3.67Å; F126-L164 HydrophobicContact CZ-CB 4.29Å; F126-A165 HydrophobicContact CE2-CB 4.03Å; F126-A165 HydrophobicContact CZ-CB 3.87Å; F126-K168 HydrophobicContact CD1-CD 4.25Å; F126-K168 HydrophobicContact CE1-CD 4.12Å | ||
| 127 | P | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.7 | -171.8 | 28.9 | -36.3 | 0 | 0 | 0 | 113.5 | A125 Q366 I369 W370 L382 | A125-P127 WeakPolarHBondContact O-CD 3.41Å; P127-Q366 HydrophobicContact CB-CB 3.85Å; P127-Q366 HydrophobicContact CB-CG 3.97Å; P127-I369 HydrophobicContact CG-CG2 4.2Å; P127-W370 HydrophobicContact CB-CB 4.32Å; P127-W370 HydrophobicContact CG-CB 3.81Å; P127-L382 HydrophobicContact CB-CD2 4.01Å; P127-L382 CarbonylContact O-C 3.54Å; P127-L382 WeakPolarHBondContact O-CA 3.39Å |
| 128 | T | 95.4 | Very high | 92.9 | Very high | 59 Ų | 59 | 32 Ų | 32 | 36% | 0.362 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -7 | -178.9 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | F126 E381 N383 | F126-T128 PolarHBondContact O-N 3.4Å; T128-E381 VanDerWaalsContact CA-O 3.23Å; T128-E381 WeakPolarHBondContact CA-O 3.5Å; T128-E381 HydrophobicContact CG2-CB 4.1Å; T128-N383 PolarHBondContact O-ND2 3.14Å |
| 129 | D | 93.6 | Very high | 92.5 | Very high | 25 Ų | 25 | 39.3 Ų | 39.3 | 13% | 0.134 | 19% | 0.193 | C | C | . | . | trans | -71.1 | 141.2 | -179.9 | -78.1 | -37.5 | 0 | 0 | 0 | 111.7 | F126 S131 Y132 L137 H141 N383 | F126-D129 HydrophobicContact CB-CB 4.4Å; F126-D129 WeakPolarHBondContact CB-OD2 3.36Å; F126-D129 PolarHBondContact O-N 3.03Å; F126-D129 VanDerWaalsContact O-N 3.13Å; D129-S131 VanDerWaalsContact C-N 3.31Å; D129-Y132 HydrophobicContact CB-CE1 4.21Å; D129-L137 HydrophobicContact CB-CD1 3.96Å; D129-L137 WeakPolarHBondContact OD2-CD1 3.3Å; D129-H141 IonicContact OD1-NE2 2.69Å; D129-H141 IonicContact OD2-CD2 2.72Å; D129-H141 IonicContact OD2-CE1 3.72Å; D129-H141 IonicContact OD2-NE2 2.8Å; D129-H141 PolarHBondContact OD2-NE2 3.13Å; D129-N383 PolarHBondContact O-ND2 2.93Å | ||
| 130 | K | 86.9 | Confident | 92.2 | Very high | 166 Ų | 166 | 40.8 Ų | 40.8 | 72% | 0.722 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -75.3 | -27.4 | -175.2 | -66.1 | 177.1 | -176.9 | 168.2 | 0 | 112.1 | K385 | K130-K385 PolarHBondContact O-NZ 3.48Š|
| 131 | S | 88.7 | Confident | 92.1 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 16% | 0.161 | 22% | 0.223 | C | C | . | . | trans | -143.2 | 147.1 | -175.8 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | D129 Q133 E136 | D129-S131 VanDerWaalsContact C-N 3.31Å; S131-Q133 PolarHBondContact OG-N 2.9Å; S131-E136 WeakPolarHBondContact CB-OE2 3.44Å; S131-E136 PolarHBondContact OG-OE2 3.47Å | ||
| 132 | Y | 91.1 | Very high | 91.7 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | trans | -114.9 | 16.8 | 174.1 | -57.4 | -73.9 | 0 | 0 | 0 | 110.7 | H90 L119 F122 K123 F126 D129 | H90-Y132 PolarHBondContact CE1-O 2.78Å; H90-Y132 PolarHBondContact NE2-O 3.04Å; H90-Y132 VanDerWaalsContact NE2-O 3.08Å; L119-Y132 HydrophobicContact CD1-CG 4.39Å; F122-Y132 HydrophobicContact CB-CD1 4.09Å; F122-Y132 WeakPolarHBondContact O-CE1 3.17Å; K123-Y132 HydrophobicContact CB-CE1 4.44Å; K123-Y132 HydrophobicContact CG-CD1 4.22Å; K123-Y132 HydrophobicContact CG-CD2 3.78Å; K123-Y132 HydrophobicContact CG-CE1 4.18Å; K123-Y132 HydrophobicContact CG-CE2 3.75Å; K123-Y132 HydrophobicContact CG-CG 4.02Å; F126-Y132 WeakPolarHBondContact O-CE1 3.39Å; F126-Y132 PolarHBondContact O-OH 2.94Å; F126-Y132 VanDerWaalsContact O-OH 3.1Å; D129-Y132 HydrophobicContact CB-CE1 4.21Å | ||
| 133 | Q | 89 | Confident | 91.3 | Very high | 114 Ų | 114 | 47.7 Ų | 47.7 | 53% | 0.533 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -68.2 | 136.5 | 165.3 | -66 | -169.7 | -48.8 | 0 | 0 | 108.5 | S131 S135 E136 L137 | S131-Q133 PolarHBondContact OG-N 2.9Å; Q133-S135 VanDerWaalsContact C-N 3.3Å; Q133-S135 PolarHBondContact O-N 2.87Å; Q133-E136 PolarHBondContact O-N 2.93Å; Q133-L137 VanDerWaalsContact O-CB 3.32Å; Q133-L137 WeakPolarHBondContact O-CB 3.35Å; Q133-L137 PolarHBondContact O-N 3.09Å |
| 134 | L | 88 | Confident | 90.4 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55 | -44.7 | -169.4 | -174 | 65.8 | 0 | 0 | 0 | 113 | L137 A138 D154 T157 T158 L161 | L134-L137 PolarHBondContact O-N 2.94Å; L134-A138 WeakPolarHBondContact O-CB 3.4Å; L134-A138 PolarHBondContact O-N 3.12Å; L134-D154 HydrophobicContact CD2-CB 3.69Å; L134-T157 HydrophobicContact CD1-CG2 4.01Å; L134-T157 HydrophobicContact CD2-CG2 4.39Å; L134-T157 HydrophobicContact CG-CG2 4.03Å; L134-T158 VanDerWaalsContact CD1-OG1 3.31Å; L134-T158 WeakPolarHBondContact CD1-OG1 3.49Å; L134-T158 WeakPolarHBondContact CD2-OG1 3.33Å; L134-L161 HydrophobicContact CD1-CD1 3.57Å |
| 135 | S | 84.7 | Confident | 89.2 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 32% | 0.315 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -50.2 | -178.7 | 51.8 | 0 | 0 | 0 | 0 | 113 | Q133 L137 A138 E139 | Q133-S135 VanDerWaalsContact C-N 3.3Å; Q133-S135 PolarHBondContact O-N 2.87Å; S135-L137 VanDerWaalsContact C-N 3.31Å; S135-L137 PolarHBondContact O-N 3.26Å; S135-A138 PolarHBondContact O-N 2.76Å; S135-E139 PolarHBondContact O-N 2.91Å |
| 136 | E | 86.4 | Confident | 87.5 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 44% | 0.444 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 179.2 | -62.3 | -175.1 | 168.3 | 0 | 0 | 111.6 | S131 Q133 A140 | S131-E136 WeakPolarHBondContact CB-OE2 3.44Å; S131-E136 PolarHBondContact OG-OE2 3.47Å; Q133-E136 PolarHBondContact O-N 2.93Å; E136-A140 WeakPolarHBondContact O-CB 3.32Å; E136-A140 PolarHBondContact O-N 2.6Å; E136-A140 VanDerWaalsContact O-N 3.1Å |
| 137 | L | 91.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.8 | -43.3 | 176.4 | -171.9 | 66 | 0 | 0 | 0 | 111.5 | F122 F126 D129 Q133 L134 S135 E139 A140 H141 L161 | F122-L137 HydrophobicContact CB-CD2 3.75Å; F122-L137 HydrophobicContact CD1-CD2 4.39Å; F122-L137 HydrophobicContact CD2-CD2 3.39Å; F122-L137 HydrophobicContact CE2-CD2 4.06Å; F122-L137 HydrophobicContact CG-CD2 3.59Å; F126-L137 HydrophobicContact CD2-CD1 4.34Å; D129-L137 HydrophobicContact CB-CD1 3.96Å; D129-L137 WeakPolarHBondContact OD2-CD1 3.3Å; Q133-L137 VanDerWaalsContact O-CB 3.32Å; Q133-L137 WeakPolarHBondContact O-CB 3.35Å; Q133-L137 PolarHBondContact O-N 3.09Å; L134-L137 PolarHBondContact O-N 2.94Å; S135-L137 VanDerWaalsContact C-N 3.31Å; S135-L137 PolarHBondContact O-N 3.26Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-E139 PolarHBondContact O-N 3.41Å; L137-A140 PolarHBondContact O-N 3.42Å; L137-H141 PolarHBondContact O-CD2 2.77Å; L137-H141 VanDerWaalsContact O-CD2 3.24Å; L137-H141 PolarHBondContact O-N 2.88Å; L137-H141 VanDerWaalsContact O-N 3.12Å; L137-L161 HydrophobicContact CB-CD1 4.44Å; L137-L161 HydrophobicContact CD2-CD1 4.08Å; L137-L161 HydrophobicContact CD2-CD2 4.44Å; L137-L161 HydrophobicContact CG-CD1 4.2Å; L137-L161 HydrophobicContact CG-CD2 4.13Å |
| 138 | A | 91.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L134 S135 H141 G142 I143 L145 T157 L161 | L134-A138 WeakPolarHBondContact O-CB 3.4Å; L134-A138 PolarHBondContact O-N 3.12Å; S135-A138 PolarHBondContact O-N 2.76Å; A138-H141 CarbonylContact O-C 3.54Å; A138-H141 PolarHBondContact O-N 3.15Å; A138-G142 PolarHBondContact O-N 3.31Å; A138-G142 VanDerWaalsContact O-N 3.1Å; A138-I143 HydrophobicContact CB-CB 4.09Å; A138-I143 HydrophobicContact CB-CG2 4.44Å; A138-I143 PolarHBondContact O-N 2.82Å; A138-L145 HydrophobicContact CB-CD1 4.23Å; A138-L145 HydrophobicContact CB-CD2 4.26Å; A138-L145 HydrophobicContact CB-CG 4.34Å; A138-T157 HydrophobicContact CB-CG2 3.58Å; A138-L161 HydrophobicContact CB-CD1 4.34Å |
| 139 | E | 89 | Confident | 82 | Confident | 153 Ų | 153 | 64.9 Ų | 64.9 | 72% | 0.715 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.9 | -46.6 | 174.8 | -173.5 | -179 | -176 | 0 | 0 | 111.5 | S135 L137 H141 G142 | S135-E139 PolarHBondContact O-N 2.91Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-E139 PolarHBondContact O-N 3.41Å; E139-H141 PolarHBondContact O-N 3.23Å; E139-G142 PolarHBondContact O-N 2.83Å |
| 140 | A | 89.1 | Confident | 81.1 | Confident | 64 Ų | 64 | 68.2 Ų | 68.2 | 53% | 0.529 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60 | -30.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E136 L137 | E136-A140 WeakPolarHBondContact O-CB 3.32Å; E136-A140 PolarHBondContact O-N 2.6Å; E136-A140 VanDerWaalsContact O-N 3.1Å; L137-A140 PolarHBondContact O-N 3.42Å |
| 141 | H | 93.1 | Very high | 80.6 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 29% | 0.292 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 12.5 | 177.9 | -67.6 | -77.7 | 0 | 0 | 0 | 113.7 | F126 D129 L137 A138 E139 I143 L161 L164 | F126-H141 AromaticContact CD1-CE1 3.46Å; F126-H141 VanDerWaalsContact CD1-CE1 3.46Å; F126-H141 WeakPolarHBondContact CD1-CE1 3.44Å; F126-H141 AromaticContact CD1-NE2 3.73Å; F126-H141 AromaticContact CD2-NE2 3.98Å; F126-H141 AromaticContact CE1-CE1 3.67Å; F126-H141 AromaticContact CG-CE1 3.9Å; F126-H141 AromaticContact CG-NE2 3.67Å; D129-H141 IonicContact OD1-NE2 2.69Å; D129-H141 IonicContact OD2-CD2 2.72Å; D129-H141 IonicContact OD2-CE1 3.72Å; D129-H141 IonicContact OD2-NE2 2.8Å; D129-H141 PolarHBondContact OD2-NE2 3.13Å; L137-H141 PolarHBondContact O-CD2 2.77Å; L137-H141 VanDerWaalsContact O-CD2 3.24Å; L137-H141 PolarHBondContact O-N 2.88Å; L137-H141 VanDerWaalsContact O-N 3.12Å; A138-H141 CarbonylContact O-C 3.54Å; A138-H141 PolarHBondContact O-N 3.15Å; E139-H141 PolarHBondContact O-N 3.23Å; H141-I143 PolarHBondContact O-N 3.4Å; H141-L161 HydrophobicContact CB-CD2 4.07Å; H141-L164 HydrophobicContact CB-CD1 4.16Å |
| 142 | G | 88.5 | Confident | 80.3 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 65% | 0.649 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 23.9 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | A138 E139 | A138-G142 PolarHBondContact O-N 3.31Å; A138-G142 VanDerWaalsContact O-N 3.1Å; E139-G142 PolarHBondContact O-N 2.83Å |
| 143 | I | 87.3 | Confident | 80.1 | Confident | 22 Ų | 22 | 61.5 Ų | 61.5 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | trans | -88.7 | 114.2 | 175.3 | -62.4 | 167.5 | 0 | 0 | 0 | 108.7 | A138 H141 L145 T157 K160 L161 L164 | A138-I143 HydrophobicContact CB-CB 4.09Å; A138-I143 HydrophobicContact CB-CG2 4.44Å; A138-I143 PolarHBondContact O-N 2.82Å; H141-I143 PolarHBondContact O-N 3.4Å; I143-L145 PolarHBondContact O-N 3.32Å; I143-T157 HydrophobicContact CG2-CG2 4.26Å; I143-K160 HydrophobicContact CD1-CB 3.86Å; I143-K160 HydrophobicContact CG2-CD 3.99Å; I143-L161 HydrophobicContact CD1-CD2 3.59Å; I143-L161 HydrophobicContact CD1-CG 3.6Å; I143-L164 HydrophobicContact CD1-CD1 4.04Å | ||
| 144 | T | 77.8 | Confident | 80.1 | Confident | 126 Ų | 126 | 56.9 Ų | 56.9 | 77% | 0.773 | 33% | 0.331 | S | S | * | . | trans | -69.6 | 126.8 | 179.3 | -41.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 145 | L | 69.9 | Low | 80.4 | Confident | 53 Ų | 53 | 56 Ų | 56 | 28% | 0.277 | 33% | 0.326 | S | S | . | . | trans | -98.9 | 121.5 | 171.5 | -60.5 | 167.1 | 0 | 0 | 0 | 108.3 | A138 I143 T157 | A138-L145 HydrophobicContact CB-CD1 4.23Å; A138-L145 HydrophobicContact CB-CD2 4.26Å; A138-L145 HydrophobicContact CB-CG 4.34Å; I143-L145 PolarHBondContact O-N 3.32Å; L145-T157 HydrophobicContact CD2-CG2 3.84Å; L145-T157 WeakPolarHBondContact CD2-OG1 3.35Å | ||
| 146 | A | 63.1 | Low | 80.9 | Confident | 81 Ų | 81 | 54.7 Ų | 54.7 | 67% | 0.669 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -88.7 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 147 | N | 60.2 | Low | 81.2 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -136.6 | 97.7 | 167.1 | -56.3 | -60.4 | 0 | 0 | 0 | 109.5 | E153 | N147-E153 PolarHBondContact N-OE2 3.24Å; N147-E153 PolarHBondContact ND2-OE1 3.15Å; N147-E153 VanDerWaalsContact O-OE2 3.07Å |
| 148 | A | 55.4 | Low | 81.5 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 31% | 0.314 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 144.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 149 | H | 57.9 | Low | 81.7 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 21.5 | 176.2 | -44.9 | -60 | 0 | 0 | 0 | 117.4 | L57 | L57-H149 WeakPolarHBondContact O-CB 3.41Š|
| 150 | R | 73.7 | Confident | 82.1 | Confident | 95 Ų | 95 | 47.5 Ų | 47.5 | 36% | 0.358 | 28% | 0.284 | S | S | . | . | trans | -101.7 | 128.9 | 158.9 | -70.8 | -173.3 | 61.3 | 148.4 | 5.2 | 108.6 | D152 E153 D154 | R150-D152 WeakPolarHBondContact CB-OD1 3.41Å; R150-D152 IonicContact NE-OD1 3.51Å; R150-D152 PolarHBondContact NE-OD1 2.98Å; R150-D152 IonicContact NH2-OD1 2.66Å; R150-D152 PolarHBondContact O-N 2.92Å; R150-E153 HydrophobicContact CB-CB 4.43Å; R150-E153 HydrophobicContact CB-CG 4.45Å; R150-E153 PolarHBondContact O-N 3.42Å; R150-D154 PolarHBondContact O-N 2.9Å | ||
| 151 | A | 76.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54 | -34.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D10 E12 Q25 A155 | D10-A151 HydrophobicContact CB-CB 4.43Å; D10-A151 WeakPolarHBondContact CB-O 3.38Å; D10-A151 VanDerWaalsContact OD2-CA 3.24Å; D10-A151 WeakPolarHBondContact OD2-CA 3.3Å; E12-A151 HydrophobicContact CG-CB 4.24Å; Q25-A151 HydrophobicContact CB-CB 4.28Å; Q25-A151 HydrophobicContact CG-CB 3.88Å; A151-A155 WeakPolarHBondContact O-CB 3.5Å; A151-A155 PolarHBondContact O-N 2.98Å |
| 152 | D | 83.2 | Confident | 82.6 | Confident | 41 Ų | 41 | 41.5 Ų | 41.5 | 22% | 0.219 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.7 | -39.5 | 177.2 | 56.8 | -51.1 | 0 | 0 | 0 | 113.4 | Q25 H41 R150 A156 | Q25-D152 PolarHBondContact NE2-OD1 3.27Å; H41-D152 HydrophobicContact CB-CB 3.82Å; R150-D152 WeakPolarHBondContact CB-OD1 3.41Å; R150-D152 IonicContact NE-OD1 3.51Å; R150-D152 PolarHBondContact NE-OD1 2.98Å; R150-D152 IonicContact NH2-OD1 2.66Å; R150-D152 PolarHBondContact O-N 2.92Å; D152-A156 WeakPolarHBondContact O-CB 3.47Å; D152-A156 PolarHBondContact O-N 3.36Å; D152-A156 VanDerWaalsContact O-N 3.12Å |
| 153 | E | 86.5 | Confident | 83 | Confident | 45 Ų | 45 | 39.3 Ų | 39.3 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.9 | -38.3 | 174.5 | -68.7 | -166.4 | -152.4 | 0 | 0 | 111.5 | N147 R150 A156 T157 | N147-E153 PolarHBondContact N-OE2 3.24Å; N147-E153 PolarHBondContact ND2-OE1 3.15Å; N147-E153 VanDerWaalsContact O-OE2 3.07Å; R150-E153 HydrophobicContact CB-CB 4.43Å; R150-E153 HydrophobicContact CB-CG 4.45Å; R150-E153 PolarHBondContact O-N 3.42Å; E153-A156 PolarHBondContact O-N 3.29Å; E153-T157 VanDerWaalsContact O-CB 3.3Å; E153-T157 WeakPolarHBondContact O-CB 3.4Å; E153-T157 PolarHBondContact O-N 3.32Å; E153-T157 PolarHBondContact O-OG1 3.08Å |
| 154 | D | 90.1 | Very high | 83.5 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.7 | -39.7 | 179.7 | -76.7 | -6.9 | 0 | 0 | 0 | 111.5 | D10 L134 R150 A156 T157 T158 | D10-D154 HydrophobicContact CB-CB 4.47Å; L134-D154 HydrophobicContact CD2-CB 3.69Å; R150-D154 PolarHBondContact O-N 2.9Å; D154-A156 VanDerWaalsContact C-N 3.34Å; D154-A156 PolarHBondContact O-N 3.08Å; D154-T157 PolarHBondContact O-N 3.15Å; D154-T158 VanDerWaalsContact O-CB 3.25Å; D154-T158 WeakPolarHBondContact O-CB 3.31Å; D154-T158 PolarHBondContact O-N 2.97Å; D154-T158 PolarHBondContact O-OG1 3.25Å |
| 155 | A | 94.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V8 D10 A151 A159 | V8-A155 WeakPolarHBondContact CG1-O 3.45Å; D10-A155 HydrophobicContact CB-CB 3.92Å; A151-A155 WeakPolarHBondContact O-CB 3.5Å; A151-A155 PolarHBondContact O-N 2.98Å; A155-A159 WeakPolarHBondContact O-CB 3.34Å; A155-A159 PolarHBondContact O-N 2.93Å |
| 156 | A | 94 | Very high | 85.7 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 16% | 0.157 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.1 | -38.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T29 D152 E153 D154 A159 K160 | T29-A156 VanDerWaalsContact OG1-CA 3.28Å; T29-A156 WeakPolarHBondContact OG1-CA 3.28Å; T29-A156 PolarHBondContact OG1-N 2.96Å; D152-A156 WeakPolarHBondContact O-CB 3.47Å; D152-A156 PolarHBondContact O-N 3.36Å; D152-A156 VanDerWaalsContact O-N 3.12Å; E153-A156 PolarHBondContact O-N 3.29Å; D154-A156 VanDerWaalsContact C-N 3.34Å; D154-A156 PolarHBondContact O-N 3.08Å; A156-A159 WeakPolarHBondContact O-CB 3.16Å; A156-A159 PolarHBondContact O-N 2.92Å; A156-K160 WeakPolarHBondContact O-CG 3.49Å; A156-K160 PolarHBondContact O-N 3.31Å |
| 157 | T | 94 | Very high | 87.2 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -46.6 | 175.9 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | L134 A138 I143 L145 E153 D154 A159 K160 L161 | L134-T157 HydrophobicContact CD1-CG2 4.01Å; L134-T157 HydrophobicContact CD2-CG2 4.39Å; L134-T157 HydrophobicContact CG-CG2 4.03Å; A138-T157 HydrophobicContact CB-CG2 3.58Å; I143-T157 HydrophobicContact CG2-CG2 4.26Å; L145-T157 HydrophobicContact CD2-CG2 3.84Å; L145-T157 WeakPolarHBondContact CD2-OG1 3.35Å; E153-T157 VanDerWaalsContact O-CB 3.3Å; E153-T157 WeakPolarHBondContact O-CB 3.4Å; E153-T157 PolarHBondContact O-N 3.32Å; E153-T157 PolarHBondContact O-OG1 3.08Å; D154-T157 PolarHBondContact O-N 3.15Å; T157-A159 VanDerWaalsContact C-N 3.28Å; T157-A159 PolarHBondContact O-N 3.29Å; T157-K160 PolarHBondContact O-N 3.44Å; T157-L161 HydrophobicContact CG2-CD1 4.24Å; T157-L161 PolarHBondContact O-N 3.05Å |
| 158 | T | 95.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.5 | -42.6 | 174.5 | -61.9 | 0 | 0 | 0 | 0 | 111 | V8 H90 T118 F122 L134 D154 L161 M162 | V8-T158 HydrophobicContact CG1-CG2 3.57Å; H90-T158 HydrophobicContact CB-CG2 4.38Å; T118-T158 HydrophobicContact CG2-CG2 3.68Å; F122-T158 HydrophobicContact CZ-CG2 4.35Å; L134-T158 VanDerWaalsContact CD1-OG1 3.31Å; L134-T158 WeakPolarHBondContact CD1-OG1 3.49Å; L134-T158 WeakPolarHBondContact CD2-OG1 3.33Å; D154-T158 VanDerWaalsContact O-CB 3.25Å; D154-T158 WeakPolarHBondContact O-CB 3.31Å; D154-T158 PolarHBondContact O-N 2.97Å; D154-T158 PolarHBondContact O-OG1 3.25Å; T158-L161 PolarHBondContact O-N 3.45Å; T158-M162 WeakPolarHBondContact O-CB 3.3Å; T158-M162 PolarHBondContact O-N 2.95Å |
| 159 | A | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.1 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | V8 T29 V31 I36 A155 A156 T157 M162 I163 | V8-A159 HydrophobicContact CB-CB 4.18Å; V8-A159 HydrophobicContact CG1-CB 4.33Å; V8-A159 HydrophobicContact CG2-CB 3.9Å; T29-A159 HydrophobicContact CG2-CB 3.52Å; V31-A159 HydrophobicContact CG2-CB 3.69Å; I36-A159 HydrophobicContact CD1-CB 4.29Å; I36-A159 HydrophobicContact CG1-CB 4.37Å; A155-A159 WeakPolarHBondContact O-CB 3.34Å; A155-A159 PolarHBondContact O-N 2.93Å; A156-A159 WeakPolarHBondContact O-CB 3.16Å; A156-A159 PolarHBondContact O-N 2.92Å; T157-A159 VanDerWaalsContact C-N 3.28Å; T157-A159 PolarHBondContact O-N 3.29Å; A159-M162 PolarHBondContact O-N 2.85Å; A159-I163 WeakPolarHBondContact O-CD1 3.38Å; A159-I163 VanDerWaalsContact O-CG1 3.25Å; A159-I163 WeakPolarHBondContact O-CG1 3.25Å; A159-I163 PolarHBondContact O-N 3.43Å |
| 160 | K | 96.5 | Very high | 92.6 | Very high | 92 Ų | 92 | 28.5 Ų | 28.5 | 40% | 0.4 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.5 | -70.7 | 170.2 | -173.1 | 170.3 | 0 | 111.8 | I36 I143 A156 T157 I163 L164 | I36-K160 HydrophobicContact CD1-CG 3.99Å; I143-K160 HydrophobicContact CD1-CB 3.86Å; I143-K160 HydrophobicContact CG2-CD 3.99Å; A156-K160 WeakPolarHBondContact O-CG 3.49Å; A156-K160 PolarHBondContact O-N 3.31Å; T157-K160 PolarHBondContact O-N 3.44Å; K160-I163 WeakPolarHBondContact O-CB 3.44Å; K160-I163 PolarHBondContact O-N 3.2Å; K160-L164 WeakPolarHBondContact O-CG 3.36Å; K160-L164 PolarHBondContact O-N 3.01Å; K160-L164 VanDerWaalsContact O-N 3.08Å |
| 161 | L | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 176.6 | -75.6 | 167.1 | 0 | 0 | 0 | 112.3 | F122 L134 L137 A138 H141 I143 T157 T158 I163 L164 A165 | F122-L161 HydrophobicContact CE1-CB 3.66Å; F122-L161 HydrophobicContact CE2-CB 4.2Å; F122-L161 HydrophobicContact CE2-CD1 4.27Å; F122-L161 HydrophobicContact CZ-CB 3.44Å; F122-L161 VanDerWaalsContact CZ-CB 3.44Å; F122-L161 HydrophobicContact CZ-CD1 4.31Å; L134-L161 HydrophobicContact CD1-CD1 3.57Å; L137-L161 HydrophobicContact CB-CD1 4.44Å; L137-L161 HydrophobicContact CD2-CD1 4.08Å; L137-L161 HydrophobicContact CD2-CD2 4.44Å; L137-L161 HydrophobicContact CG-CD1 4.2Å; L137-L161 HydrophobicContact CG-CD2 4.13Å; A138-L161 HydrophobicContact CB-CD1 4.34Å; H141-L161 HydrophobicContact CB-CD2 4.07Å; I143-L161 HydrophobicContact CD1-CD2 3.59Å; I143-L161 HydrophobicContact CD1-CG 3.6Å; T157-L161 HydrophobicContact CG2-CD1 4.24Å; T157-L161 PolarHBondContact O-N 3.05Å; T158-L161 PolarHBondContact O-N 3.45Å; L161-I163 VanDerWaalsContact C-N 3.32Å; L161-I163 PolarHBondContact O-N 2.97Å; L161-L164 PolarHBondContact O-N 3.19Å; L161-A165 PolarHBondContact O-N 3.47Å |
| 162 | M | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 175.2 | -178.6 | -170.8 | 70.9 | 0 | 0 | 111.3 | Y6 V8 V31 V88 T118 F122 T158 A159 A165 F166 | Y6-M162 HydrophobicContact CD1-CE 4.47Å; Y6-M162 HydrophobicContact CD1-SD 4.44Å; Y6-M162 HydrophobicContact CD2-CE 4.35Å; Y6-M162 HydrophobicContact CG-CE 4.04Å; V8-M162 HydrophobicContact CG2-CE 3.93Å; V8-M162 HydrophobicContact CG2-SD 4.32Å; V31-M162 HydrophobicContact CB-CE 4Å; V31-M162 HydrophobicContact CG1-CE 4.08Å; V31-M162 HydrophobicContact CG2-CE 4Å; V88-M162 HydrophobicContact CG1-SD 3.83Å; V88-M162 HydrophobicContact CG2-SD 4.29Å; T118-M162 HydrophobicContact CG2-CB 4.43Å; F122-M162 HydrophobicContact CE1-CB 4.47Å; T158-M162 WeakPolarHBondContact O-CB 3.3Å; T158-M162 PolarHBondContact O-N 2.95Å; A159-M162 PolarHBondContact O-N 2.85Å; M162-A165 WeakPolarHBondContact O-CB 3.31Å; M162-A165 PolarHBondContact O-N 2.88Å; M162-F166 HydrophobicContact CE-CE2 4.09Å; M162-F166 HydrophobicContact CG-CD2 4.31Å; M162-F166 HydrophobicContact CG-CE1 4.07Å; M162-F166 HydrophobicContact CG-CE2 3.82Å; M162-F166 HydrophobicContact CG-CZ 3.68Å; M162-F166 WeakPolarHBondContact O-CG 3.46Å; M162-F166 PolarHBondContact O-N 3.1Å; M162-F166 HydrophobicContact SD-CE2 3.9Å; M162-F166 HydrophobicContact SD-CZ 3.86Å |
| 163 | I | 96.7 | Very high | 95 | Very high | 17 Ų | 17 | 30 Ų | 30 | 9% | 0.087 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 175.7 | -70.6 | 163.3 | 0 | 0 | 0 | 110.5 | V31 N34 I36 A159 K160 L161 A165 F166 E167 | V31-I163 HydrophobicContact CG1-CD1 3.86Å; V31-I163 HydrophobicContact CG1-CG1 3.86Å; V31-I163 HydrophobicContact CG2-CD1 4.23Å; N34-I163 HydrophobicContact CB-CG2 3.96Å; N34-I163 WeakPolarHBondContact O-CG2 3.38Å; I36-I163 HydrophobicContact CG1-CD1 4.2Å; A159-I163 WeakPolarHBondContact O-CD1 3.38Å; A159-I163 VanDerWaalsContact O-CG1 3.25Å; A159-I163 WeakPolarHBondContact O-CG1 3.25Å; A159-I163 PolarHBondContact O-N 3.43Å; K160-I163 WeakPolarHBondContact O-CB 3.44Å; K160-I163 PolarHBondContact O-N 3.2Å; L161-I163 VanDerWaalsContact C-N 3.32Å; L161-I163 PolarHBondContact O-N 2.97Å; I163-A165 VanDerWaalsContact C-N 3.27Å; I163-A165 PolarHBondContact O-N 2.83Å; I163-F166 PolarHBondContact O-N 3.42Å; I163-F166 VanDerWaalsContact O-N 3.15Å; I163-E167 HydrophobicContact CG2-CG 4.46Å; I163-E167 WeakPolarHBondContact O-CG 3.27Å; I163-E167 PolarHBondContact O-N 3.32Å |
| 164 | L | 96.8 | Very high | 95.4 | Very high | 62 Ų | 62 | 30.1 Ų | 30.1 | 33% | 0.325 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -58 | -40.2 | 176.4 | -69.7 | 175.1 | 0 | 0 | 0 | 112.2 | F126 H141 I143 K160 L161 K168 | F126-L164 HydrophobicContact CZ-CB 4.29Å; H141-L164 HydrophobicContact CB-CD1 4.16Å; I143-L164 HydrophobicContact CD1-CD1 4.04Å; K160-L164 WeakPolarHBondContact O-CG 3.36Å; K160-L164 PolarHBondContact O-N 3.01Å; K160-L164 VanDerWaalsContact O-N 3.08Å; L161-L164 PolarHBondContact O-N 3.19Å; L164-K168 WeakPolarHBondContact O-CB 3.19Å; L164-K168 PolarHBondContact O-N 3.4Å |
| 165 | A | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I121 A125 F126 L161 M162 I163 K168 F169 | I121-A165 HydrophobicContact CG2-CB 3.44Å; I121-A165 VanDerWaalsContact CG2-CB 3.44Å; A125-A165 HydrophobicContact CB-CB 3.65Å; F126-A165 HydrophobicContact CE2-CB 4.03Å; F126-A165 HydrophobicContact CZ-CB 3.87Å; L161-A165 PolarHBondContact O-N 3.47Å; M162-A165 WeakPolarHBondContact O-CB 3.31Å; M162-A165 PolarHBondContact O-N 2.88Å; I163-A165 VanDerWaalsContact C-N 3.27Å; I163-A165 PolarHBondContact O-N 2.83Å; A165-K168 WeakPolarHBondContact O-CB 2.99Å; A165-K168 PolarHBondContact O-N 3.4Å; A165-F169 WeakPolarHBondContact O-CD2 3.25Å; A165-F169 VanDerWaalsContact O-CG 3.31Å; A165-F169 WeakPolarHBondContact O-CG 3.34Å; A165-F169 PolarHBondContact O-N 2.81Å |
| 166 | F | 96.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | 176.3 | -71.1 | -7.2 | 0 | 0 | 0 | 112.1 | Y6 I121 M162 I163 K168 F169 E170 I194 M198 | Y6-F166 AromaticContact CE1-CE2 3.96Å; Y6-F166 HydrophobicContact CE1-CE2 3.96Å; Y6-F166 HydrophobicContact CE1-CZ 4.16Å; Y6-F166 HydrophobicContact CE2-CE2 4.14Å; Y6-F166 AromaticContact CZ-CE2 3.72Å; I121-F166 HydrophobicContact CD1-CE1 3.77Å; I121-F166 HydrophobicContact CD1-CZ 4.2Å; M162-F166 HydrophobicContact CE-CE2 4.09Å; M162-F166 HydrophobicContact CG-CD2 4.31Å; M162-F166 HydrophobicContact CG-CE1 4.07Å; M162-F166 HydrophobicContact CG-CE2 3.82Å; M162-F166 HydrophobicContact CG-CZ 3.68Å; M162-F166 WeakPolarHBondContact O-CG 3.46Å; M162-F166 PolarHBondContact O-N 3.1Å; M162-F166 HydrophobicContact SD-CE2 3.9Å; M162-F166 HydrophobicContact SD-CZ 3.86Å; I163-F166 PolarHBondContact O-N 3.42Å; I163-F166 VanDerWaalsContact O-N 3.15Å; F166-K168 PolarHBondContact O-N 2.78Å; F166-F169 HydrophobicContact CD1-CD2 4.14Å; F166-F169 HydrophobicContact CD1-CE2 4.39Å; F166-F169 PolarHBondContact O-N 2.83Å; F166-F169 VanDerWaalsContact O-N 3.08Å; F166-E170 WeakPolarHBondContact O-CG 3.15Å; F166-E170 PolarHBondContact O-N 3.19Å; F166-I194 HydrophobicContact CE1-CD1 3.83Å; F166-I194 HydrophobicContact CE1-CG2 4.32Å; F166-I194 HydrophobicContact CE2-CD1 4.47Å; F166-I194 HydrophobicContact CZ-CD1 3.53Å; F166-M198 HydrophobicContact CB-CE 4.13Å; F166-M198 HydrophobicContact CD1-CE 4.37Å; F166-M198 HydrophobicContact CG-CE 4.32Å |
| 167 | E | 95.3 | Very high | 95.8 | Very high | 71 Ų | 71 | 31.2 Ų | 31.2 | 33% | 0.332 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -58.5 | -35.4 | 174.3 | -71.5 | -176.8 | -178.3 | 0 | 0 | 112.1 | I163 K171 | I163-E167 HydrophobicContact CG2-CG 4.46Å; I163-E167 WeakPolarHBondContact O-CG 3.27Å; I163-E167 PolarHBondContact O-N 3.32Å; E167-K171 WeakPolarHBondContact O-CD 3.22Å; E167-K171 VanDerWaalsContact O-CG 3.32Å; E167-K171 WeakPolarHBondContact O-CG 3.42Å; E167-K171 PolarHBondContact O-N 3.18Å |
| 168 | K | 95.8 | Very high | 95.9 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66 | -46.6 | 174.3 | 179.1 | 169.6 | 179 | 163.6 | 0 | 111.3 | A125 F126 L164 A165 F166 K171 E373 | A125-K168 VanDerWaalsContact O-CD 3.26Å; A125-K168 WeakPolarHBondContact O-CD 3.38Å; A125-K168 WeakPolarHBondContact O-CE 3.08Å; A125-K168 PolarHBondContact O-NZ 2.8Å; F126-K168 HydrophobicContact CD1-CD 4.25Å; F126-K168 HydrophobicContact CE1-CD 4.12Å; L164-K168 WeakPolarHBondContact O-CB 3.19Å; L164-K168 PolarHBondContact O-N 3.4Å; A165-K168 WeakPolarHBondContact O-CB 2.99Å; A165-K168 PolarHBondContact O-N 3.4Å; F166-K168 PolarHBondContact O-N 2.78Å; K168-K171 PolarHBondContact O-N 3.4Å; K168-E373 WeakPolarHBondContact CE-OE1 3.33Å; K168-E373 IonicContact NZ-OE1 3.83Å; K168-E373 PolarHBondContact NZ-OE1 2.87Å; K168-E373 IonicContact NZ-OE2 2.87Å; K168-E373 PolarHBondContact NZ-OE2 3.19Å |
| 169 | F | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 176.2 | -62.4 | -31.1 | 0 | 0 | 0 | 112.2 | I121 I124 A125 A165 F166 K171 L172 L177 F195 M198 I369 | I121-F169 HydrophobicContact CG2-CE2 4.01Å; I121-F169 HydrophobicContact CG2-CZ 4.22Å; I124-F169 HydrophobicContact CB-CZ 4.44Å; I124-F169 HydrophobicContact CG2-CE1 3.93Å; I124-F169 HydrophobicContact CG2-CZ 3.96Å; A125-F169 HydrophobicContact CB-CE1 3.68Å; A125-F169 HydrophobicContact CB-CZ 3.66Å; A165-F169 WeakPolarHBondContact O-CD2 3.25Å; A165-F169 VanDerWaalsContact O-CG 3.31Å; A165-F169 WeakPolarHBondContact O-CG 3.34Å; A165-F169 PolarHBondContact O-N 2.81Å; F166-F169 HydrophobicContact CD1-CD2 4.14Å; F166-F169 HydrophobicContact CD1-CE2 4.39Å; F166-F169 PolarHBondContact O-N 2.83Å; F166-F169 VanDerWaalsContact O-N 3.08Å; F169-K171 PolarHBondContact O-N 2.88Å; F169-K171 VanDerWaalsContact O-N 3.15Å; F169-L172 HydrophobicContact CD1-CD1 4.13Å; F169-L172 VanDerWaalsContact O-CB 3.3Å; F169-L172 WeakPolarHBondContact O-CB 3.35Å; F169-L172 PolarHBondContact O-N 3.35Å; F169-L177 WeakPolarHBondContact O-CD2 3.5Å; F169-F195 HydrophobicContact CB-CE1 4.15Å; F169-F195 HydrophobicContact CD1-CE1 4.1Å; F169-F195 HydrophobicContact CD1-CZ 4.34Å; F169-F195 AromaticContact CD2-CE1 3.83Å; F169-F195 HydrophobicContact CD2-CE1 3.83Å; F169-F195 HydrophobicContact CD2-CZ 4.03Å; F169-F195 HydrophobicContact CE1-CE1 4.46Å; F169-F195 HydrophobicContact CE1-CZ 4.24Å; F169-F195 HydrophobicContact CE2-CE1 4.21Å; F169-F195 AromaticContact CE2-CZ 3.92Å; F169-F195 HydrophobicContact CE2-CZ 3.92Å; F169-F195 AromaticContact CG-CE1 3.78Å; F169-F195 HydrophobicContact CG-CE1 3.78Å; F169-F195 HydrophobicContact CG-CZ 4.25Å; F169-F195 HydrophobicContact CZ-CZ 4.03Å; F169-M198 HydrophobicContact CB-CE 3.92Å; F169-M198 HydrophobicContact CB-SD 3.63Å; F169-M198 HydrophobicContact CD2-CE 4.38Å; F169-I369 HydrophobicContact CD1-CD1 4.17Å; F169-I369 HydrophobicContact CE1-CD1 3.65Å |
| 170 | E | 93.8 | Very high | 96 | Very high | 95 Ų | 95 | 37 Ų | 37 | 44% | 0.444 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.2 | -27.8 | 179.9 | -71.9 | 169.6 | -168.7 | 0 | 0 | 113.3 | N34 F166 L172 M198 | N34-E170 PolarHBondContact ND2-OE1 3.15Å; F166-E170 WeakPolarHBondContact O-CG 3.15Å; F166-E170 PolarHBondContact O-N 3.19Å; E170-L172 VanDerWaalsContact C-N 3.34Å; E170-M198 HydrophobicContact CG-CE 3.87Å; E170-M198 HydrophobicContact CG-CG 4.41Å; E170-M198 HydrophobicContact CG-SD 4.37Å |
| 171 | K | 93.1 | Very high | 96.1 | Very high | 153 Ų | 153 | 35.3 Ų | 35.3 | 67% | 0.665 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -9.5 | 177.9 | -69.8 | 166.5 | -172.1 | 162.2 | 0 | 113.6 | E167 K168 F169 | E167-K171 WeakPolarHBondContact O-CD 3.22Å; E167-K171 VanDerWaalsContact O-CG 3.32Å; E167-K171 WeakPolarHBondContact O-CG 3.42Å; E167-K171 PolarHBondContact O-N 3.18Å; K168-K171 PolarHBondContact O-N 3.4Å; F169-K171 PolarHBondContact O-N 2.88Å; F169-K171 VanDerWaalsContact O-N 3.15Å |
| 172 | L | 95.1 | Very high | 96 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -71.8 | 150.2 | -176.5 | -67.9 | 172.8 | 0 | 0 | 0 | 112.3 | F169 E170 T176 L177 L180 Y202 I369 | F169-L172 HydrophobicContact CD1-CD1 4.13Å; F169-L172 VanDerWaalsContact O-CB 3.3Å; F169-L172 WeakPolarHBondContact O-CB 3.35Å; F169-L172 PolarHBondContact O-N 3.35Å; E170-L172 VanDerWaalsContact C-N 3.34Å; L172-T176 HydrophobicContact CD1-CG2 4.36Å; L172-L177 HydrophobicContact CB-CD1 4.44Å; L172-L177 HydrophobicContact CB-CD2 4.23Å; L172-L177 HydrophobicContact CB-CG 3.95Å; L172-L177 HydrophobicContact CD1-CD2 4.4Å; L172-L177 WeakPolarHBondContact O-CD1 3.44Å; L172-L180 HydrophobicContact CD1-CD1 3.52Å; L172-Y202 VanDerWaalsContact O-CE2 3.3Å; L172-Y202 WeakPolarHBondContact O-CE2 3.41Å; L172-I369 HydrophobicContact CD1-CD1 4.45Å; L172-I369 HydrophobicContact CD1-CG1 4.02Å |
| 173 | P | 95.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | trans | -58.2 | 144.4 | 171.3 | -25.7 | 35.8 | 0 | 0 | 0 | 112.8 | D175 T176 L177 L207 Y211 I218 | P173-D175 VanDerWaalsContact C-N 3.31Å; P173-D175 PolarHBondContact O-N 3.23Å; P173-T176 WeakPolarHBondContact O-CA 3.49Å; P173-T176 WeakPolarHBondContact O-CB 3.4Å; P173-T176 PolarHBondContact O-N 2.91Å; P173-L177 PolarHBondContact O-N 3.29Å; P173-L207 HydrophobicContact CB-CD1 3.88Å; P173-L207 HydrophobicContact CG-CD1 3.96Å; P173-Y211 HydrophobicContact CG-CD2 4.16Å; P173-Y211 HydrophobicContact CG-CE2 3.98Å; P173-I218 HydrophobicContact CB-CB 4.46Å; P173-I218 HydrophobicContact CB-CG1 4.3Å; P173-I218 HydrophobicContact CB-CG2 4.12Å; P173-I218 HydrophobicContact CG-CB 4.44Å; P173-I218 HydrophobicContact CG-CG2 3.77Å | ||
| 174 | L | 94.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 25% | 0.251 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -53.2 | -42.5 | -177.8 | -177.6 | 57.6 | 0 | 0 | 0 | 114.1 | T176 L177 K178 V199 Y202 | L174-T176 VanDerWaalsContact C-N 3.27Å; L174-T176 PolarHBondContact O-N 2.78Å; L174-L177 PolarHBondContact O-N 2.87Å; L174-K178 HydrophobicContact CD1-CG 4.4Å; L174-K178 HydrophobicContact CG-CD 4.32Å; L174-K178 WeakPolarHBondContact O-CG 3.47Å; L174-K178 PolarHBondContact O-N 2.84Å; L174-V199 HydrophobicContact CD1-CG1 4.16Å; L174-Y202 HydrophobicContact CB-CD1 3.88Å; L174-Y202 HydrophobicContact CB-CE1 3.68Å; L174-Y202 HydrophobicContact CB-CE2 4.39Å; L174-Y202 HydrophobicContact CB-CG 4.31Å; L174-Y202 HydrophobicContact CD1-CD1 3.94Å; L174-Y202 HydrophobicContact CD1-CD2 4.34Å; L174-Y202 HydrophobicContact CD1-CG 3.79Å; L174-Y202 HydrophobicContact CD2-CD1 4.11Å; L174-Y202 HydrophobicContact CD2-CE1 4.48Å; L174-Y202 HydrophobicContact CG-CD1 4.18Å; L174-Y202 HydrophobicContact CG-CE1 4.46Å; L174-Y202 HydrophobicContact CG-CG 4.49Å |
| 175 | D | 94.3 | Very high | 95.8 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 31% | 0.31 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.6 | -32.3 | 179.3 | -78.6 | -4.7 | 0 | 0 | 0 | 111.8 | P173 Q179 K213 I218 | P173-D175 VanDerWaalsContact C-N 3.31Å; P173-D175 PolarHBondContact O-N 3.23Å; D175-Q179 WeakPolarHBondContact O-CG 3.39Å; D175-Q179 PolarHBondContact O-N 3.44Å; D175-Q179 PolarHBondContact O-NE2 3.25Å; D175-Q179 VanDerWaalsContact O-NE2 3.11Å; D175-K213 IonicContact OD2-NZ 3.83Å; D175-K213 PolarHBondContact OD2-NZ 3.44Å; D175-I218 HydrophobicContact CB-CG1 4.12Å |
| 176 | T | 96.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.2 | -46.7 | 172.9 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | L172 P173 L174 K178 Q179 L180 L368 | L172-T176 HydrophobicContact CD1-CG2 4.36Å; P173-T176 WeakPolarHBondContact O-CA 3.49Å; P173-T176 WeakPolarHBondContact O-CB 3.4Å; P173-T176 PolarHBondContact O-N 2.91Å; L174-T176 VanDerWaalsContact C-N 3.27Å; L174-T176 PolarHBondContact O-N 2.78Å; T176-K178 VanDerWaalsContact C-N 3.33Å; T176-K178 PolarHBondContact O-N 3.19Å; T176-Q179 WeakPolarHBondContact O-CB 3.43Å; T176-Q179 PolarHBondContact O-N 3.3Å; T176-Q179 VanDerWaalsContact O-N 3.1Å; T176-L180 HydrophobicContact CG2-CD1 4.44Å; T176-L180 WeakPolarHBondContact O-CG 3.43Å; T176-L180 PolarHBondContact O-N 3.28Å; T176-L368 HydrophobicContact CG2-CB 4.25Å |
| 177 | L | 96.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -40.3 | 177.7 | -76.2 | 167 | 0 | 0 | 0 | 113.1 | F169 L172 P173 L174 Q179 L180 Y181 F195 M198 V199 Y202 | F169-L177 WeakPolarHBondContact O-CD2 3.5Å; L172-L177 HydrophobicContact CB-CD1 4.44Å; L172-L177 HydrophobicContact CB-CD2 4.23Å; L172-L177 HydrophobicContact CB-CG 3.95Å; L172-L177 HydrophobicContact CD1-CD2 4.4Å; L172-L177 WeakPolarHBondContact O-CD1 3.44Å; P173-L177 PolarHBondContact O-N 3.29Å; L174-L177 PolarHBondContact O-N 2.87Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.19Å; L177-L180 PolarHBondContact O-N 2.86Å; L177-Y181 WeakPolarHBondContact O-CB 3.49Å; L177-Y181 PolarHBondContact O-N 3.15Å; L177-F195 HydrophobicContact CD2-CD1 4.09Å; L177-F195 HydrophobicContact CD2-CE1 4.39Å; L177-M198 HydrophobicContact CD2-SD 4.48Å; L177-V199 HydrophobicContact CB-CG2 3.83Å; L177-Y202 HydrophobicContact CD1-CD2 3.67Å; L177-Y202 HydrophobicContact CD1-CE2 3.84Å |
| 178 | K | 96.6 | Very high | 95.2 | Very high | 96 Ų | 96 | 52.4 Ų | 52.4 | 42% | 0.417 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62 | -38.8 | 175.2 | -75.9 | 172.8 | 179.3 | 170.9 | 0 | 112.5 | L174 T176 Y182 V199 | L174-K178 HydrophobicContact CD1-CG 4.4Å; L174-K178 HydrophobicContact CG-CD 4.32Å; L174-K178 WeakPolarHBondContact O-CG 3.47Å; L174-K178 PolarHBondContact O-N 2.84Å; T176-K178 VanDerWaalsContact C-N 3.33Å; T176-K178 PolarHBondContact O-N 3.19Å; K178-Y182 PolarHBondContact O-N 3.13Å; K178-V199 HydrophobicContact CG-CG1 4.12Å; K178-V199 HydrophobicContact CG-CG2 4.26Å |
| 179 | Q | 97.2 | Very high | 95.1 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.1 | -43.6 | 176 | -73.7 | 175.4 | 87 | 0 | 0 | 111.2 | D175 T176 L177 Y181 Y182 L183 Q216 L368 | D175-Q179 WeakPolarHBondContact O-CG 3.39Å; D175-Q179 PolarHBondContact O-N 3.44Å; D175-Q179 PolarHBondContact O-NE2 3.25Å; D175-Q179 VanDerWaalsContact O-NE2 3.11Å; T176-Q179 WeakPolarHBondContact O-CB 3.43Å; T176-Q179 PolarHBondContact O-N 3.3Å; T176-Q179 VanDerWaalsContact O-N 3.1Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.19Å; Q179-Y181 VanDerWaalsContact C-N 3.32Å; Q179-Y181 PolarHBondContact O-N 2.99Å; Q179-Y182 PolarHBondContact O-N 2.86Å; Q179-L183 WeakPolarHBondContact O-CB 3.33Å; Q179-L183 VanDerWaalsContact O-CG 3.28Å; Q179-L183 WeakPolarHBondContact O-CG 3.45Å; Q179-L183 PolarHBondContact O-N 3.28Å; Q179-Q216 PolarHBondContact NE2-O 3.26Å; Q179-L368 HydrophobicContact CB-CD1 3.62Å |
| 180 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -44.5 | 173.7 | -65.8 | 179.3 | 0 | 0 | 0 | 111.3 | L172 T176 L177 Y182 L183 S184 F195 M365 L368 I369 | L172-L180 HydrophobicContact CD1-CD1 3.52Å; T176-L180 HydrophobicContact CG2-CD1 4.44Å; T176-L180 WeakPolarHBondContact O-CG 3.43Å; T176-L180 PolarHBondContact O-N 3.28Å; L177-L180 PolarHBondContact O-N 2.86Å; L180-Y182 PolarHBondContact O-N 3.03Å; L180-L183 PolarHBondContact O-N 2.76Å; L180-S184 WeakPolarHBondContact O-CB 3.08Å; L180-S184 PolarHBondContact O-N 2.9Å; L180-S184 PolarHBondContact O-OG 2.93Å; L180-S184 VanDerWaalsContact O-OG 3.05Å; L180-F195 HydrophobicContact CB-CD1 4.04Å; L180-F195 HydrophobicContact CB-CD2 4.31Å; L180-F195 HydrophobicContact CB-CE1 3.87Å; L180-F195 HydrophobicContact CB-CE2 4.14Å; L180-F195 HydrophobicContact CB-CG 4.26Å; L180-F195 HydrophobicContact CB-CZ 3.93Å; L180-F195 HydrophobicContact CD1-CE1 3.76Å; L180-F195 HydrophobicContact CD1-CZ 4.05Å; L180-F195 HydrophobicContact CG-CE1 4.45Å; L180-M365 HydrophobicContact CB-CE 4.19Å; L180-M365 HydrophobicContact CD2-CB 3.65Å; L180-M365 HydrophobicContact CD2-CE 3.92Å; L180-M365 HydrophobicContact CD2-CG 3.77Å; L180-L368 HydrophobicContact CD2-CB 4.35Å; L180-L368 HydrophobicContact CD2-CD1 4.25Å; L180-I369 HydrophobicContact CD1-CD1 4.08Å; L180-I369 HydrophobicContact CD1-CG1 4.16Å; L180-I369 HydrophobicContact CD2-CD1 4.31Å; L180-I369 HydrophobicContact CD2-CG1 4.43Å |
| 181 | Y | 97.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.9 | -50 | 173.5 | 168.7 | -115.2 | 0 | 0 | 0 | 112.2 | L177 Q179 L183 S184 K185 Y192 F195 F196 | L177-Y181 WeakPolarHBondContact O-CB 3.49Å; L177-Y181 PolarHBondContact O-N 3.15Å; Q179-Y181 VanDerWaalsContact C-N 3.32Å; Q179-Y181 PolarHBondContact O-N 2.99Å; Y181-L183 PolarHBondContact O-N 3.38Å; Y181-S184 WeakPolarHBondContact CA-OG 3.44Å; Y181-S184 PolarHBondContact O-N 3.47Å; Y181-S184 PolarHBondContact O-OG 2.96Å; Y181-K185 WeakPolarHBondContact OH-CE 3.38Å; Y181-K185 PolarHBondContact OH-NZ 3.45Å; Y181-K185 VanDerWaalsContact OH-NZ 3.09Å; Y181-Y192 VanDerWaalsContact CD2-O 3.31Å; Y181-Y192 WeakPolarHBondContact CD2-O 3.15Å; Y181-F195 HydrophobicContact CD2-CB 4.33Å; Y181-F196 HydrophobicContact CD2-CB 3.96Å; Y181-F196 HydrophobicContact CE2-CB 3.68Å; Y181-F196 HydrophobicContact CE2-CD2 4.08Å; Y181-F196 HydrophobicContact CE2-CG 4.32Å; Y181-F196 AromaticContact CZ-CD2 3.96Å |
| 182 | Y | 95.5 | Very high | 95.2 | Very high | 160 Ų | 160 | 45.6 Ų | 45.6 | 63% | 0.627 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -62.7 | -45.4 | -179.2 | -178.7 | -96.1 | 0 | 0 | 0 | 112.4 | K178 Q179 L180 K185 | K178-Y182 PolarHBondContact O-N 3.13Å; Q179-Y182 PolarHBondContact O-N 2.86Å; L180-Y182 PolarHBondContact O-N 3.03Å; Y182-K185 PolarHBondContact O-N 3.1Å |
| 183 | L | 96 | Very high | 95.1 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.5 | -37.1 | 180 | -66.8 | 169.3 | 0 | 0 | 0 | 112 | Q179 L180 Y181 K185 Q186 L351 N361 K364 M365 L368 | Q179-L183 WeakPolarHBondContact O-CB 3.33Å; Q179-L183 VanDerWaalsContact O-CG 3.28Å; Q179-L183 WeakPolarHBondContact O-CG 3.45Å; Q179-L183 PolarHBondContact O-N 3.28Å; L180-L183 PolarHBondContact O-N 2.76Å; Y181-L183 PolarHBondContact O-N 3.38Å; L183-K185 PolarHBondContact O-N 2.95Å; L183-K185 VanDerWaalsContact O-N 3.12Å; L183-Q186 PolarHBondContact O-N 3.39Å; L183-Q186 VanDerWaalsContact O-N 3.1Å; L183-L351 HydrophobicContact CD1-CD2 4.46Å; L183-N361 WeakPolarHBondContact CD2-OD1 3.26Å; L183-K364 HydrophobicContact CD1-CB 3.74Å; L183-K364 HydrophobicContact CD2-CB 4.19Å; L183-K364 HydrophobicContact CD2-CD 3.61Å; L183-M365 HydrophobicContact CB-CG 3.69Å; L183-M365 HydrophobicContact CB-SD 3.96Å; L183-M365 HydrophobicContact CD1-CG 3.76Å; L183-M365 HydrophobicContact CG-CG 4.38Å; L183-L368 HydrophobicContact CD1-CD1 3.62Å |
| 184 | S | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -18.2 | -178.4 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | L180 Y181 Q186 L187 Y192 | L180-S184 WeakPolarHBondContact O-CB 3.08Å; L180-S184 PolarHBondContact O-N 2.9Å; L180-S184 PolarHBondContact O-OG 2.93Å; L180-S184 VanDerWaalsContact O-OG 3.05Å; Y181-S184 WeakPolarHBondContact CA-OG 3.44Å; Y181-S184 PolarHBondContact O-N 3.47Å; Y181-S184 PolarHBondContact O-OG 2.96Å; S184-Q186 PolarHBondContact O-N 3.22Å; S184-L187 WeakPolarHBondContact O-CB 3.46Å; S184-L187 WeakPolarHBondContact O-CG 3.21Å; S184-L187 PolarHBondContact O-N 2.8Å; S184-L187 VanDerWaalsContact O-N 3.14Å; S184-Y192 WeakPolarHBondContact OG-CA 3.28Å; S184-Y192 WeakPolarHBondContact OG-CB 3.46Å |
| 185 | K | 94.8 | Very high | 95.1 | Very high | 99 Ų | 99 | 44.9 Ų | 44.9 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.8 | 174.3 | -65.6 | -178.2 | 178.5 | -175.1 | 0 | 113.8 | Y181 Y182 L183 Y192 | Y181-K185 WeakPolarHBondContact OH-CE 3.38Å; Y181-K185 PolarHBondContact OH-NZ 3.45Å; Y181-K185 VanDerWaalsContact OH-NZ 3.09Å; Y182-K185 PolarHBondContact O-N 3.1Å; L183-K185 PolarHBondContact O-N 2.95Å; L183-K185 VanDerWaalsContact O-N 3.12Å; K185-Y192 HydrophobicContact CG-CG 4.46Å |
| 186 | Q | 92.5 | Very high | 95.1 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 45% | 0.453 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 3.8 | 177.9 | -56.1 | -60.8 | -37.2 | 0 | 0 | 112.4 | L183 S184 N361 | L183-Q186 PolarHBondContact O-N 3.39Å; L183-Q186 VanDerWaalsContact O-N 3.1Å; S184-Q186 PolarHBondContact O-N 3.22Å; Q186-N361 HydrophobicContact CB-CB 4.44Å |
| 187 | L | 93.3 | Very high | 95 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -80.3 | 167.9 | 174 | -57.8 | 179.3 | 0 | 0 | 0 | 110.7 | I124 S184 Y189 L191 Y358 I362 M365 | I124-L187 HydrophobicContact CD1-CD1 3.95Å; S184-L187 WeakPolarHBondContact O-CB 3.46Å; S184-L187 WeakPolarHBondContact O-CG 3.21Å; S184-L187 PolarHBondContact O-N 2.8Å; S184-L187 VanDerWaalsContact O-N 3.14Å; L187-Y189 VanDerWaalsContact C-N 3.32Å; L187-Y189 PolarHBondContact O-N 2.86Å; L187-L191 HydrophobicContact CD1-CB 4.32Å; L187-L191 HydrophobicContact CD1-CD2 3.84Å; L187-Y358 HydrophobicContact CD2-CD2 4.03Å; L187-Y358 HydrophobicContact CD2-CE2 3.81Å; L187-I362 HydrophobicContact CD2-CD1 3.5Å; L187-I362 HydrophobicContact CD2-CG1 4.07Å; L187-M365 HydrophobicContact CD1-CE 4.28Å; L187-M365 HydrophobicContact CD1-SD 4.01Å; L187-M365 HydrophobicContact CD2-SD 4.45Å |
| 188 | K | 91 | Very high | 94.8 | Very high | 127 Ų | 127 | 50.3 Ų | 50.3 | 55% | 0.552 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -72 | -29.8 | -174.9 | -64.7 | 178.8 | 178.9 | -177.9 | 0 | 112.9 | E120 Y358 | E120-K188 PolarHBondContact OE1-N 3.11Å; K188-Y358 HydrophobicContact CD-CE2 4.48Å; K188-Y358 HydrophobicContact CG-CD2 4.18Å; K188-Y358 HydrophobicContact CG-CE2 4.11Å |
| 189 | Y | 94 | Very high | 94.7 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 11% | 0.114 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -125.1 | -172.1 | -167.6 | -60.5 | -64.2 | 0 | 0 | 0 | 112.4 | V92 D93 V115 D117 E120 L187 L191 | V92-Y189 HydrophobicContact CG1-CD1 4.31Å; V92-Y189 HydrophobicContact CG1-CD2 4Å; V92-Y189 HydrophobicContact CG1-CE1 3.72Å; V92-Y189 HydrophobicContact CG1-CE2 3.38Å; V92-Y189 HydrophobicContact CG1-CG 4.43Å; V92-Y189 WeakPolarHBondContact CG1-OH 3.27Å; D93-Y189 PolarHBondContact OD1-OH 3.35Å; D93-Y189 PolarHBondContact OD2-OH 3.02Å; V115-Y189 HydrophobicContact CB-CD1 3.88Å; V115-Y189 HydrophobicContact CB-CE1 4.46Å; V115-Y189 HydrophobicContact CG1-CD1 3.61Å; V115-Y189 HydrophobicContact CG1-CE1 3.84Å; V115-Y189 HydrophobicContact CG1-CG 4.31Å; V115-Y189 WeakPolarHBondContact O-CB 3.4Å; D117-Y189 HydrophobicContact CB-CD2 3.57Å; D117-Y189 HydrophobicContact CB-CE2 3.7Å; E120-Y189 WeakPolarHBondContact OE2-CD2 3.36Å; L187-Y189 VanDerWaalsContact C-N 3.32Å; L187-Y189 PolarHBondContact O-N 2.86Å; Y189-L191 VanDerWaalsContact C-N 3.29Å; Y189-L191 PolarHBondContact O-N 2.76Å; Y189-L191 VanDerWaalsContact O-N 3.16Å |
| 190 | D | 95 | Very high | 94.6 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 20% | 0.198 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 28.9 | -164.3 | -57.9 | -68.1 | 0 | 0 | 0 | 114.6 | K114 V115 Y192 D193 | K114-D190 VanDerWaalsContact CA-OD2 3.24Å; K114-D190 WeakPolarHBondContact CA-OD2 3.37Å; K114-D190 HydrophobicContact CB-CB 4.09Å; K114-D190 HydrophobicContact CG-CB 4.35Å; V115-D190 PolarHBondContact N-OD2 3.2Å; V115-D190 WeakPolarHBondContact O-CB 3.26Å; V115-D190 PolarHBondContact O-N 3.46Å; D190-Y192 HydrophobicContact CB-CE1 4.27Å; D190-Y192 PolarHBondContact O-N 2.85Å; D190-Y192 PolarHBondContact OD1-OH 3.42Å; D190-D193 PolarHBondContact O-N 2.86Å |
| 191 | L | 94.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -28.4 | 179.8 | -176.1 | 58.3 | 0 | 0 | 0 | 112.6 | I121 I124 L187 Y189 D193 I194 F195 | I121-L191 HydrophobicContact CD1-CD1 4.1Å; I121-L191 HydrophobicContact CG1-CD1 3.81Å; I121-L191 HydrophobicContact CG1-CD2 4.12Å; I124-L191 HydrophobicContact CD1-CD2 3.79Å; L187-L191 HydrophobicContact CD1-CB 4.32Å; L187-L191 HydrophobicContact CD1-CD2 3.84Å; Y189-L191 VanDerWaalsContact C-N 3.29Å; Y189-L191 PolarHBondContact O-N 2.76Å; Y189-L191 VanDerWaalsContact O-N 3.16Å; L191-D193 PolarHBondContact O-N 3.13Å; L191-I194 HydrophobicContact CD1-CB 4.34Å; L191-I194 HydrophobicContact CD1-CD1 3.78Å; L191-I194 WeakPolarHBondContact O-CB 3.29Å; L191-I194 PolarHBondContact O-N 2.65Å; L191-I194 VanDerWaalsContact O-N 3.1Å; L191-F195 HydrophobicContact CD1-CE2 4.19Å; L191-F195 HydrophobicContact CD2-CE2 3.72Å; L191-F195 HydrophobicContact CD2-CZ 4.4Å; L191-F195 HydrophobicContact CG-CD2 4Å; L191-F195 HydrophobicContact CG-CE2 3.61Å; L191-F195 HydrophobicContact CG-CZ 4.47Å; L191-F195 PolarHBondContact O-N 3.46Å |
| 192 | Y | 95.8 | Very high | 94 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 29% | 0.286 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.1 | -29 | 178.2 | 68 | -89.9 | 0 | 0 | 0 | 113.6 | Y181 S184 K185 D190 I194 F195 F196 | Y181-Y192 VanDerWaalsContact CD2-O 3.31Å; Y181-Y192 WeakPolarHBondContact CD2-O 3.15Å; S184-Y192 WeakPolarHBondContact OG-CA 3.28Å; S184-Y192 WeakPolarHBondContact OG-CB 3.46Å; K185-Y192 HydrophobicContact CG-CG 4.46Å; D190-Y192 HydrophobicContact CB-CE1 4.27Å; D190-Y192 PolarHBondContact O-N 2.85Å; D190-Y192 PolarHBondContact OD1-OH 3.42Å; Y192-I194 VanDerWaalsContact C-N 3.31Å; Y192-F195 PolarHBondContact O-N 3.46Å; Y192-F196 WeakPolarHBondContact O-CB 3.44Å; Y192-F196 PolarHBondContact O-N 2.84Å |
| 193 | D | 93.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 57.9 Ų | 57.9 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.2 | -34.5 | 176.9 | -79.6 | -40.6 | 0 | 0 | 0 | 111.8 | K114 D190 L191 F196 E197 | K114-D193 HydrophobicContact CD-CB 4.49Å; K114-D193 WeakPolarHBondContact CD-OD2 3.34Å; K114-D193 WeakPolarHBondContact CE-OD2 3.28Å; K114-D193 IonicContact NZ-OD1 3.68Å; K114-D193 IonicContact NZ-OD2 2.7Å; K114-D193 PolarHBondContact NZ-OD2 3.32Å; D190-D193 PolarHBondContact O-N 2.86Å; L191-D193 PolarHBondContact O-N 3.13Å; D193-F196 PolarHBondContact O-N 3.07Å; D193-E197 PolarHBondContact O-N 3.12Å; D193-E197 VanDerWaalsContact O-N 3.09Å |
| 194 | I | 92.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 62.2 Ų | 62.2 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.8 | -49.9 | 176.7 | -62.2 | 168.2 | 0 | 0 | 0 | 109.4 | Y6 I116 F166 L191 Y192 F196 E197 M198 | Y6-I194 HydrophobicContact CE1-CD1 4.29Å; I116-I194 HydrophobicContact CD1-CD1 3.27Å; I116-I194 HydrophobicContact CD1-CG1 4.3Å; I116-I194 HydrophobicContact CG1-CD1 4.22Å; F166-I194 HydrophobicContact CE1-CD1 3.83Å; F166-I194 HydrophobicContact CE1-CG2 4.32Å; F166-I194 HydrophobicContact CE2-CD1 4.47Å; F166-I194 HydrophobicContact CZ-CD1 3.53Å; L191-I194 HydrophobicContact CD1-CB 4.34Å; L191-I194 HydrophobicContact CD1-CD1 3.78Å; L191-I194 WeakPolarHBondContact O-CB 3.29Å; L191-I194 PolarHBondContact O-N 2.65Å; L191-I194 VanDerWaalsContact O-N 3.1Å; Y192-I194 VanDerWaalsContact C-N 3.31Å; I194-F196 PolarHBondContact O-N 3.17Å; I194-E197 PolarHBondContact O-N 3.41Å; I194-M198 HydrophobicContact CG2-CE 3.59Å; I194-M198 HydrophobicContact CG2-CG 4.44Å; I194-M198 HydrophobicContact CG2-SD 4.1Å; I194-M198 WeakPolarHBondContact O-CG 3.19Å; I194-M198 PolarHBondContact O-N 3.13Å |
| 195 | F | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.8 | -35 | 177.1 | -72.5 | -57.3 | 0 | 0 | 0 | 112.2 | F169 L177 L180 Y181 L191 Y192 M198 V199 M365 | F169-F195 HydrophobicContact CB-CE1 4.15Å; F169-F195 HydrophobicContact CD1-CE1 4.1Å; F169-F195 HydrophobicContact CD1-CZ 4.34Å; F169-F195 AromaticContact CD2-CE1 3.83Å; F169-F195 HydrophobicContact CD2-CE1 3.83Å; F169-F195 HydrophobicContact CD2-CZ 4.03Å; F169-F195 HydrophobicContact CE1-CE1 4.46Å; F169-F195 HydrophobicContact CE1-CZ 4.24Å; F169-F195 HydrophobicContact CE2-CE1 4.21Å; F169-F195 AromaticContact CE2-CZ 3.92Å; F169-F195 HydrophobicContact CE2-CZ 3.92Å; F169-F195 AromaticContact CG-CE1 3.78Å; F169-F195 HydrophobicContact CG-CE1 3.78Å; F169-F195 HydrophobicContact CG-CZ 4.25Å; F169-F195 HydrophobicContact CZ-CZ 4.03Å; L177-F195 HydrophobicContact CD2-CD1 4.09Å; L177-F195 HydrophobicContact CD2-CE1 4.39Å; L180-F195 HydrophobicContact CB-CD1 4.04Å; L180-F195 HydrophobicContact CB-CD2 4.31Å; L180-F195 HydrophobicContact CB-CE1 3.87Å; L180-F195 HydrophobicContact CB-CE2 4.14Å; L180-F195 HydrophobicContact CB-CG 4.26Å; L180-F195 HydrophobicContact CB-CZ 3.93Å; L180-F195 HydrophobicContact CD1-CE1 3.76Å; L180-F195 HydrophobicContact CD1-CZ 4.05Å; L180-F195 HydrophobicContact CG-CE1 4.45Å; Y181-F195 HydrophobicContact CD2-CB 4.33Å; L191-F195 HydrophobicContact CD1-CE2 4.19Å; L191-F195 HydrophobicContact CD2-CE2 3.72Å; L191-F195 HydrophobicContact CD2-CZ 4.4Å; L191-F195 HydrophobicContact CG-CD2 4Å; L191-F195 HydrophobicContact CG-CE2 3.61Å; L191-F195 HydrophobicContact CG-CZ 4.47Å; L191-F195 PolarHBondContact O-N 3.46Å; Y192-F195 PolarHBondContact O-N 3.46Å; F195-M198 HydrophobicContact CD1-SD 4.23Å; F195-M198 PolarHBondContact O-N 3.45Å; F195-V199 WeakPolarHBondContact O-CB 3.32Å; F195-V199 VanDerWaalsContact O-CG2 3.27Å; F195-V199 WeakPolarHBondContact O-CG2 3.42Å; F195-V199 PolarHBondContact O-N 3.04Å; F195-M365 HydrophobicContact CD2-CE 4.39Å; F195-M365 HydrophobicContact CE2-CE 3.52Å; F195-M365 HydrophobicContact CZ-CE 4.04Å |
| 196 | F | 95.4 | Very high | 91.8 | Very high | 90 Ų | 90 | 70.1 Ų | 70.1 | 40% | 0.395 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 174.2 | 178.1 | -102.1 | 0 | 0 | 0 | 111.8 | Y181 Y192 D193 I194 V199 R200 | Y181-F196 HydrophobicContact CD2-CB 3.96Å; Y181-F196 HydrophobicContact CE2-CB 3.68Å; Y181-F196 HydrophobicContact CE2-CD2 4.08Å; Y181-F196 HydrophobicContact CE2-CG 4.32Å; Y181-F196 AromaticContact CZ-CD2 3.96Å; Y192-F196 WeakPolarHBondContact O-CB 3.44Å; Y192-F196 PolarHBondContact O-N 2.84Å; D193-F196 PolarHBondContact O-N 3.07Å; I194-F196 PolarHBondContact O-N 3.17Å; F196-V199 PolarHBondContact O-N 3.37Å; F196-R200 VanDerWaalsContact O-CB 3.28Å; F196-R200 WeakPolarHBondContact O-CB 3.27Å; F196-R200 PolarHBondContact O-N 3.48Å |
| 197 | E | 92.8 | Very high | 91.6 | Very high | 63 Ų | 63 | 69.4 Ų | 69.4 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 177.3 | -74 | -62 | 142.5 | 0 | 0 | 111.7 | D193 I194 V199 R200 Q201 | D193-E197 PolarHBondContact O-N 3.12Å; D193-E197 VanDerWaalsContact O-N 3.09Å; I194-E197 PolarHBondContact O-N 3.41Å; E197-V199 PolarHBondContact O-N 3.37Å; E197-R200 PolarHBondContact O-N 3.42Å; E197-R200 IonicContact OE1-NH1 2.98Å; E197-R200 PolarHBondContact OE1-NH1 3.49Å; E197-R200 IonicContact OE2-NH1 3.32Å; E197-R200 PolarHBondContact OE2-NH1 2.97Å; E197-Q201 WeakPolarHBondContact O-CB 3.46Å; E197-Q201 VanDerWaalsContact O-CG 3.27Å; E197-Q201 WeakPolarHBondContact O-CG 3.33Å; E197-Q201 PolarHBondContact O-N 2.88Å; E197-Q201 PolarHBondContact OE2-NE2 3.01Å |
| 198 | M | 94 | Very high | 91.5 | Very high | 21 Ų | 21 | 73.4 Ų | 73.4 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 174.1 | -70.4 | 177.2 | 174.5 | 0 | 0 | 112.2 | F166 F169 E170 L177 I194 F195 R200 Q201 Y202 | F166-M198 HydrophobicContact CB-CE 4.13Å; F166-M198 HydrophobicContact CD1-CE 4.37Å; F166-M198 HydrophobicContact CG-CE 4.32Å; F169-M198 HydrophobicContact CB-CE 3.92Å; F169-M198 HydrophobicContact CB-SD 3.63Å; F169-M198 HydrophobicContact CD2-CE 4.38Å; E170-M198 HydrophobicContact CG-CE 3.87Å; E170-M198 HydrophobicContact CG-CG 4.41Å; E170-M198 HydrophobicContact CG-SD 4.37Å; L177-M198 HydrophobicContact CD2-SD 4.48Å; I194-M198 HydrophobicContact CG2-CE 3.59Å; I194-M198 HydrophobicContact CG2-CG 4.44Å; I194-M198 HydrophobicContact CG2-SD 4.1Å; I194-M198 WeakPolarHBondContact O-CG 3.19Å; I194-M198 PolarHBondContact O-N 3.13Å; F195-M198 HydrophobicContact CD1-SD 4.23Å; F195-M198 PolarHBondContact O-N 3.45Å; M198-R200 VanDerWaalsContact C-N 3.35Å; M198-Q201 PolarHBondContact O-N 3.39Å; M198-Y202 WeakPolarHBondContact O-CB 3.49Å; M198-Y202 PolarHBondContact O-N 3.15Å; M198-Y202 VanDerWaalsContact O-N 3.07Å |
| 199 | V | 94.8 | Very high | 91.5 | Very high | 34 Ų | 34 | 76.5 Ų | 76.5 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 176.2 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | L174 L177 K178 F195 F196 E197 Y202 | L174-V199 HydrophobicContact CD1-CG1 4.16Å; L177-V199 HydrophobicContact CB-CG2 3.83Å; K178-V199 HydrophobicContact CG-CG1 4.12Å; K178-V199 HydrophobicContact CG-CG2 4.26Å; F195-V199 WeakPolarHBondContact O-CB 3.32Å; F195-V199 VanDerWaalsContact O-CG2 3.27Å; F195-V199 WeakPolarHBondContact O-CG2 3.42Å; F195-V199 PolarHBondContact O-N 3.04Å; F196-V199 PolarHBondContact O-N 3.37Å; E197-V199 PolarHBondContact O-N 3.37Å; V199-Y202 WeakPolarHBondContact O-CB 3.34Å; V199-Y202 PolarHBondContact O-N 3.31Å |
| 200 | R | 93.3 | Very high | 91.5 | Very high | 167 Ų | 167 | 77.7 Ų | 77.7 | 63% | 0.63 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.9 | -36.2 | 179.9 | 178.7 | -174.9 | 166.4 | -157.8 | -3.2 | 112.5 | F196 E197 M198 | F196-R200 VanDerWaalsContact O-CB 3.28Å; F196-R200 WeakPolarHBondContact O-CB 3.27Å; F196-R200 PolarHBondContact O-N 3.48Å; E197-R200 PolarHBondContact O-N 3.42Å; E197-R200 IonicContact OE1-NH1 2.98Å; E197-R200 PolarHBondContact OE1-NH1 3.49Å; E197-R200 IonicContact OE2-NH1 3.32Å; E197-R200 PolarHBondContact OE2-NH1 2.97Å; M198-R200 VanDerWaalsContact C-N 3.35Å |
| 201 | Q | 91.7 | Very high | 91.5 | Very high | 125 Ų | 125 | 78.6 Ų | 78.6 | 58% | 0.584 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -1.2 | -179.6 | -64.3 | 175.8 | 19.9 | 0 | 0 | 112.9 | E197 M198 D203 | E197-Q201 WeakPolarHBondContact O-CB 3.46Å; E197-Q201 VanDerWaalsContact O-CG 3.27Å; E197-Q201 WeakPolarHBondContact O-CG 3.33Å; E197-Q201 PolarHBondContact O-N 2.88Å; E197-Q201 PolarHBondContact OE2-NE2 3.01Å; M198-Q201 PolarHBondContact O-N 3.39Å; Q201-D203 PolarHBondContact O-N 3.34Å |
| 202 | Y | 91.3 | Very high | 91.6 | Very high | 67 Ų | 67 | 81.7 Ų | 81.7 | 26% | 0.263 | 41% | 0.409 | S | S | . | . | trans | -65.6 | 117 | -177 | -165.3 | -87.6 | 0 | 0 | 0 | 111.9 | L172 L174 L177 M198 V199 A204 | L172-Y202 VanDerWaalsContact O-CE2 3.3Å; L172-Y202 WeakPolarHBondContact O-CE2 3.41Å; L174-Y202 HydrophobicContact CB-CD1 3.88Å; L174-Y202 HydrophobicContact CB-CE1 3.68Å; L174-Y202 HydrophobicContact CB-CE2 4.39Å; L174-Y202 HydrophobicContact CB-CG 4.31Å; L174-Y202 HydrophobicContact CD1-CD1 3.94Å; L174-Y202 HydrophobicContact CD1-CD2 4.34Å; L174-Y202 HydrophobicContact CD1-CG 3.79Å; L174-Y202 HydrophobicContact CD2-CD1 4.11Å; L174-Y202 HydrophobicContact CD2-CE1 4.48Å; L174-Y202 HydrophobicContact CG-CD1 4.18Å; L174-Y202 HydrophobicContact CG-CE1 4.46Å; L174-Y202 HydrophobicContact CG-CG 4.49Å; L177-Y202 HydrophobicContact CD1-CD2 3.67Å; L177-Y202 HydrophobicContact CD1-CE2 3.84Å; M198-Y202 WeakPolarHBondContact O-CB 3.49Å; M198-Y202 PolarHBondContact O-N 3.15Å; M198-Y202 VanDerWaalsContact O-N 3.07Å; V199-Y202 WeakPolarHBondContact O-CB 3.34Å; V199-Y202 PolarHBondContact O-N 3.31Å; Y202-A204 PolarHBondContact O-N 3.23Å | ||
| 203 | D | 87.2 | Confident | 91.5 | Very high | 109 Ų | 109 | 83.6 Ų | 83.6 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | trans | -66.9 | 120.9 | 171.4 | -72.6 | -31.8 | 0 | 0 | 0 | 110.4 | Q201 K205 | Q201-D203 PolarHBondContact O-N 3.34Å; D203-K205 HydrophobicContact CB-CD 4.5Å; D203-K205 HydrophobicContact CB-CG 4.46Å; D203-K205 PolarHBondContact O-N 3.11Å; D203-K205 IonicContact OD2-NZ 3.46Å | ||
| 204 | A | 80.5 | Confident | 91.6 | Very high | 103 Ų | 103 | 83.1 Ų | 83.1 | 85% | 0.851 | 41% | 0.414 | S | S | * | . | trans | -61.5 | 98 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y202 | Y202-A204 PolarHBondContact O-N 3.23Š| ||
| 205 | K | 83.4 | Confident | 91.5 | Very high | 140 Ų | 140 | 87.3 Ų | 87.3 | 61% | 0.609 | 43% | 0.434 | S | S | * | . | trans | -116.8 | 146.1 | 175.7 | -67.7 | 171.5 | -172.1 | 164.5 | 0 | 109.8 | D203 | D203-K205 HydrophobicContact CB-CD 4.5Å; D203-K205 HydrophobicContact CB-CG 4.46Å; D203-K205 PolarHBondContact O-N 3.11Å; D203-K205 IonicContact OD2-NZ 3.46Å | ||
| 206 | P | 86.2 | Confident | 91.3 | Very high | 125 Ų | 125 | 93.9 Ų | 93.9 | 81% | 0.812 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 148.9 | 171.8 | 27.6 | -33.4 | 0 | 0 | 0 | 110 | D208 | P206-D208 PolarHBondContact O-N 3.29Š|
| 207 | L | 88.6 | Confident | 91.3 | Very high | 82 Ų | 82 | 89.7 Ų | 89.7 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -59 | 132.5 | 177.5 | -175.3 | 67 | 0 | 0 | 0 | 110.3 | P173 Y211 I218 | P173-L207 HydrophobicContact CB-CD1 3.88Å; P173-L207 HydrophobicContact CG-CD1 3.96Å; L207-Y211 HydrophobicContact CD1-CD2 3.81Å; L207-Y211 HydrophobicContact CD1-CG 4.11Å; L207-Y211 HydrophobicContact CG-CD2 4.41Å; L207-I218 HydrophobicContact CD1-CG2 3.9Å; L207-I218 HydrophobicContact CD2-CD1 4.12Å; L207-I218 HydrophobicContact CD2-CG2 4.3Å |
| 208 | D | 89.3 | Confident | 91.5 | Very high | 101 Ų | 101 | 86.9 Ų | 86.9 | 54% | 0.54 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 146.2 | 177.1 | -164.9 | -67.3 | 0 | 0 | 0 | 111 | P206 S210 Y211 | P206-D208 PolarHBondContact O-N 3.29Å; D208-S210 PolarHBondContact O-N 3.27Å; D208-S210 VanDerWaalsContact O-N 3.16Å; D208-S210 WeakPolarHBondContact OD1-CB 3.41Å; D208-S210 PolarHBondContact OD1-N 2.82Å; D208-S210 PolarHBondContact OD1-OG 3.35Å; D208-S210 VanDerWaalsContact OD1-OG 3.08Å; D208-Y211 HydrophobicContact CB-CD2 3.87Å; D208-Y211 HydrophobicContact CB-CE2 4.16Å; D208-Y211 PolarHBondContact O-N 3.08Å |
| 209 | K | 92.3 | Very high | 91.7 | Very high | 192 Ų | 192 | 86.5 Ų | 86.5 | 84% | 0.835 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.4 | 177.3 | -63.4 | -179.4 | -178.6 | 176.7 | 0 | 113 | Y211 | K209-Y211 PolarHBondContact O-N 3.16Š|
| 210 | S | 93.4 | Very high | 91.8 | Very high | 54 Ų | 54 | 90 Ų | 90 | 38% | 0.378 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -10.4 | 172.2 | 67.8 | 0 | 0 | 0 | 0 | 113.4 | D208 K221 | D208-S210 PolarHBondContact O-N 3.27Å; D208-S210 VanDerWaalsContact O-N 3.16Å; D208-S210 WeakPolarHBondContact OD1-CB 3.41Å; D208-S210 PolarHBondContact OD1-N 2.82Å; D208-S210 PolarHBondContact OD1-OG 3.35Å; D208-S210 VanDerWaalsContact OD1-OG 3.08Å; S210-K221 VanDerWaalsContact O-CB 3.22Å; S210-K221 WeakPolarHBondContact O-CB 2.95Å; S210-K221 PolarHBondContact O-N 2.86Å |
| 211 | Y | 96.1 | Very high | 91.8 | Very high | 56 Ų | 56 | 86.4 Ų | 86.4 | 22% | 0.22 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 152.2 | -179.7 | -62.5 | -65.3 | 0 | 0 | 0 | 112.7 | P173 L207 D208 K209 I218 Y219 T372 | P173-Y211 HydrophobicContact CG-CD2 4.16Å; P173-Y211 HydrophobicContact CG-CE2 3.98Å; L207-Y211 HydrophobicContact CD1-CD2 3.81Å; L207-Y211 HydrophobicContact CD1-CG 4.11Å; L207-Y211 HydrophobicContact CG-CD2 4.41Å; D208-Y211 HydrophobicContact CB-CD2 3.87Å; D208-Y211 HydrophobicContact CB-CE2 4.16Å; D208-Y211 PolarHBondContact O-N 3.08Å; K209-Y211 PolarHBondContact O-N 3.16Å; Y211-I218 HydrophobicContact CD1-CG2 4.04Å; Y211-I218 HydrophobicContact CG-CG2 3.94Å; Y211-Y219 VanDerWaalsContact CA-O 3.32Å; Y211-Y219 WeakPolarHBondContact CA-O 2.85Å; Y211-T372 HydrophobicContact CE1-CG2 4.45Å |
| 212 | E | 95.1 | Very high | 91.9 | Very high | 66 Ų | 66 | 81.5 Ų | 81.5 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 167.7 | 166.2 | -77 | -179.7 | 173.2 | 0 | 0 | 109.7 | I218 Y219 K221 | E212-I218 WeakPolarHBondContact O-CA 2.9Å; E212-Y219 HydrophobicContact CB-CD1 4.3Å; E212-Y219 HydrophobicContact CB-CE1 3.61Å; E212-Y219 HydrophobicContact CB-CE2 3.84Å; E212-Y219 VanDerWaalsContact CB-OH 3.31Å; E212-Y219 WeakPolarHBondContact CB-OH 3.34Å; E212-Y219 PolarHBondContact N-O 2.63Å; E212-Y219 WeakPolarHBondContact O-CD1 3.39Å; E212-Y219 PolarHBondContact O-N 3.2Å; E212-Y219 PolarHBondContact OE2-OH 2.95Å; E212-K221 HydrophobicContact CG-CB 4.03Å; E212-K221 HydrophobicContact CG-CD 4Å; E212-K221 HydrophobicContact CG-CG 3.94Å; E212-K221 WeakPolarHBondContact OE1-CD 3.27Å; E212-K221 WeakPolarHBondContact OE1-CE 3.26Å; E212-K221 WeakPolarHBondContact OE1-CG 3.35Å; E212-K221 IonicContact OE1-NZ 2.67Å; E212-K221 PolarHBondContact OE1-NZ 2.54Å |
| 213 | K | 94.8 | Very high | 91.8 | Very high | 112 Ų | 112 | 83.5 Ų | 83.5 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.7 | -177.3 | -176.8 | 167.4 | -176.2 | 163.8 | 0 | 110.4 | D175 E215 I217 I218 | D175-K213 IonicContact OD2-NZ 3.83Å; D175-K213 PolarHBondContact OD2-NZ 3.44Å; K213-E215 WeakPolarHBondContact CE-O 3.37Å; K213-E215 WeakPolarHBondContact CG-O 3.37Å; K213-I217 WeakPolarHBondContact CA-O 3.45Å; K213-I218 HydrophobicContact CB-CD1 3.92Å; K213-I218 HydrophobicContact CD-CD1 3.76Å; K213-I218 HydrophobicContact CG-CD1 3.81Å |
| 214 | F | 94.7 | Very high | 91.9 | Very high | 24 Ų | 24 | 82.3 Ų | 82.3 | 11% | 0.105 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 111.1 | 170.7 | 176.4 | -95.4 | 0 | 0 | 0 | 108.5 | Q216 I217 Y219 L344 H404 V406 | F214-Q216 PolarHBondContact O-N 3.16Å; F214-Q216 VanDerWaalsContact O-N 3.1Å; F214-I217 HydrophobicContact CD1-CD1 4.37Å; F214-I217 PolarHBondContact N-O 3.28Å; F214-I217 WeakPolarHBondContact O-CB 3.48Å; F214-I217 PolarHBondContact O-N 3.04Å; F214-Y219 HydrophobicContact CB-CD1 4.28Å; F214-Y219 HydrophobicContact CB-CE1 3.89Å; F214-L344 HydrophobicContact CB-CB 4.22Å; F214-L344 HydrophobicContact CB-CD1 3.51Å; F214-L344 HydrophobicContact CD1-CB 3.44Å; F214-L344 VanDerWaalsContact CD1-CB 3.44Å; F214-L344 HydrophobicContact CD1-CD1 4.36Å; F214-L344 HydrophobicContact CE1-CB 3.89Å; F214-L344 HydrophobicContact CG-CB 3.81Å; F214-L344 HydrophobicContact CG-CD1 3.95Å; F214-H404 VanDerWaalsContact CE2-O 3.32Å; F214-H404 WeakPolarHBondContact CE2-O 3.11Å; F214-V406 HydrophobicContact CD2-CB 4.5Å; F214-V406 HydrophobicContact CD2-CG2 3.81Å; F214-V406 HydrophobicContact CE2-CG2 4.29Å |
| 215 | E | 91.9 | Very high | 92.2 | Very high | 102 Ų | 102 | 79.8 Ų | 79.8 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -113.3 | -168.8 | -56.9 | -173.7 | 167.3 | 0 | 0 | 111.8 | K213 S348 K352 | K213-E215 WeakPolarHBondContact CE-O 3.37Å; K213-E215 WeakPolarHBondContact CG-O 3.37Å; E215-S348 WeakPolarHBondContact OE2-CB 3.39Å; E215-S348 PolarHBondContact OE2-OG 2.77Å; E215-K352 IonicContact OE1-NZ 2.64Å; E215-K352 PolarHBondContact OE1-NZ 2.69Å; E215-K352 IonicContact OE2-NZ 3.93Å; E215-K352 PolarHBondContact OE2-NZ 3.08Å |
| 216 | Q | 90.2 | Very high | 92.4 | Very high | 138 Ų | 138 | 80.1 Ų | 80.1 | 65% | 0.645 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 1.7 | 176.3 | -63.5 | -176.4 | -3.9 | 0 | 0 | 113.1 | Q179 F214 | Q179-Q216 PolarHBondContact NE2-O 3.26Å; F214-Q216 PolarHBondContact O-N 3.16Å; F214-Q216 VanDerWaalsContact O-N 3.1Å |
| 217 | I | 96.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121 | -176 | -58.1 | 163.8 | 0 | 0 | 0 | 108.9 | K213 F214 I347 L351 I371 | K213-I217 WeakPolarHBondContact CA-O 3.45Å; F214-I217 HydrophobicContact CD1-CD1 4.37Å; F214-I217 PolarHBondContact N-O 3.28Å; F214-I217 WeakPolarHBondContact O-CB 3.48Å; F214-I217 PolarHBondContact O-N 3.04Å; I217-I347 HydrophobicContact CD1-CB 3.86Å; I217-I347 HydrophobicContact CD1-CG2 3.6Å; I217-I347 HydrophobicContact CG1-CG2 4.32Å; I217-L351 HydrophobicContact CD1-CD1 4.03Å; I217-L351 HydrophobicContact CG1-CD1 3.73Å; I217-I371 HydrophobicContact CG2-CG2 3.83Å |
| 218 | I | 97.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.3 | 167.7 | -52.9 | -59.7 | 0 | 0 | 0 | 107.9 | P173 D175 L207 Y211 E212 K213 T372 | P173-I218 HydrophobicContact CB-CB 4.46Å; P173-I218 HydrophobicContact CB-CG1 4.3Å; P173-I218 HydrophobicContact CB-CG2 4.12Å; P173-I218 HydrophobicContact CG-CB 4.44Å; P173-I218 HydrophobicContact CG-CG2 3.77Å; D175-I218 HydrophobicContact CB-CG1 4.12Å; L207-I218 HydrophobicContact CD1-CG2 3.9Å; L207-I218 HydrophobicContact CD2-CD1 4.12Å; L207-I218 HydrophobicContact CD2-CG2 4.3Å; Y211-I218 HydrophobicContact CD1-CG2 4.04Å; Y211-I218 HydrophobicContact CG-CG2 3.94Å; E212-I218 WeakPolarHBondContact O-CA 2.9Å; K213-I218 HydrophobicContact CB-CD1 3.92Å; K213-I218 HydrophobicContact CD-CD1 3.76Å; K213-I218 HydrophobicContact CG-CD1 3.81Å; I218-T372 WeakPolarHBondContact O-CG2 3.25Å |
| 219 | Y | 97.1 | Very high | 92.2 | Very high | 13 Ų | 13 | 79.1 Ų | 79.1 | 5% | 0.051 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 158.7 | -177.7 | 68.2 | -82.5 | 0 | 0 | 0 | 112 | Y211 E212 F214 K221 L344 I371 | Y211-Y219 VanDerWaalsContact CA-O 3.32Å; Y211-Y219 WeakPolarHBondContact CA-O 2.85Å; E212-Y219 HydrophobicContact CB-CD1 4.3Å; E212-Y219 HydrophobicContact CB-CE1 3.61Å; E212-Y219 HydrophobicContact CB-CE2 3.84Å; E212-Y219 VanDerWaalsContact CB-OH 3.31Å; E212-Y219 WeakPolarHBondContact CB-OH 3.34Å; E212-Y219 PolarHBondContact N-O 2.63Å; E212-Y219 WeakPolarHBondContact O-CD1 3.39Å; E212-Y219 PolarHBondContact O-N 3.2Å; E212-Y219 PolarHBondContact OE2-OH 2.95Å; F214-Y219 HydrophobicContact CB-CD1 4.28Å; F214-Y219 HydrophobicContact CB-CE1 3.89Å; Y219-K221 PolarHBondContact O-N 3.1Å; Y219-L344 HydrophobicContact CD1-CD1 3.38Å; Y219-L344 HydrophobicContact CD2-CD1 4.06Å; Y219-L344 HydrophobicContact CE1-CD1 3.38Å; Y219-L344 HydrophobicContact CE2-CD1 4.11Å; Y219-L344 HydrophobicContact CG-CD1 3.73Å; Y219-L344 HydrophobicContact CG-CD2 4.47Å; Y219-I371 CarbonylContact C-O 3.59Å; Y219-I371 VanDerWaalsContact CA-O 3.27Å; Y219-I371 WeakPolarHBondContact CA-O 3.26Å; Y219-I371 WeakPolarHBondContact CB-O 3.5Å |
| 220 | R | 96.5 | Very high | 91.8 | Very high | 108 Ų | 108 | 71.2 Ų | 71.2 | 41% | 0.408 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 122.3 | 175.7 | -173.8 | 175.1 | 177.2 | 176.3 | 1.3 | 110.2 | Q222 I371 T372 E373 | R220-Q222 PolarHBondContact O-N 2.72Å; R220-Q222 PolarHBondContact O-NE2 2.76Å; R220-I371 PolarHBondContact N-O 3.1Å; R220-T372 WeakPolarHBondContact CB-O 3.39Å; R220-E373 WeakPolarHBondContact CD-O 3.16Å; R220-E373 PolarHBondContact NH1-O 3.3Å |
| 221 | K | 94.5 | Very high | 91.2 | Very high | 91 Ų | 91 | 76.4 Ų | 76.4 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 128.1 | 175.5 | -179.6 | 166.6 | -175.6 | 157.6 | 0 | 110.5 | S210 E212 Y219 | S210-K221 VanDerWaalsContact O-CB 3.22Å; S210-K221 WeakPolarHBondContact O-CB 2.95Å; S210-K221 PolarHBondContact O-N 2.86Å; E212-K221 HydrophobicContact CG-CB 4.03Å; E212-K221 HydrophobicContact CG-CD 4Å; E212-K221 HydrophobicContact CG-CG 3.94Å; E212-K221 WeakPolarHBondContact OE1-CD 3.27Å; E212-K221 WeakPolarHBondContact OE1-CE 3.26Å; E212-K221 WeakPolarHBondContact OE1-CG 3.35Å; E212-K221 IonicContact OE1-NZ 2.67Å; E212-K221 PolarHBondContact OE1-NZ 2.54Å; Y219-K221 PolarHBondContact O-N 3.1Å |
| 222 | Q | 92.6 | Very high | 90.8 | Very high | 22 Ų | 22 | 75.4 Ų | 75.4 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 124.6 | 178.7 | -61.3 | -58.1 | -64.8 | 0 | 0 | 110.6 | R220 P375 Y408 F411 | R220-Q222 PolarHBondContact O-N 2.72Å; R220-Q222 PolarHBondContact O-NE2 2.76Å; Q222-P375 PolarHBondContact OE1-O 2.71Å; Q222-Y408 HydrophobicContact CG-CE1 4.23Å; Q222-Y408 PolarHBondContact NE2-OH 2.81Å; Q222-F411 HydrophobicContact CB-CD2 3.63Å; Q222-F411 HydrophobicContact CB-CE2 3.78Å; Q222-F411 HydrophobicContact CB-CG 4.2Å; Q222-F411 HydrophobicContact CB-CZ 4.48Å; Q222-F411 HydrophobicContact CG-CD2 4.32Å; Q222-F411 HydrophobicContact CG-CG 4.42Å |
| 223 | V | 89.8 | Confident | 90.4 | Very high | 110 Ų | 110 | 80.3 Ų | 80.3 | 67% | 0.667 | 39% | 0.392 | S | S | * | . | trans | -106.6 | 120.5 | -178 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | F411 | V223-F411 WeakPolarHBondContact O-CZ 3.49Š| ||
| 224 | D | 89.9 | Confident | 90.2 | Very high | 84 Ų | 84 | 76.5 Ų | 76.5 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 144.1 | 179.8 | -69.5 | -26.2 | 0 | 0 | 0 | 112.7 | K226 F411 R414 N415 | D224-K226 PolarHBondContact O-N 2.8Å; D224-F411 WeakPolarHBondContact OD1-CE2 3.46Å; D224-R414 IonicContact OD1-CZ 2.7Å; D224-R414 IonicContact OD1-NE 2.96Å; D224-R414 PolarHBondContact OD1-NE 3.05Å; D224-R414 IonicContact OD1-NH2 2.9Å; D224-R414 PolarHBondContact OD1-NH2 3.29Å; D224-R414 IonicContact OD2-NE 3.02Å; D224-R414 IonicContact OD2-NH2 3.9Å; D224-N415 WeakPolarHBondContact CA-OD1 3.36Å; D224-N415 VanDerWaalsContact CB-OD1 3.31Å; D224-N415 WeakPolarHBondContact CB-OD1 3.45Å; D224-N415 PolarHBondContact OD1-ND2 3.18Å |
| 225 | F | 86.7 | Confident | 90.2 | Very high | 50 Ų | 50 | 78.5 Ų | 78.5 | 22% | 0.219 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 130.1 | 177.4 | -61.3 | -25.8 | 0 | 0 | 0 | 109.2 | L333 F411 N415 N418 I419 | F225-L333 HydrophobicContact CE2-CD2 4.18Å; F225-L333 HydrophobicContact CZ-CD1 4.33Å; F225-L333 HydrophobicContact CZ-CD2 4.34Å; F225-F411 HydrophobicContact CD1-CZ 4.48Å; F225-F411 HydrophobicContact CE1-CE1 4.04Å; F225-F411 HydrophobicContact CE1-CZ 4.11Å; F225-F411 HydrophobicContact CZ-CE1 4.07Å; F225-F411 HydrophobicContact CZ-CZ 4.49Å; F225-N415 HydrophobicContact CB-CB 4.4Å; F225-N415 HydrophobicContact CD2-CB 3.51Å; F225-N415 HydrophobicContact CE2-CB 3.92Å; F225-N415 HydrophobicContact CG-CB 4.07Å; F225-N415 PolarHBondContact N-OD1 3.01Å; F225-N418 HydrophobicContact CB-CB 3.97Å; F225-N418 PolarHBondContact O-ND2 3.47Å; F225-I419 HydrophobicContact CD2-CG1 4.01Å; F225-I419 HydrophobicContact CE2-CD1 4.14Å; F225-I419 HydrophobicContact CE2-CG1 3.98Å |
| 226 | K | 87.7 | Confident | 90.4 | Very high | 147 Ų | 147 | 74 Ų | 74 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -68 | 148.9 | 170.4 | -62.1 | -171.2 | -177.6 | -177.1 | 0 | 108.4 | D224 N331 | D224-K226 PolarHBondContact O-N 2.8Å; K226-N331 PolarHBondContact O-ND2 3.19Å |
| 227 | K | 86.1 | Confident | 90.7 | Very high | 164 Ų | 164 | 72.6 Ų | 72.6 | 71% | 0.713 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 145.8 | 169.8 | -70.8 | -173.4 | 177.1 | -173.8 | 0 | 110.1 | ||
| 228 | P | 86.1 | Confident | 90.7 | Very high | 43 Ų | 43 | 75 Ų | 75 | 28% | 0.279 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 149.9 | 178.2 | 29.6 | -38.4 | 0 | 0 | 0 | 111.2 | K329 Q420 | P228-K329 CarbonylContact C-O 3.55Å; P228-K329 WeakPolarHBondContact CA-O 3.47Å; P228-Q420 VanDerWaalsContact CB-CD 3.48Å; P228-Q420 HydrophobicContact CB-CG 4.14Å; P228-Q420 HydrophobicContact CG-CG 4.27Å |
| 229 | T | 87.1 | Confident | 90.6 | Very high | 79 Ų | 79 | 74.8 Ų | 74.8 | 49% | 0.485 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -120.5 | 104.6 | 169 | 55 | 0 | 0 | 0 | 0 | 109.5 | K329 | T229-K329 PolarHBondContact N-O 3.27Å; T229-K329 PolarHBondContact O-N 3.46Å; T229-K329 VanDerWaalsContact OG1-CB 3.23Å; T229-K329 WeakPolarHBondContact OG1-CB 3.28Å |
| 230 | T | 84.7 | Confident | 90.6 | Very high | 27 Ų | 27 | 74.1 Ų | 74.1 | 17% | 0.166 | 39% | 0.385 | C | S | . | . | trans | -135 | 71.9 | -179.4 | 53.1 | 0 | 0 | 0 | 0 | 109 | Y232 L291 I295 F328 I330 | T230-Y232 VanDerWaalsContact C-N 3.29Å; T230-Y232 PolarHBondContact O-N 3.12Å; T230-L291 HydrophobicContact CG2-CD1 4.36Å; T230-I295 HydrophobicContact CG2-CD1 4.41Å; T230-I295 HydrophobicContact CG2-CG1 4.18Å; T230-F328 HydrophobicContact CG2-CB 4.29Å; T230-F328 HydrophobicContact CG2-CD2 4.06Å; T230-F328 HydrophobicContact CG2-CG 4.07Å; T230-I330 HydrophobicContact CG2-CG2 3.56Å | ||
| 231 | N | 79.3 | Confident | 90.5 | Very high | 163 Ų | 163 | 71.1 Ų | 71.1 | 87% | 0.872 | 38% | 0.381 | S | S | * | . | trans | -80.5 | 81.9 | 175.1 | -72.1 | -4.8 | 0 | 0 | 0 | 108.7 | ||||
| 232 | Y | 87.8 | Confident | 90.5 | Very high | 34 Ų | 34 | 70.9 Ų | 70.9 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | trans | -135.2 | 123 | -178 | -176.4 | -100.7 | 0 | 0 | 0 | 111.3 | T230 G234 S235 S238 L239 M292 I295 F328 | T230-Y232 VanDerWaalsContact C-N 3.29Å; T230-Y232 PolarHBondContact O-N 3.12Å; Y232-G234 VanDerWaalsContact CE1-C 3.43Å; Y232-G234 VanDerWaalsContact CE1-O 3.28Å; Y232-G234 WeakPolarHBondContact CE1-O 3.44Å; Y232-G234 VanDerWaalsContact CZ-CA 3.44Å; Y232-G234 WeakPolarHBondContact OH-CA 3.14Å; Y232-S235 PolarHBondContact OH-O 3.43Å; Y232-S238 PolarHBondContact OH-OG 3.4Å; Y232-L239 HydrophobicContact CD1-CD1 4.1Å; Y232-L239 HydrophobicContact CD2-CD1 4.03Å; Y232-L239 HydrophobicContact CE1-CB 3.88Å; Y232-L239 HydrophobicContact CE1-CD1 3.86Å; Y232-L239 HydrophobicContact CE1-CD2 4.47Å; Y232-L239 HydrophobicContact CE1-CG 4.29Å; Y232-L239 HydrophobicContact CE2-CD1 3.8Å; Y232-L239 HydrophobicContact CG-CD1 4.18Å; Y232-L239 WeakPolarHBondContact OH-CA 3.31Å; Y232-L239 WeakPolarHBondContact OH-CB 3.25Å; Y232-L239 PolarHBondContact OH-N 3.09Å; Y232-M292 HydrophobicContact CD1-SD 4.14Å; Y232-M292 HydrophobicContact CE1-CE 4.17Å; Y232-M292 HydrophobicContact CE1-SD 3.93Å; Y232-I295 HydrophobicContact CD1-CD1 4.37Å; Y232-F328 HydrophobicContact CD2-CZ 4.05Å; Y232-F328 AromaticContact CG-CZ 3.85Å; Y232-F328 HydrophobicContact CG-CZ 3.85Å | ||
| 233 | N | 86.5 | Confident | 90.5 | Very high | 170 Ų | 170 | 69.8 Ų | 69.8 | 91% | 0.909 | 38% | 0.375 | S | S | * | . | trans | -119.1 | 13.6 | -177.2 | -62.8 | -4.7 | 0 | 0 | 0 | 112.3 | ||||
| 234 | G | 91.6 | Very high | 90.8 | Very high | 32 Ų | 32 | 64.9 Ų | 64.9 | 33% | 0.33 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -87.1 | -175.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y232 M292 | Y232-G234 VanDerWaalsContact CE1-C 3.43Å; Y232-G234 VanDerWaalsContact CE1-O 3.28Å; Y232-G234 WeakPolarHBondContact CE1-O 3.44Å; Y232-G234 VanDerWaalsContact CZ-CA 3.44Å; Y232-G234 WeakPolarHBondContact OH-CA 3.14Å; G234-M292 WeakPolarHBondContact O-CE 3.33Å |
| 235 | S | 95.5 | Very high | 90.9 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | trans | -87.8 | 168.4 | 172.7 | 67.6 | 0 | 0 | 0 | 0 | 111.8 | Y232 K237 S238 L239 | Y232-S235 PolarHBondContact OH-O 3.43Å; S235-K237 PolarHBondContact O-N 3.32Å; S235-S238 PolarHBondContact N-OG 2.89Å; S235-S238 PolarHBondContact O-N 3.03Å; S235-S238 PolarHBondContact O-OG 3.04Å; S235-S238 PolarHBondContact OG-N 3.47Å; S235-S238 PolarHBondContact OG-OG 3.39Å; S235-L239 PolarHBondContact O-N 2.76Å | ||
| 236 | L | 96 | Very high | 91.2 | Very high | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.3 | -38.4 | 171.5 | -177.8 | 66.1 | 0 | 0 | 0 | 111.7 | S238 L239 Y240 A259 E260 L263 L288 M292 | L236-S238 PolarHBondContact O-N 3.07Å; L236-L239 HydrophobicContact CD1-CD2 4.49Å; L236-L239 WeakPolarHBondContact O-CB 3.45Å; L236-L239 PolarHBondContact O-N 3.06Å; L236-L239 VanDerWaalsContact O-N 3.17Å; L236-Y240 VanDerWaalsContact O-CB 3.31Å; L236-Y240 WeakPolarHBondContact O-CB 3.04Å; L236-Y240 PolarHBondContact O-N 3.1Å; L236-A259 VanDerWaalsContact CD2-C 3.43Å; L236-A259 HydrophobicContact CD2-CB 3.91Å; L236-A259 WeakPolarHBondContact CD2-O 3Å; L236-E260 HydrophobicContact CD2-CB 4.33Å; L236-E260 HydrophobicContact CD2-CG 3.83Å; L236-L263 HydrophobicContact CB-CD2 3.87Å; L236-L263 HydrophobicContact CD2-CB 3.98Å; L236-L263 HydrophobicContact CD2-CD2 3.77Å; L236-L263 HydrophobicContact CG-CD2 4.27Å; L236-L288 HydrophobicContact CD1-CB 4.13Å; L236-M292 HydrophobicContact CB-CG 4.2Å; L236-M292 HydrophobicContact CD1-CB 3.75Å; L236-M292 HydrophobicContact CD1-CG 4.12Å |
| 237 | K | 96.7 | Very high | 91.4 | Very high | 109 Ų | 109 | 65 Ų | 65 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 178.1 | 177.9 | 171.6 | -177.6 | 179.9 | 0 | 113 | S235 L239 S241 L256 | S235-K237 PolarHBondContact O-N 3.32Å; K237-L239 VanDerWaalsContact C-N 3.3Å; K237-S241 WeakPolarHBondContact O-CB 3.5Å; K237-S241 PolarHBondContact O-N 3.29Å; K237-S241 PolarHBondContact O-OG 2.77Å; K237-L256 HydrophobicContact CB-CD1 4.23Å; K237-L256 HydrophobicContact CB-CD2 4.24Å; K237-L256 HydrophobicContact CD-CD2 4.08Å; K237-L256 HydrophobicContact CG-CD2 3.76Å |
| 238 | S | 95.5 | Very high | 91.7 | Very high | 51 Ų | 51 | 60.5 Ų | 60.5 | 36% | 0.357 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70 | -31.3 | 175.6 | 52.3 | 0 | 0 | 0 | 0 | 111.7 | Y232 S235 L236 K242 | Y232-S238 PolarHBondContact OH-OG 3.4Å; S235-S238 PolarHBondContact N-OG 2.89Å; S235-S238 PolarHBondContact O-N 3.03Å; S235-S238 PolarHBondContact O-OG 3.04Å; S235-S238 PolarHBondContact OG-N 3.47Å; S235-S238 PolarHBondContact OG-OG 3.39Å; L236-S238 PolarHBondContact O-N 3.07Å; S238-K242 WeakPolarHBondContact O-CB 3.48Å; S238-K242 PolarHBondContact O-N 3.24Å |
| 239 | L | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.2 | -47.2 | 176.4 | -169.9 | 69 | 0 | 0 | 0 | 110.5 | Y232 S235 L236 K237 K242 A243 L288 L291 M292 L326 F328 | Y232-L239 HydrophobicContact CD1-CD1 4.1Å; Y232-L239 HydrophobicContact CD2-CD1 4.03Å; Y232-L239 HydrophobicContact CE1-CB 3.88Å; Y232-L239 HydrophobicContact CE1-CD1 3.86Å; Y232-L239 HydrophobicContact CE1-CD2 4.47Å; Y232-L239 HydrophobicContact CE1-CG 4.29Å; Y232-L239 HydrophobicContact CE2-CD1 3.8Å; Y232-L239 HydrophobicContact CG-CD1 4.18Å; Y232-L239 WeakPolarHBondContact OH-CA 3.31Å; Y232-L239 WeakPolarHBondContact OH-CB 3.25Å; Y232-L239 PolarHBondContact OH-N 3.09Å; S235-L239 PolarHBondContact O-N 2.76Å; L236-L239 HydrophobicContact CD1-CD2 4.49Å; L236-L239 WeakPolarHBondContact O-CB 3.45Å; L236-L239 PolarHBondContact O-N 3.06Å; L236-L239 VanDerWaalsContact O-N 3.17Å; K237-L239 VanDerWaalsContact C-N 3.3Å; L239-K242 PolarHBondContact O-N 2.99Å; L239-A243 WeakPolarHBondContact O-CB 3.2Å; L239-A243 PolarHBondContact O-N 3.29Å; L239-L288 HydrophobicContact CD2-CD2 4.16Å; L239-L288 HydrophobicContact CG-CD2 4.2Å; L239-L291 HydrophobicContact CD2-CD2 4.34Å; L239-M292 HydrophobicContact CD2-CB 4.44Å; L239-M292 HydrophobicContact CD2-SD 4.09Å; L239-L326 HydrophobicContact CD1-CD1 3.89Å; L239-L326 HydrophobicContact CD1-CD2 3.74Å; L239-L326 HydrophobicContact CD1-CG 4.38Å; L239-L326 HydrophobicContact CG-CD1 4.3Å; L239-L326 HydrophobicContact CG-CD2 4.45Å; L239-F328 HydrophobicContact CD1-CE2 3.92Å; L239-F328 HydrophobicContact CD1-CZ 3.93Å |
| 240 | Y | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.9 | -50 | 174.8 | 175 | -96.8 | 0 | 0 | 0 | 111.2 | L236 K242 A243 V244 Y251 R252 Q255 L256 L288 | L236-Y240 VanDerWaalsContact O-CB 3.31Å; L236-Y240 WeakPolarHBondContact O-CB 3.04Å; L236-Y240 PolarHBondContact O-N 3.1Å; Y240-K242 VanDerWaalsContact C-N 3.31Å; Y240-K242 PolarHBondContact O-N 3.13Å; Y240-A243 PolarHBondContact O-N 2.85Å; Y240-V244 HydrophobicContact CD1-CG2 4.2Å; Y240-V244 HydrophobicContact CD2-CG2 4.14Å; Y240-V244 HydrophobicContact CE1-CG2 3.79Å; Y240-V244 HydrophobicContact CE2-CG2 3.69Å; Y240-V244 HydrophobicContact CG-CG2 4.36Å; Y240-V244 VanDerWaalsContact CZ-CG2 3.49Å; Y240-V244 WeakPolarHBondContact O-CB 3.15Å; Y240-V244 VanDerWaalsContact O-CG2 3.28Å; Y240-V244 WeakPolarHBondContact O-CG2 3.47Å; Y240-V244 PolarHBondContact O-N 2.9Å; Y240-Y251 AromaticContact CD1-CD2 3.97Å; Y240-Y251 HydrophobicContact CD1-CD2 3.97Å; Y240-Y251 AromaticContact CD1-CE2 3.7Å; Y240-Y251 HydrophobicContact CD1-CE2 3.7Å; Y240-Y251 AromaticContact CE1-CD2 3.5Å; Y240-Y251 HydrophobicContact CE1-CD2 3.5Å; Y240-Y251 VanDerWaalsContact CE1-CD2 3.5Å; Y240-Y251 AromaticContact CE1-CE2 3.52Å; Y240-Y251 HydrophobicContact CE1-CE2 3.52Å; Y240-Y251 HydrophobicContact CE1-CG 4.17Å; Y240-R252 PolarHBondContact OH-N 2.78Å; Y240-R252 PolarHBondContact OH-O 3.23Å; Y240-Q255 HydrophobicContact CE2-CB 4.25Å; Y240-Q255 HydrophobicContact CE2-CG 3.95Å; Y240-Q255 PolarHBondContact OH-OE1 2.98Å; Y240-L256 HydrophobicContact CD1-CB 3.88Å; Y240-L256 HydrophobicContact CD1-CD1 3.97Å; Y240-L256 HydrophobicContact CD1-CD2 4.44Å; Y240-L256 HydrophobicContact CD1-CG 4.31Å; Y240-L256 HydrophobicContact CE1-CB 3.85Å; Y240-L256 HydrophobicContact CG-CB 4.26Å; Y240-L256 HydrophobicContact CG-CD1 3.84Å; Y240-L288 HydrophobicContact CD2-CD1 3.59Å; Y240-L288 HydrophobicContact CE2-CD1 4.44Å; Y240-L288 HydrophobicContact CG-CD1 4.4Å |
| 241 | S | 95.7 | Very high | 92.2 | Very high | 44 Ų | 44 | 67.1 Ų | 67.1 | 31% | 0.308 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | -180 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | K237 D245 | K237-S241 WeakPolarHBondContact O-CB 3.5Å; K237-S241 PolarHBondContact O-N 3.29Å; K237-S241 PolarHBondContact O-OG 2.77Å; S241-D245 VanDerWaalsContact O-CB 3.3Å; S241-D245 WeakPolarHBondContact O-CB 3.29Å; S241-D245 PolarHBondContact O-N 3.12Å |
| 242 | K | 93.9 | Very high | 92.7 | Very high | 86 Ų | 86 | 65 Ų | 65 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 174.9 | -174.5 | -177.2 | 176.5 | -169.1 | 0 | 111.8 | S238 L239 Y240 V244 D245 Q246 L326 | S238-K242 WeakPolarHBondContact O-CB 3.48Å; S238-K242 PolarHBondContact O-N 3.24Å; L239-K242 PolarHBondContact O-N 2.99Å; Y240-K242 VanDerWaalsContact C-N 3.31Å; Y240-K242 PolarHBondContact O-N 3.13Å; K242-V244 PolarHBondContact O-N 3.1Å; K242-D245 PolarHBondContact O-N 3.44Å; K242-Q246 HydrophobicContact CG-CG 4.25Å; K242-Q246 WeakPolarHBondContact O-CB 3.31Å; K242-Q246 VanDerWaalsContact O-CG 3.23Å; K242-Q246 WeakPolarHBondContact O-CG 3.36Å; K242-Q246 PolarHBondContact O-N 3.19Å; K242-L326 HydrophobicContact CB-CD2 4.23Å; K242-L326 HydrophobicContact CD-CD2 3.86Å; K242-L326 HydrophobicContact CG-CD2 4Å; K242-L326 PolarHBondContact NZ-O 2.88Å |
| 243 | A | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | L239 Y240 L247 L288 L326 | L239-A243 WeakPolarHBondContact O-CB 3.2Å; L239-A243 PolarHBondContact O-N 3.29Å; Y240-A243 PolarHBondContact O-N 2.85Å; A243-L247 WeakPolarHBondContact O-CB 3.46Å; A243-L247 WeakPolarHBondContact O-CD1 3.47Å; A243-L247 WeakPolarHBondContact O-CG 3.38Å; A243-L247 PolarHBondContact O-N 3.48Å; A243-L288 HydrophobicContact CB-CD1 4.43Å; A243-L288 HydrophobicContact CB-CD2 4.06Å; A243-L326 HydrophobicContact CB-CD2 4.13Å |
| 244 | V | 94.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.036 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 178.5 | 166.7 | 0 | 0 | 0 | 0 | 111.4 | Y240 K242 G248 L249 | Y240-V244 HydrophobicContact CD1-CG2 4.2Å; Y240-V244 HydrophobicContact CD2-CG2 4.14Å; Y240-V244 HydrophobicContact CE1-CG2 3.79Å; Y240-V244 HydrophobicContact CE2-CG2 3.69Å; Y240-V244 HydrophobicContact CG-CG2 4.36Å; Y240-V244 VanDerWaalsContact CZ-CG2 3.49Å; Y240-V244 WeakPolarHBondContact O-CB 3.15Å; Y240-V244 VanDerWaalsContact O-CG2 3.28Å; Y240-V244 WeakPolarHBondContact O-CG2 3.47Å; Y240-V244 PolarHBondContact O-N 2.9Å; K242-V244 PolarHBondContact O-N 3.1Å; V244-G248 PolarHBondContact O-N 2.85Å; V244-L249 HydrophobicContact CG1-CB 4.08Å; V244-L249 WeakPolarHBondContact CG1-O 3.35Å; V244-L249 PolarHBondContact O-N 3.08Å |
| 245 | D | 93.8 | Very high | 93.2 | Very high | 113 Ų | 113 | 62.2 Ų | 62.2 | 60% | 0.604 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.5 | -51.9 | 178.9 | 177.7 | 69.2 | 0 | 0 | 0 | 111.9 | S241 K242 L247 G248 | S241-D245 VanDerWaalsContact O-CB 3.3Å; S241-D245 WeakPolarHBondContact O-CB 3.29Å; S241-D245 PolarHBondContact O-N 3.12Å; K242-D245 PolarHBondContact O-N 3.44Å; D245-L247 VanDerWaalsContact C-N 3.33Å; D245-L247 PolarHBondContact O-N 3.36Å; D245-G248 PolarHBondContact O-N 3.31Å; D245-G248 VanDerWaalsContact O-N 3.08Å |
| 246 | Q | 93 | Very high | 93.3 | Very high | 116 Ų | 116 | 59.5 Ų | 59.5 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.1 | -27.5 | -176.6 | -65.5 | -61.5 | -60 | 0 | 0 | 113.5 | K242 G248 A325 | K242-Q246 HydrophobicContact CG-CG 4.25Å; K242-Q246 WeakPolarHBondContact O-CB 3.31Å; K242-Q246 VanDerWaalsContact O-CG 3.23Å; K242-Q246 WeakPolarHBondContact O-CG 3.36Å; K242-Q246 PolarHBondContact O-N 3.19Å; Q246-G248 VanDerWaalsContact C-N 3.3Å; Q246-A325 HydrophobicContact CB-CB 3.71Å |
| 247 | L | 91.8 | Very high | 93.3 | Very high | 54 Ų | 54 | 64 Ų | 64 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0 | 174 | -65.9 | 171.9 | 0 | 0 | 0 | 113 | A243 D245 L249 A321 M322 A325 | A243-L247 WeakPolarHBondContact O-CB 3.46Å; A243-L247 WeakPolarHBondContact O-CD1 3.47Å; A243-L247 WeakPolarHBondContact O-CG 3.38Å; A243-L247 PolarHBondContact O-N 3.48Å; D245-L247 VanDerWaalsContact C-N 3.33Å; D245-L247 PolarHBondContact O-N 3.36Å; L247-L249 HydrophobicContact CB-CD1 3.9Å; L247-L249 HydrophobicContact CB-CG 3.8Å; L247-L249 HydrophobicContact CD1-CD1 4.06Å; L247-L249 PolarHBondContact O-N 3.37Å; L247-A321 HydrophobicContact CD2-CB 3.65Å; L247-M322 HydrophobicContact CD1-CG 4.37Å; L247-A325 HydrophobicContact CD2-CB 3.88Å; L247-A325 HydrophobicContact CG-CB 3.93Å |
| 248 | G | 90.6 | Very high | 93.3 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 72% | 0.722 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 26.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V244 D245 Q246 | V244-G248 PolarHBondContact O-N 2.85Å; D245-G248 PolarHBondContact O-N 3.31Å; D245-G248 VanDerWaalsContact O-N 3.08Å; Q246-G248 VanDerWaalsContact C-N 3.3Å |
| 249 | L | 90 | Very high | 93.4 | Very high | 86 Ų | 86 | 56.4 Ų | 56.4 | 45% | 0.45 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 159.5 | 179.4 | -60.6 | 176.4 | 0 | 0 | 0 | 110.8 | V244 L247 L284 | V244-L249 HydrophobicContact CG1-CB 4.08Å; V244-L249 WeakPolarHBondContact CG1-O 3.35Å; V244-L249 PolarHBondContact O-N 3.08Å; L247-L249 HydrophobicContact CB-CD1 3.9Å; L247-L249 HydrophobicContact CB-CG 3.8Å; L247-L249 HydrophobicContact CD1-CD1 4.06Å; L247-L249 PolarHBondContact O-N 3.37Å; L249-L284 HydrophobicContact CD1-CD2 3.68Å |
| 250 | T | 88.3 | Confident | 93.5 | Very high | 105 Ų | 105 | 60.1 Ų | 60.1 | 64% | 0.644 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 130.9 | 173 | -46.3 | 0 | 0 | 0 | 0 | 110.4 | R252 | T250-R252 PolarHBondContact O-N 3.26Š|
| 251 | Y | 91.5 | Very high | 93.6 | Very high | 98 Ų | 98 | 60.6 Ų | 60.6 | 38% | 0.384 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 126.3 | 172.2 | -177.8 | -82.5 | 0 | 0 | 0 | 110.9 | Y240 P253 L256 | Y240-Y251 AromaticContact CD1-CD2 3.97Å; Y240-Y251 HydrophobicContact CD1-CD2 3.97Å; Y240-Y251 AromaticContact CD1-CE2 3.7Å; Y240-Y251 HydrophobicContact CD1-CE2 3.7Å; Y240-Y251 AromaticContact CE1-CD2 3.5Å; Y240-Y251 HydrophobicContact CE1-CD2 3.5Å; Y240-Y251 VanDerWaalsContact CE1-CD2 3.5Å; Y240-Y251 AromaticContact CE1-CE2 3.52Å; Y240-Y251 HydrophobicContact CE1-CE2 3.52Å; Y240-Y251 HydrophobicContact CE1-CG 4.17Å; Y251-P253 HydrophobicContact CD1-CG 4.3Å; Y251-P253 HydrophobicContact CE1-CB 4.38Å; Y251-P253 HydrophobicContact CE1-CG 3.9Å; Y251-L256 HydrophobicContact CE2-CD2 4.49Å; Y251-L256 WeakPolarHBondContact OH-CD2 3.42Å |
| 252 | R | 89.5 | Confident | 93.7 | Very high | 119 Ų | 119 | 58.5 Ų | 58.5 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | trans | -124.7 | 108.6 | 179.8 | -69.9 | 174 | -174.3 | -171.6 | 1.8 | 109.5 | Y240 T250 Q254 Q255 L256 G279 | Y240-R252 PolarHBondContact OH-N 2.78Å; Y240-R252 PolarHBondContact OH-O 3.23Å; T250-R252 PolarHBondContact O-N 3.26Å; R252-Q254 PolarHBondContact O-N 3.32Å; R252-Q254 VanDerWaalsContact O-N 3.12Å; R252-Q255 HydrophobicContact CB-CB 3.79Å; R252-Q255 WeakPolarHBondContact O-CB 3.08Å; R252-Q255 PolarHBondContact O-N 3.33Å; R252-L256 PolarHBondContact O-N 3.34Å; R252-L256 VanDerWaalsContact O-N 3.11Å; R252-G279 PolarHBondContact NH1-O 3.37Å | ||
| 253 | P | 91.7 | Very high | 93.9 | Very high | 91 Ų | 91 | 55.2 Ų | 55.2 | 59% | 0.591 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -53.8 | -36.6 | 180 | -23.8 | 29.4 | 0 | 0 | 0 | 113.6 | Y251 L256 Y257 | Y251-P253 HydrophobicContact CD1-CG 4.3Å; Y251-P253 HydrophobicContact CE1-CB 4.38Å; Y251-P253 HydrophobicContact CE1-CG 3.9Å; P253-L256 PolarHBondContact O-N 3.35Å; P253-Y257 WeakPolarHBondContact O-CB 3.43Å; P253-Y257 PolarHBondContact O-N 3.04Å |
| 254 | Q | 91.5 | Very high | 94.1 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 35% | 0.346 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.1 | -32 | 179.4 | -65.7 | -177.8 | -10.7 | 0 | 0 | 113.5 | R252 L258 V678 N679 | R252-Q254 PolarHBondContact O-N 3.32Å; R252-Q254 VanDerWaalsContact O-N 3.12Å; Q254-L258 WeakPolarHBondContact O-CB 3.24Å; Q254-L258 PolarHBondContact O-N 3.24Å; Q254-V678 HydrophobicContact CB-CG1 3.86Å; Q254-V678 WeakPolarHBondContact O-CG1 3.24Å; Q254-N679 PolarHBondContact NE2-O 3.34Å; Q254-N679 PolarHBondContact OE1-O 2.87Å; Q254-N679 VanDerWaalsContact OE1-O 3.04Å |
| 255 | Q | 94 | Very high | 94.3 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.3 | -38.6 | 175.2 | -172.5 | -175 | 38.1 | 0 | 0 | 110.7 | Y240 R252 L258 A259 S280 G281 A285 | Y240-Q255 HydrophobicContact CE2-CB 4.25Å; Y240-Q255 HydrophobicContact CE2-CG 3.95Å; Y240-Q255 PolarHBondContact OH-OE1 2.98Å; R252-Q255 HydrophobicContact CB-CB 3.79Å; R252-Q255 WeakPolarHBondContact O-CB 3.08Å; R252-Q255 PolarHBondContact O-N 3.33Å; Q255-L258 WeakPolarHBondContact O-CB 3.36Å; Q255-L258 PolarHBondContact O-N 3.1Å; Q255-A259 PolarHBondContact O-N 2.93Å; Q255-S280 WeakPolarHBondContact CB-O 3.18Å; Q255-G281 VanDerWaalsContact NE2-CA 3.32Å; Q255-G281 PolarHBondContact NE2-O 3.48Å; Q255-A285 HydrophobicContact CG-CB 4.07Å |
| 256 | L | 96.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 170.8 | 173.8 | 62.1 | 0 | 0 | 0 | 110.9 | K237 Y240 Y251 R252 P253 L258 A259 E260 | K237-L256 HydrophobicContact CB-CD1 4.23Å; K237-L256 HydrophobicContact CB-CD2 4.24Å; K237-L256 HydrophobicContact CD-CD2 4.08Å; K237-L256 HydrophobicContact CG-CD2 3.76Å; Y240-L256 HydrophobicContact CD1-CB 3.88Å; Y240-L256 HydrophobicContact CD1-CD1 3.97Å; Y240-L256 HydrophobicContact CD1-CD2 4.44Å; Y240-L256 HydrophobicContact CD1-CG 4.31Å; Y240-L256 HydrophobicContact CE1-CB 3.85Å; Y240-L256 HydrophobicContact CG-CB 4.26Å; Y240-L256 HydrophobicContact CG-CD1 3.84Å; Y251-L256 HydrophobicContact CE2-CD2 4.49Å; Y251-L256 WeakPolarHBondContact OH-CD2 3.42Å; R252-L256 PolarHBondContact O-N 3.34Å; R252-L256 VanDerWaalsContact O-N 3.11Å; P253-L256 PolarHBondContact O-N 3.35Å; L256-L258 VanDerWaalsContact C-N 3.26Å; L256-L258 PolarHBondContact O-N 3.45Å; L256-A259 WeakPolarHBondContact O-CA 3.36Å; L256-A259 WeakPolarHBondContact O-CB 2.76Å; L256-A259 PolarHBondContact O-N 2.92Å; L256-E260 HydrophobicContact CD1-CG 3.94Å; L256-E260 HydrophobicContact CG-CG 4.29Å; L256-E260 WeakPolarHBondContact O-CG 3.32Å; L256-E260 PolarHBondContact O-N 3.2Å |
| 257 | Y | 96 | Very high | 94.7 | Very high | 104 Ų | 104 | 51 Ų | 51 | 41% | 0.408 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.8 | -42.5 | 176.6 | 173.5 | -107.5 | 0 | 0 | 0 | 111.7 | P253 A259 E260 T261 V678 | P253-Y257 WeakPolarHBondContact O-CB 3.43Å; P253-Y257 PolarHBondContact O-N 3.04Å; Y257-A259 PolarHBondContact O-N 2.66Å; Y257-E260 PolarHBondContact O-N 3.5Å; Y257-T261 WeakPolarHBondContact O-CB 3.49Å; Y257-T261 PolarHBondContact O-N 2.89Å; Y257-T261 PolarHBondContact O-OG1 3.49Å; Y257-V678 HydrophobicContact CD1-CG2 3.91Å; Y257-V678 HydrophobicContact CE1-CG2 4.04Å |
| 258 | L | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 174.1 | 178.7 | 59.2 | 0 | 0 | 0 | 111.9 | Q254 Q255 L256 T261 I262 I274 A276 K282 A285 I650 V678 | Q254-L258 WeakPolarHBondContact O-CB 3.24Å; Q254-L258 PolarHBondContact O-N 3.24Å; Q255-L258 WeakPolarHBondContact O-CB 3.36Å; Q255-L258 PolarHBondContact O-N 3.1Å; L256-L258 VanDerWaalsContact C-N 3.26Å; L256-L258 PolarHBondContact O-N 3.45Å; L258-T261 PolarHBondContact O-N 3.01Å; L258-I262 HydrophobicContact CD1-CD1 3.88Å; L258-I262 HydrophobicContact CD1-CG1 4.24Å; L258-I262 HydrophobicContact CG-CD1 3.93Å; L258-I262 WeakPolarHBondContact O-CD1 3.36Å; L258-I262 WeakPolarHBondContact O-CG1 3.5Å; L258-I262 PolarHBondContact O-N 3.44Å; L258-I274 HydrophobicContact CD1-CD1 4.16Å; L258-I274 HydrophobicContact CD1-CG2 3.65Å; L258-A276 HydrophobicContact CD1-CB 4.38Å; L258-A276 HydrophobicContact CD2-CB 4.06Å; L258-K282 HydrophobicContact CD2-CB 4.44Å; L258-K282 HydrophobicContact CD2-CG 4.23Å; L258-A285 HydrophobicContact CB-CB 4.09Å; L258-A285 HydrophobicContact CD2-CB 3.73Å; L258-A285 HydrophobicContact CG-CB 3.76Å; L258-I650 HydrophobicContact CD1-CD1 3.85Å; L258-I650 HydrophobicContact CD2-CD1 3.9Å; L258-I650 HydrophobicContact CG-CD1 4.36Å; L258-V678 HydrophobicContact CB-CG1 4.43Å; L258-V678 HydrophobicContact CB-CG2 4.19Å; L258-V678 HydrophobicContact CD1-CG2 4.02Å |
| 259 | A | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L236 Q255 L256 Y257 I262 L263 A285 A289 | L236-A259 VanDerWaalsContact CD2-C 3.43Å; L236-A259 HydrophobicContact CD2-CB 3.91Å; L236-A259 WeakPolarHBondContact CD2-O 3Å; Q255-A259 PolarHBondContact O-N 2.93Å; L256-A259 WeakPolarHBondContact O-CA 3.36Å; L256-A259 WeakPolarHBondContact O-CB 2.76Å; L256-A259 PolarHBondContact O-N 2.92Å; Y257-A259 PolarHBondContact O-N 2.66Å; A259-I262 PolarHBondContact O-N 2.66Å; A259-L263 WeakPolarHBondContact O-CB 3.33Å; A259-L263 PolarHBondContact O-N 2.98Å; A259-A285 HydrophobicContact CB-CB 4.02Å; A259-A285 WeakPolarHBondContact CB-O 3.47Å; A259-A289 WeakPolarHBondContact O-CB 3.5Å |
| 260 | E | 98 | Very high | 95.6 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 36% | 0.36 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 177.3 | -73.4 | 175.1 | 159.3 | 0 | 0 | 111.2 | L236 L256 Y257 L263 D264 | L236-E260 HydrophobicContact CD2-CB 4.33Å; L236-E260 HydrophobicContact CD2-CG 3.83Å; L256-E260 HydrophobicContact CD1-CG 3.94Å; L256-E260 HydrophobicContact CG-CG 4.29Å; L256-E260 WeakPolarHBondContact O-CG 3.32Å; L256-E260 PolarHBondContact O-N 3.2Å; Y257-E260 PolarHBondContact O-N 3.5Å; E260-L263 PolarHBondContact O-N 3.25Å; E260-D264 WeakPolarHBondContact O-CB 3.22Å; E260-D264 PolarHBondContact O-N 2.61Å |
| 261 | T | 97.6 | Very high | 96 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.4 | -49.9 | 173.8 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | Y257 L258 L263 D264 Q265 I274 F676 | Y257-T261 WeakPolarHBondContact O-CB 3.49Å; Y257-T261 PolarHBondContact O-N 2.89Å; Y257-T261 PolarHBondContact O-OG1 3.49Å; L258-T261 PolarHBondContact O-N 3.01Å; T261-L263 VanDerWaalsContact C-N 3.34Å; T261-L263 PolarHBondContact O-N 3.44Å; T261-D264 PolarHBondContact O-N 3.28Å; T261-Q265 VanDerWaalsContact O-CG 3.26Å; T261-Q265 WeakPolarHBondContact O-CG 3.31Å; T261-Q265 PolarHBondContact O-N 3.33Å; T261-Q265 VanDerWaalsContact O-N 3.08Å; T261-I274 HydrophobicContact CG2-CD1 3.97Å; T261-F676 HydrophobicContact CG2-CB 4.16Å; T261-F676 HydrophobicContact CG2-CD1 3.62Å; T261-F676 HydrophobicContact CG2-CD2 3.53Å; T261-F676 HydrophobicContact CG2-CE1 3.77Å; T261-F676 HydrophobicContact CG2-CE2 3.67Å; T261-F676 HydrophobicContact CG2-CG 3.49Å; T261-F676 VanDerWaalsContact CG2-CG 3.49Å; T261-F676 HydrophobicContact CG2-CZ 3.79Å |
| 262 | I | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | -179.6 | -66 | 165.8 | 0 | 0 | 0 | 111 | L258 A259 Q265 L266 I274 A289 I446 I648 I650 | L258-I262 HydrophobicContact CD1-CD1 3.88Å; L258-I262 HydrophobicContact CD1-CG1 4.24Å; L258-I262 HydrophobicContact CG-CD1 3.93Å; L258-I262 WeakPolarHBondContact O-CD1 3.36Å; L258-I262 WeakPolarHBondContact O-CG1 3.5Å; L258-I262 PolarHBondContact O-N 3.44Å; A259-I262 PolarHBondContact O-N 2.66Å; I262-Q265 PolarHBondContact O-N 3.44Å; I262-L266 HydrophobicContact CG2-CD1 4.11Å; I262-L266 WeakPolarHBondContact O-CG 3.39Å; I262-L266 PolarHBondContact O-N 2.67Å; I262-L266 VanDerWaalsContact O-N 3.09Å; I262-I274 HydrophobicContact CG1-CD1 3.81Å; I262-A289 HydrophobicContact CB-CB 3.75Å; I262-A289 HydrophobicContact CG2-CB 3.53Å; I262-I446 HydrophobicContact CG2-CD1 3.73Å; I262-I446 HydrophobicContact CG2-CG1 4.39Å; I262-I648 HydrophobicContact CG1-CG2 4.39Å; I262-I650 HydrophobicContact CD1-CD1 4.48Å |
| 263 | L | 98.4 | Very high | 96.7 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 178.1 | 176 | 62 | 0 | 0 | 0 | 111.3 | L236 A259 E260 T261 Q265 L266 M267 A289 M292 Y293 | L236-L263 HydrophobicContact CB-CD2 3.87Å; L236-L263 HydrophobicContact CD2-CB 3.98Å; L236-L263 HydrophobicContact CD2-CD2 3.77Å; L236-L263 HydrophobicContact CG-CD2 4.27Å; A259-L263 WeakPolarHBondContact O-CB 3.33Å; A259-L263 PolarHBondContact O-N 2.98Å; E260-L263 PolarHBondContact O-N 3.25Å; T261-L263 VanDerWaalsContact C-N 3.34Å; T261-L263 PolarHBondContact O-N 3.44Å; L263-Q265 VanDerWaalsContact C-N 3.29Å; L263-Q265 PolarHBondContact O-N 2.99Å; L263-L266 WeakPolarHBondContact O-CB 3.35Å; L263-L266 PolarHBondContact O-N 3.01Å; L263-L266 VanDerWaalsContact O-N 3.15Å; L263-M267 HydrophobicContact CD1-CG 3.95Å; L263-M267 HydrophobicContact CD1-SD 4.44Å; L263-M267 HydrophobicContact CG-CG 4.2Å; L263-M267 VanDerWaalsContact O-CG 3.29Å; L263-M267 WeakPolarHBondContact O-CG 3.42Å; L263-M267 PolarHBondContact O-N 3.37Å; L263-A289 HydrophobicContact CB-CB 4.16Å; L263-M292 HydrophobicContact CD1-CB 4.16Å; L263-M292 HydrophobicContact CD1-CG 4.28Å; L263-M292 HydrophobicContact CD2-CB 4.06Å; L263-M292 HydrophobicContact CD2-CG 3.62Å; L263-Y293 HydrophobicContact CD1-CD2 4.38Å |
| 264 | D | 98 | Very high | 96.9 | Very high | 70 Ų | 70 | 34.8 Ų | 34.8 | 37% | 0.374 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.8 | -43.4 | 178.7 | 177.8 | 73.1 | 0 | 0 | 0 | 111.8 | E260 T261 L266 M267 H268 | E260-D264 WeakPolarHBondContact O-CB 3.22Å; E260-D264 PolarHBondContact O-N 2.61Å; T261-D264 PolarHBondContact O-N 3.28Å; D264-L266 PolarHBondContact O-N 3.49Å; D264-M267 PolarHBondContact O-N 2.92Å; D264-H268 PolarHBondContact O-N 2.97Å; D264-H268 VanDerWaalsContact O-N 3.11Å; D264-H268 PolarHBondContact O-ND1 2.78Å; D264-H268 IonicContact OD1-CE1 3.53Å; D264-H268 PolarHBondContact OD1-CE1 2.97Å; D264-H268 IonicContact OD1-ND1 2.81Å; D264-H268 PolarHBondContact OD1-ND1 3.33Å; D264-H268 VanDerWaalsContact OD1-ND1 3.14Å; D264-H268 IonicContact OD2-ND1 3.14Å |
| 265 | Q | 97.9 | Very high | 97 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.1 | -38.1 | 177.7 | -60.2 | -55.1 | -74.6 | 0 | 0 | 112.5 | T261 I262 L263 S269 E270 A272 I648 N674 F676 | T261-Q265 VanDerWaalsContact O-CG 3.26Å; T261-Q265 WeakPolarHBondContact O-CG 3.31Å; T261-Q265 PolarHBondContact O-N 3.33Å; T261-Q265 VanDerWaalsContact O-N 3.08Å; I262-Q265 PolarHBondContact O-N 3.44Å; L263-Q265 VanDerWaalsContact C-N 3.29Å; L263-Q265 PolarHBondContact O-N 2.99Å; Q265-S269 PolarHBondContact O-N 3.13Å; Q265-E270 HydrophobicContact CB-CB 4.37Å; Q265-E270 PolarHBondContact O-N 2.88Å; Q265-E270 VanDerWaalsContact OE1-CB 3.29Å; Q265-A272 HydrophobicContact CB-CB 4.35Å; Q265-A272 HydrophobicContact CG-CB 3.75Å; Q265-I648 HydrophobicContact CB-CD1 4.29Å; Q265-I648 HydrophobicContact CB-CG1 3.96Å; Q265-N674 PolarHBondContact OE1-ND2 3.04Å; Q265-F676 HydrophobicContact CG-CE2 4.07Å |
| 266 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66 | -41.5 | 174.2 | -67.4 | 169.3 | 0 | 0 | 0 | 112 | I262 L263 D264 H268 S269 Y293 V301 D444 I446 S646 I648 | I262-L266 HydrophobicContact CG2-CD1 4.11Å; I262-L266 WeakPolarHBondContact O-CG 3.39Å; I262-L266 PolarHBondContact O-N 2.67Å; I262-L266 VanDerWaalsContact O-N 3.09Å; L263-L266 WeakPolarHBondContact O-CB 3.35Å; L263-L266 PolarHBondContact O-N 3.01Å; L263-L266 VanDerWaalsContact O-N 3.15Å; D264-L266 PolarHBondContact O-N 3.49Å; L266-H268 VanDerWaalsContact C-N 3.33Å; L266-H268 PolarHBondContact O-N 3.42Å; L266-S269 PolarHBondContact O-N 2.8Å; L266-Y293 HydrophobicContact CB-CD1 4.33Å; L266-Y293 HydrophobicContact CB-CD2 3.55Å; L266-Y293 HydrophobicContact CB-CE1 4.47Å; L266-Y293 HydrophobicContact CB-CE2 3.74Å; L266-Y293 HydrophobicContact CB-CG 3.85Å; L266-Y293 HydrophobicContact CD1-CD1 4.47Å; L266-Y293 HydrophobicContact CD1-CG 4.11Å; L266-Y293 WeakPolarHBondContact O-CE2 3.4Å; L266-Y293 PolarHBondContact O-OH 2.9Å; L266-V301 HydrophobicContact CD1-CG2 4.41Å; L266-D444 HydrophobicContact CD2-CB 3.93Å; L266-I446 HydrophobicContact CD1-CD1 4.34Å; L266-S646 PolarHBondContact O-OG 3.29Å; L266-I648 HydrophobicContact CD2-CD1 3.52Å; L266-I648 HydrophobicContact CG-CD1 3.86Å |
| 267 | M | 97.6 | Very high | 96 | Very high | 74 Ų | 74 | 31.7 Ų | 31.7 | 37% | 0.365 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.3 | -37 | -179.5 | -71.9 | -61.7 | -70.7 | 0 | 0 | 112.4 | L263 D264 Y293 E296 T297 | L263-M267 HydrophobicContact CD1-CG 3.95Å; L263-M267 HydrophobicContact CD1-SD 4.44Å; L263-M267 HydrophobicContact CG-CG 4.2Å; L263-M267 VanDerWaalsContact O-CG 3.29Å; L263-M267 WeakPolarHBondContact O-CG 3.42Å; L263-M267 PolarHBondContact O-N 3.37Å; D264-M267 PolarHBondContact O-N 2.92Å; M267-Y293 HydrophobicContact CG-CD2 4.14Å; M267-Y293 HydrophobicContact CG-CE2 4.43Å; M267-Y293 HydrophobicContact SD-CD2 3.52Å; M267-Y293 VanDerWaalsContact SD-CD2 3.52Å; M267-Y293 HydrophobicContact SD-CE2 3.77Å; M267-E296 HydrophobicContact CE-CB 4.48Å; M267-E296 VanDerWaalsContact CE-OE2 3.3Å; M267-E296 WeakPolarHBondContact CE-OE2 3.15Å; M267-T297 HydrophobicContact CE-CG2 4.06Å; M267-T297 HydrophobicContact SD-CG2 3.58Å; M267-T297 VanDerWaalsContact SD-CG2 3.58Å |
| 268 | H | 96.9 | Very high | 94.8 | Very high | 117 Ų | 117 | 31.3 Ų | 31.3 | 54% | 0.542 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 2.7 | -177.8 | -63.4 | 99.7 | 0 | 0 | 0 | 114.4 | D264 L266 E270 | D264-H268 PolarHBondContact O-N 2.97Å; D264-H268 VanDerWaalsContact O-N 3.11Å; D264-H268 PolarHBondContact O-ND1 2.78Å; D264-H268 IonicContact OD1-CE1 3.53Å; D264-H268 PolarHBondContact OD1-CE1 2.97Å; D264-H268 IonicContact OD1-ND1 2.81Å; D264-H268 PolarHBondContact OD1-ND1 3.33Å; D264-H268 VanDerWaalsContact OD1-ND1 3.14Å; D264-H268 IonicContact OD2-ND1 3.14Å; L266-H268 VanDerWaalsContact C-N 3.33Å; L266-H268 PolarHBondContact O-N 3.42Å; H268-E270 VanDerWaalsContact C-N 3.29Å; H268-E270 HydrophobicContact CB-CG 3.65Å; H268-E270 PolarHBondContact O-N 2.89Å |
| 269 | S | 95.9 | Very high | 93.5 | Very high | 53 Ų | 53 | 34 Ų | 34 | 37% | 0.371 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 39 | -176.2 | -54.9 | 0 | 0 | 0 | 0 | 113.4 | Q265 L266 S646 | Q265-S269 PolarHBondContact O-N 3.13Å; L266-S269 PolarHBondContact O-N 2.8Å; S269-S646 VanDerWaalsContact CA-OG 3.3Å; S269-S646 WeakPolarHBondContact CA-OG 3.45Å |
| 270 | E | 96.8 | Very high | 92.3 | Very high | 75 Ų | 75 | 34.1 Ų | 34.1 | 35% | 0.35 | 19% | 0.189 | S | C | . | . | trans | -97.6 | 163.5 | -172.9 | -69.5 | -67.4 | 175 | 0 | 0 | 113 | Q265 H268 S646 L647 | Q265-E270 HydrophobicContact CB-CB 4.37Å; Q265-E270 PolarHBondContact O-N 2.88Å; Q265-E270 VanDerWaalsContact OE1-CB 3.29Å; H268-E270 VanDerWaalsContact C-N 3.29Å; H268-E270 HydrophobicContact CB-CG 3.65Å; H268-E270 PolarHBondContact O-N 2.89Å; E270-S646 VanDerWaalsContact O-CA 3.28Å; E270-S646 WeakPolarHBondContact O-CA 3.4Å; E270-L647 PolarHBondContact O-N 2.65Å; E270-L647 VanDerWaalsContact O-N 3.09Å | ||
| 271 | K | 97.2 | Very high | 91.6 | Very high | 36 Ų | 36 | 31.5 Ų | 31.5 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127 | 175.1 | -63.9 | 179.8 | 168.5 | 170.7 | 0 | 109.7 | L641 L647 V671 F673 N674 | K271-L641 HydrophobicContact CD-CD1 3.73Å; K271-L641 WeakPolarHBondContact CE-O 3.41Å; K271-L641 PolarHBondContact NZ-O 3.24Å; K271-L647 CarbonylContact C-O 3.56Å; K271-L647 VanDerWaalsContact CA-O 3.3Å; K271-L647 WeakPolarHBondContact CA-O 3.42Å; K271-L647 HydrophobicContact CG-CB 4.13Å; K271-V671 HydrophobicContact CD-CG1 3.66Å; K271-F673 HydrophobicContact CB-CD1 3.7Å; K271-F673 HydrophobicContact CB-CE1 3.84Å; K271-F673 CarbonylContact O-C 3.59Å; K271-F673 VanDerWaalsContact O-CA 3.3Å; K271-F673 WeakPolarHBondContact O-CA 3.35Å; K271-N674 PolarHBondContact O-N 3.5Å |
| 272 | A | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q265 L647 I648 F649 N674 F676 | Q265-A272 HydrophobicContact CB-CB 4.35Å; Q265-A272 HydrophobicContact CG-CB 3.75Å; A272-L647 PolarHBondContact N-O 3.22Å; A272-I648 HydrophobicContact CB-CG1 4.35Å; A272-I648 HydrophobicContact CB-CG2 4.46Å; A272-F649 PolarHBondContact O-N 3.12Å; A272-N674 CarbonylContact C-O 3.57Å; A272-N674 WeakPolarHBondContact CA-O 3.13Å; A272-N674 HydrophobicContact CB-CB 4.4Å; A272-F676 HydrophobicContact CB-CD2 4.35Å; A272-F676 HydrophobicContact CB-CE2 4.13Å |
| 273 | M | 97.5 | Very high | 91 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.5 | 169.9 | -65.3 | 179.7 | -177.2 | 0 | 0 | 109.2 | F649 L654 F660 F663 K664 F667 F673 N674 T675 F676 | M273-F649 HydrophobicContact CE-CD2 4.43Å; M273-F649 HydrophobicContact CG-CB 4.39Å; M273-F649 HydrophobicContact CG-CD2 4.19Å; M273-L654 HydrophobicContact CB-CD1 4.13Å; M273-F660 HydrophobicContact CB-CD1 3.61Å; M273-F660 HydrophobicContact CB-CE1 3.88Å; M273-F660 HydrophobicContact CB-CG 4.24Å; M273-F660 HydrophobicContact SD-CB 3.94Å; M273-F660 HydrophobicContact SD-CD1 4.22Å; M273-F660 HydrophobicContact SD-CG 4.43Å; M273-F663 HydrophobicContact CE-CD1 3.62Å; M273-F663 HydrophobicContact CE-CE1 4.14Å; M273-F663 HydrophobicContact CG-CD1 4.47Å; M273-F663 HydrophobicContact SD-CD1 3.79Å; M273-K664 HydrophobicContact CE-CB 4.18Å; M273-F667 HydrophobicContact CE-CE2 4.21Å; M273-F673 HydrophobicContact CE-CB 4.39Å; M273-F673 HydrophobicContact CE-CD1 3.75Å; M273-F673 HydrophobicContact CE-CD2 3.58Å; M273-F673 HydrophobicContact CE-CE1 3.78Å; M273-F673 HydrophobicContact CE-CE2 3.61Å; M273-F673 HydrophobicContact CE-CG 3.65Å; M273-F673 HydrophobicContact CE-CZ 3.69Å; M273-F673 HydrophobicContact CG-CB 4.24Å; M273-F673 HydrophobicContact CG-CD1 4.06Å; M273-F673 HydrophobicContact CG-CG 4.22Å; M273-F673 HydrophobicContact SD-CB 4.41Å; M273-F673 HydrophobicContact SD-CG 4.28Å; M273-N674 PolarHBondContact N-O 2.94Å; M273-T675 WeakPolarHBondContact O-CA 3.5Å; M273-F676 PolarHBondContact O-N 2.9Å |
| 274 | I | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 114.9 | -174.3 | -50 | -176.8 | 0 | 0 | 0 | 109.5 | L258 T261 I262 A276 I648 F649 I650 S651 F676 V678 | L258-I274 HydrophobicContact CD1-CD1 4.16Å; L258-I274 HydrophobicContact CD1-CG2 3.65Å; T261-I274 HydrophobicContact CG2-CD1 3.97Å; I262-I274 HydrophobicContact CG1-CD1 3.81Å; I274-A276 HydrophobicContact CG2-CB 4.31Å; I274-I648 HydrophobicContact CD1-CG2 3.67Å; I274-I648 HydrophobicContact CG1-CG2 4.14Å; I274-F649 PolarHBondContact N-O 2.86Å; I274-I650 HydrophobicContact CB-CB 4.46Å; I274-I650 HydrophobicContact CB-CG1 4.23Å; I274-I650 HydrophobicContact CG2-CG1 4.4Å; I274-I650 WeakPolarHBondContact O-CA 3.38Å; I274-S651 PolarHBondContact O-N 3.05Å; I274-S651 VanDerWaalsContact O-N 3.14Å; I274-F676 WeakPolarHBondContact CA-O 3.43Å; I274-F676 HydrophobicContact CG1-CB 4.21Å; I274-F676 HydrophobicContact CG1-CD2 4.14Å; I274-F676 HydrophobicContact CG2-CB 4.27Å; I274-V678 HydrophobicContact CG2-CG2 4.32Å |
| 275 | E | 93.7 | Very high | 90.7 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 107.9 | 165.8 | -176.9 | 160 | 111.1 | 0 | 0 | 108.8 | S651 T653 L654 K655 F660 F676 V678 R836 | E275-S651 CarbonylContact C-O 3.52Å; E275-S651 WeakPolarHBondContact CA-O 3.37Å; E275-T653 WeakPolarHBondContact OE2-CA 3.24Å; E275-L654 PolarHBondContact OE2-N 3.04Å; E275-K655 HydrophobicContact CB-CG 4.29Å; E275-K655 WeakPolarHBondContact OE1-CE 3.26Å; E275-K655 WeakPolarHBondContact OE2-CB 3.47Å; E275-K655 PolarHBondContact OE2-N 3.36Å; E275-F660 HydrophobicContact CB-CE1 4.07Å; E275-F660 HydrophobicContact CB-CZ 3.89Å; E275-F676 PolarHBondContact N-O 2.99Å; E275-F676 VanDerWaalsContact N-O 3.07Å; E275-V678 PolarHBondContact O-N 2.88Å; E275-R836 IonicContact OE1-CZ 3.83Å; E275-R836 IonicContact OE1-NH1 3.93Å; E275-R836 PolarHBondContact OE1-NH1 3.47Å; E275-R836 IonicContact OE1-NH2 3.19Å; E275-R836 IonicContact OE2-CZ 3.5Å; E275-R836 IonicContact OE2-NH1 3.98Å; E275-R836 IonicContact OE2-NH2 3.06Å; E275-R836 PolarHBondContact OE2-NH2 2.89Å |
| 276 | A | 89.9 | Confident | 90.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 113.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L258 I274 K282 I650 S651 G652 V678 | L258-A276 HydrophobicContact CD1-CB 4.38Å; L258-A276 HydrophobicContact CD2-CB 4.06Å; I274-A276 HydrophobicContact CG2-CB 4.31Å; A276-K282 HydrophobicContact CB-CD 3.97Å; A276-K282 HydrophobicContact CB-CG 3.95Å; A276-I650 HydrophobicContact CB-CD1 3.96Å; A276-I650 HydrophobicContact CB-CG1 4.04Å; A276-S651 PolarHBondContact N-O 2.96Å; A276-G652 VanDerWaalsContact O-CA 3.23Å; A276-G652 WeakPolarHBondContact O-CA 3.27Å; A276-V678 HydrophobicContact CB-CB 4.14Å |
| 277 | S | 78.7 | Confident | 90.6 | Very high | 20 Ų | 20 | 29.6 Ų | 29.6 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | trans | -54.9 | 154.1 | -173.5 | -57.1 | 0 | 0 | 0 | 0 | 113.1 | G279 S280 V678 T680 | S277-G279 PolarHBondContact O-N 3.21Å; S277-S280 WeakPolarHBondContact O-CB 3.49Å; S277-S280 PolarHBondContact O-N 2.88Å; S277-S280 VanDerWaalsContact O-N 3.11Å; S277-S280 PolarHBondContact O-OG 3.33Å; S277-V678 PolarHBondContact N-O 3.21Å; S277-V678 VanDerWaalsContact N-O 3.13Å; S277-T680 WeakPolarHBondContact CB-OG1 3.48Å | ||
| 278 | L | 71.3 | Confident | 90.6 | Very high | 97 Ų | 97 | 26 Ų | 26 | 51% | 0.508 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 137.6 | 171.3 | -75.2 | 157.1 | 0 | 0 | 0 | 110.4 | S280 | L278-S280 VanDerWaalsContact C-N 3.27Å; L278-S280 PolarHBondContact O-N 3.42Å |
| 279 | G | 69.8 | Low | 90.6 | Very high | 57 Ų | 57 | 20.5 Ų | 20.5 | 59% | 0.588 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -4.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R252 S277 G281 | R252-G279 PolarHBondContact NH1-O 3.37Å; S277-G279 PolarHBondContact O-N 3.21Å; G279-G281 PolarHBondContact O-N 3.38Å |
| 280 | S | 72.8 | Confident | 90.7 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -61.2 | -10.5 | 172 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | Q255 S277 L278 K282 | Q255-S280 WeakPolarHBondContact CB-O 3.18Å; S277-S280 WeakPolarHBondContact O-CB 3.49Å; S277-S280 PolarHBondContact O-N 2.88Å; S277-S280 VanDerWaalsContact O-N 3.11Å; S277-S280 PolarHBondContact O-OG 3.33Å; L278-S280 VanDerWaalsContact C-N 3.27Å; L278-S280 PolarHBondContact O-N 3.42Å; S280-K282 VanDerWaalsContact OG-CG 3.26Å; S280-K282 WeakPolarHBondContact OG-CG 3.46Å |
| 281 | G | 83.4 | Confident | 90.6 | Very high | 21 Ų | 21 | 14.4 Ų | 14.4 | 22% | 0.216 | 10% | 0.096 | C | C | . | . | trans | 78.4 | 34.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q255 G279 S283 L284 A285 | Q255-G281 VanDerWaalsContact NE2-CA 3.32Å; Q255-G281 PolarHBondContact NE2-O 3.48Å; G279-G281 PolarHBondContact O-N 3.38Å; G281-S283 PolarHBondContact O-N 2.83Å; G281-L284 PolarHBondContact O-N 3.25Å; G281-A285 PolarHBondContact O-N 3.22Å | ||
| 282 | K | 90.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 12.9 Ų | 12.9 | 6% | 0.061 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -43.1 | -47.3 | 178.8 | -60.3 | -171.3 | -71.5 | 161.8 | 0 | 113.4 | L258 A276 S280 A285 Y286 D448 E449 I650 | L258-K282 HydrophobicContact CD2-CB 4.44Å; L258-K282 HydrophobicContact CD2-CG 4.23Å; A276-K282 HydrophobicContact CB-CD 3.97Å; A276-K282 HydrophobicContact CB-CG 3.95Å; S280-K282 VanDerWaalsContact OG-CG 3.26Å; S280-K282 WeakPolarHBondContact OG-CG 3.46Å; K282-A285 WeakPolarHBondContact O-CB 3.23Å; K282-A285 PolarHBondContact O-N 3.28Å; K282-A285 VanDerWaalsContact O-N 3.15Å; K282-Y286 WeakPolarHBondContact O-CD1 3.43Å; K282-Y286 PolarHBondContact O-N 2.9Å; K282-D448 IonicContact NZ-OD1 3.84Å; K282-D448 PolarHBondContact NZ-OD1 3.26Å; K282-E449 IonicContact NZ-OE1 3.76Å; K282-E449 PolarHBondContact NZ-OE1 3.07Å; K282-E449 IonicContact NZ-OE2 3.16Å; K282-I650 HydrophobicContact CB-CD1 4.01Å; K282-I650 HydrophobicContact CD-CD1 3.8Å; K282-I650 HydrophobicContact CD-CG1 3.92Å; K282-I650 HydrophobicContact CG-CD1 3.86Å |
| 283 | S | 92 | Very high | 90.5 | Very high | 26 Ų | 26 | 12.9 Ų | 12.9 | 18% | 0.182 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.2 | -54.8 | -175.3 | -57.4 | 0 | 0 | 0 | 0 | 113.6 | G281 A285 Y286 L287 | G281-S283 PolarHBondContact O-N 2.83Å; S283-A285 VanDerWaalsContact C-N 3.25Å; S283-A285 PolarHBondContact O-N 2.7Å; S283-Y286 VanDerWaalsContact CA-CE1 3.43Å; S283-Y286 VanDerWaalsContact O-CD2 3.24Å; S283-Y286 WeakPolarHBondContact O-CD2 3.26Å; S283-Y286 WeakPolarHBondContact O-CE2 3.34Å; S283-Y286 PolarHBondContact O-N 2.96Å; S283-Y286 PolarHBondContact OG-OH 3.48Å; S283-L287 WeakPolarHBondContact O-CB 3.46Å; S283-L287 VanDerWaalsContact O-CG 3.26Å; S283-L287 WeakPolarHBondContact O-CG 3.32Å; S283-L287 PolarHBondContact O-N 3.06Å |
| 284 | L | 93.9 | Very high | 90.4 | Very high | 21 Ų | 21 | 13.3 Ų | 13.3 | 11% | 0.11 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.7 | -35.6 | 177 | -179.3 | 64.2 | 0 | 0 | 0 | 111.6 | L249 G281 L287 L288 M322 | L249-L284 HydrophobicContact CD1-CD2 3.68Å; G281-L284 PolarHBondContact O-N 3.25Å; L284-L287 PolarHBondContact O-N 2.99Å; L284-L288 HydrophobicContact CD1-CD1 3.92Å; L284-L288 HydrophobicContact CD1-CG 4.04Å; L284-L288 HydrophobicContact CD2-CD1 4.5Å; L284-L288 HydrophobicContact CG-CD1 3.83Å; L284-L288 HydrophobicContact CG-CG 4.36Å; L284-L288 WeakPolarHBondContact O-CB 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 3.3Å; L284-M322 HydrophobicContact CD1-CG 4.09Å; L284-M322 HydrophobicContact CD1-SD 3.65Å |
| 285 | A | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.5 | -50.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q255 L258 A259 G281 K282 S283 L287 L288 A289 | Q255-A285 HydrophobicContact CG-CB 4.07Å; L258-A285 HydrophobicContact CB-CB 4.09Å; L258-A285 HydrophobicContact CD2-CB 3.73Å; L258-A285 HydrophobicContact CG-CB 3.76Å; A259-A285 HydrophobicContact CB-CB 4.02Å; A259-A285 WeakPolarHBondContact CB-O 3.47Å; G281-A285 PolarHBondContact O-N 3.22Å; K282-A285 WeakPolarHBondContact O-CB 3.23Å; K282-A285 PolarHBondContact O-N 3.28Å; K282-A285 VanDerWaalsContact O-N 3.15Å; S283-A285 VanDerWaalsContact C-N 3.25Å; S283-A285 PolarHBondContact O-N 2.7Å; A285-L287 VanDerWaalsContact C-N 3.33Å; A285-L287 PolarHBondContact O-N 3.25Å; A285-L288 PolarHBondContact O-N 3.3Å; A285-A289 WeakPolarHBondContact O-CB 3.4Å; A285-A289 PolarHBondContact O-N 3.19Å |
| 286 | Y | 97.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.9 | -30.2 | 178 | 60.9 | -122.1 | 0 | 0 | 0 | 112.9 | K282 S283 A290 I303 L314 I446 D448 | K282-Y286 WeakPolarHBondContact O-CD1 3.43Å; K282-Y286 PolarHBondContact O-N 2.9Å; S283-Y286 VanDerWaalsContact CA-CE1 3.43Å; S283-Y286 VanDerWaalsContact O-CD2 3.24Å; S283-Y286 WeakPolarHBondContact O-CD2 3.26Å; S283-Y286 WeakPolarHBondContact O-CE2 3.34Å; S283-Y286 PolarHBondContact O-N 2.96Å; S283-Y286 PolarHBondContact OG-OH 3.48Å; Y286-A290 VanDerWaalsContact O-CB 3.24Å; Y286-A290 WeakPolarHBondContact O-CB 3.42Å; Y286-A290 PolarHBondContact O-N 3.24Å; Y286-I303 HydrophobicContact CD2-CD1 3.82Å; Y286-I303 HydrophobicContact CD2-CG2 4.32Å; Y286-I303 HydrophobicContact CE2-CD1 4.05Å; Y286-I303 HydrophobicContact CE2-CG2 3.95Å; Y286-L314 HydrophobicContact CE2-CD1 4.22Å; Y286-L314 HydrophobicContact CE2-CD2 3.99Å; Y286-L314 WeakPolarHBondContact OH-CD1 3.26Å; Y286-I446 HydrophobicContact CG-CG2 4.45Å; Y286-D448 HydrophobicContact CE1-CB 4.05Å |
| 287 | L | 96.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.9 | -45.2 | 176.4 | -76.1 | 179.9 | 0 | 0 | 0 | 111.1 | S283 L284 A285 A290 L291 I303 L314 D318 I319 M322 I421 | S283-L287 WeakPolarHBondContact O-CB 3.46Å; S283-L287 VanDerWaalsContact O-CG 3.26Å; S283-L287 WeakPolarHBondContact O-CG 3.32Å; S283-L287 PolarHBondContact O-N 3.06Å; L284-L287 PolarHBondContact O-N 2.99Å; A285-L287 VanDerWaalsContact C-N 3.33Å; A285-L287 PolarHBondContact O-N 3.25Å; L287-A290 PolarHBondContact O-N 2.99Å; L287-L291 WeakPolarHBondContact O-CB 3.26Å; L287-L291 PolarHBondContact O-N 3.08Å; L287-I303 HydrophobicContact CD2-CD1 3.8Å; L287-L314 HydrophobicContact CD1-CD2 3.75Å; L287-L314 HydrophobicContact CD2-CD2 4.38Å; L287-L314 HydrophobicContact CG-CD2 4.17Å; L287-D318 HydrophobicContact CD1-CB 3.88Å; L287-I319 HydrophobicContact CD1-CG1 3.99Å; L287-I319 HydrophobicContact CD2-CD1 3.83Å; L287-I319 HydrophobicContact CD2-CG1 3.84Å; L287-M322 HydrophobicContact CB-CE 4.17Å; L287-M322 HydrophobicContact CB-SD 3.75Å; L287-M322 HydrophobicContact CD1-SD 3.93Å; L287-I421 HydrophobicContact CD2-CD1 4.44Å |
| 288 | L | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 176.9 | -73.4 | 170.2 | 0 | 0 | 0 | 112 | L236 L239 Y240 A243 L284 A285 L291 M292 M322 L326 | L236-L288 HydrophobicContact CD1-CB 4.13Å; L239-L288 HydrophobicContact CD2-CD2 4.16Å; L239-L288 HydrophobicContact CG-CD2 4.2Å; Y240-L288 HydrophobicContact CD2-CD1 3.59Å; Y240-L288 HydrophobicContact CE2-CD1 4.44Å; Y240-L288 HydrophobicContact CG-CD1 4.4Å; A243-L288 HydrophobicContact CB-CD1 4.43Å; A243-L288 HydrophobicContact CB-CD2 4.06Å; L284-L288 HydrophobicContact CD1-CD1 3.92Å; L284-L288 HydrophobicContact CD1-CG 4.04Å; L284-L288 HydrophobicContact CD2-CD1 4.5Å; L284-L288 HydrophobicContact CG-CD1 3.83Å; L284-L288 HydrophobicContact CG-CG 4.36Å; L284-L288 WeakPolarHBondContact O-CB 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 3.3Å; A285-L288 PolarHBondContact O-N 3.3Å; L288-L291 PolarHBondContact O-N 3.06Å; L288-M292 VanDerWaalsContact O-CB 3.3Å; L288-M292 WeakPolarHBondContact O-CB 3.45Å; L288-M292 PolarHBondContact O-N 3.48Å; L288-M322 HydrophobicContact CD2-CE 3.59Å; L288-M322 HydrophobicContact CD2-SD 4.48Å; L288-M322 HydrophobicContact CG-CE 4.04Å; L288-L326 HydrophobicContact CD2-CD1 4.37Å |
| 289 | A | 97.8 | Very high | 92 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.5 | -48.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A259 I262 L263 A285 L291 M292 Y293 | A259-A289 WeakPolarHBondContact O-CB 3.5Å; I262-A289 HydrophobicContact CB-CB 3.75Å; I262-A289 HydrophobicContact CG2-CB 3.53Å; L263-A289 HydrophobicContact CB-CB 4.16Å; A285-A289 WeakPolarHBondContact O-CB 3.4Å; A285-A289 PolarHBondContact O-N 3.19Å; A289-L291 VanDerWaalsContact C-N 3.32Å; A289-L291 PolarHBondContact O-N 2.94Å; A289-M292 PolarHBondContact O-N 3.2Å; A289-Y293 VanDerWaalsContact O-CB 3.27Å; A289-Y293 WeakPolarHBondContact O-CB 3.43Å; A289-Y293 PolarHBondContact O-N 2.93Å |
| 290 | A | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y286 L287 N294 V301 I421 I446 | Y286-A290 VanDerWaalsContact O-CB 3.24Å; Y286-A290 WeakPolarHBondContact O-CB 3.42Å; Y286-A290 PolarHBondContact O-N 3.24Å; L287-A290 PolarHBondContact O-N 2.99Å; A290-N294 WeakPolarHBondContact O-CB 3.25Å; A290-N294 PolarHBondContact O-N 3.28Å; A290-V301 HydrophobicContact CB-CB 3.9Å; A290-V301 HydrophobicContact CB-CG1 3.99Å; A290-V301 HydrophobicContact CB-CG2 4.04Å; A290-I421 HydrophobicContact CB-CD1 4.17Å; A290-I421 HydrophobicContact CB-CG1 4.38Å; A290-I446 HydrophobicContact CB-CD1 4.44Å |
| 291 | L | 95.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.6 | -51.5 | 174.9 | 174.5 | 57.1 | 0 | 0 | 0 | 111.4 | T230 L239 L287 L288 A289 Y293 N294 I295 M322 L326 F328 I330 | T230-L291 HydrophobicContact CG2-CD1 4.36Å; L239-L291 HydrophobicContact CD2-CD2 4.34Å; L287-L291 WeakPolarHBondContact O-CB 3.26Å; L287-L291 PolarHBondContact O-N 3.08Å; L288-L291 PolarHBondContact O-N 3.06Å; A289-L291 VanDerWaalsContact C-N 3.32Å; A289-L291 PolarHBondContact O-N 2.94Å; L291-Y293 VanDerWaalsContact C-N 3.31Å; L291-Y293 PolarHBondContact O-N 3.25Å; L291-N294 WeakPolarHBondContact O-CB 3.4Å; L291-N294 PolarHBondContact O-N 3.02Å; L291-N294 VanDerWaalsContact O-N 3.16Å; L291-I295 HydrophobicContact CD1-CD1 3.99Å; L291-I295 HydrophobicContact CD1-CG1 4.24Å; L291-I295 HydrophobicContact CG-CD1 4.01Å; L291-I295 VanDerWaalsContact O-CG1 3.3Å; L291-I295 WeakPolarHBondContact O-CG1 3.42Å; L291-I295 PolarHBondContact O-N 3.48Å; L291-M322 HydrophobicContact CD2-CE 3.68Å; L291-L326 HydrophobicContact CD2-CD1 3.83Å; L291-F328 HydrophobicContact CD1-CD2 4.24Å; L291-F328 HydrophobicContact CD2-CD2 3.9Å; L291-F328 HydrophobicContact CD2-CE2 3.97Å; L291-F328 HydrophobicContact CG-CE2 4.45Å; L291-I330 HydrophobicContact CD1-CD1 3.87Å; L291-I330 HydrophobicContact CD1-CG2 3.61Å |
| 292 | M | 96.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 179.8 | -169.4 | 70.2 | -179 | 0 | 0 | 111.7 | Y232 G234 L236 L239 L263 L288 A289 N294 I295 E296 | Y232-M292 HydrophobicContact CD1-SD 4.14Å; Y232-M292 HydrophobicContact CE1-CE 4.17Å; Y232-M292 HydrophobicContact CE1-SD 3.93Å; G234-M292 WeakPolarHBondContact O-CE 3.33Å; L236-M292 HydrophobicContact CB-CG 4.2Å; L236-M292 HydrophobicContact CD1-CB 3.75Å; L236-M292 HydrophobicContact CD1-CG 4.12Å; L239-M292 HydrophobicContact CD2-CB 4.44Å; L239-M292 HydrophobicContact CD2-SD 4.09Å; L263-M292 HydrophobicContact CD1-CB 4.16Å; L263-M292 HydrophobicContact CD1-CG 4.28Å; L263-M292 HydrophobicContact CD2-CB 4.06Å; L263-M292 HydrophobicContact CD2-CG 3.62Å; L288-M292 VanDerWaalsContact O-CB 3.3Å; L288-M292 WeakPolarHBondContact O-CB 3.45Å; L288-M292 PolarHBondContact O-N 3.48Å; A289-M292 PolarHBondContact O-N 3.2Å; M292-N294 VanDerWaalsContact C-N 3.3Å; M292-N294 PolarHBondContact O-N 3.14Å; M292-I295 PolarHBondContact O-N 3.31Å; M292-I295 VanDerWaalsContact O-N 3.13Å; M292-E296 HydrophobicContact CE-CG 4.1Å; M292-E296 WeakPolarHBondContact CE-OE1 3.48Å; M292-E296 PolarHBondContact O-N 3.21Å |
| 293 | Y | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.5 | -44.4 | 174.2 | -176.6 | -111.9 | 0 | 0 | 0 | 112 | L263 L266 M267 A289 L291 E296 T297 K299 V301 D444 | L263-Y293 HydrophobicContact CD1-CD2 4.38Å; L266-Y293 HydrophobicContact CB-CD1 4.33Å; L266-Y293 HydrophobicContact CB-CD2 3.55Å; L266-Y293 HydrophobicContact CB-CE1 4.47Å; L266-Y293 HydrophobicContact CB-CE2 3.74Å; L266-Y293 HydrophobicContact CB-CG 3.85Å; L266-Y293 HydrophobicContact CD1-CD1 4.47Å; L266-Y293 HydrophobicContact CD1-CG 4.11Å; L266-Y293 WeakPolarHBondContact O-CE2 3.4Å; L266-Y293 PolarHBondContact O-OH 2.9Å; M267-Y293 HydrophobicContact CG-CD2 4.14Å; M267-Y293 HydrophobicContact CG-CE2 4.43Å; M267-Y293 HydrophobicContact SD-CD2 3.52Å; M267-Y293 VanDerWaalsContact SD-CD2 3.52Å; M267-Y293 HydrophobicContact SD-CE2 3.77Å; A289-Y293 VanDerWaalsContact O-CB 3.27Å; A289-Y293 WeakPolarHBondContact O-CB 3.43Å; A289-Y293 PolarHBondContact O-N 2.93Å; L291-Y293 VanDerWaalsContact C-N 3.31Å; L291-Y293 PolarHBondContact O-N 3.25Å; Y293-E296 PolarHBondContact O-N 2.91Å; Y293-T297 HydrophobicContact CD2-CG2 4.01Å; Y293-T297 HydrophobicContact CE2-CG2 3.77Å; Y293-T297 WeakPolarHBondContact O-CB 3.44Å; Y293-T297 PolarHBondContact O-N 3.38Å; Y293-T297 PolarHBondContact O-OG1 3.19Å; Y293-K299 HydrophobicContact CD1-CB 4.37Å; Y293-K299 HydrophobicContact CE1-CB 3.65Å; Y293-K299 HydrophobicContact CE1-CD 4.03Å; Y293-K299 WeakPolarHBondContact OH-CD 3.47Å; Y293-K299 PolarHBondContact OH-NZ 3.38Å; Y293-V301 HydrophobicContact CD1-CG2 3.5Å; Y293-V301 HydrophobicContact CE1-CG2 4.16Å; Y293-V301 HydrophobicContact CG-CG2 4.41Å; Y293-D444 HydrophobicContact CE1-CB 4.35Å; Y293-D444 WeakPolarHBondContact CE1-OD2 3.44Å; Y293-D444 PolarHBondContact OH-OD2 3.12Å; Y293-D444 VanDerWaalsContact OH-OD2 3.09Å |
| 294 | N | 94.3 | Very high | 95.4 | Very high | 10 Ų | 10 | 18.6 Ų | 18.6 | 5% | 0.053 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | 175.5 | -179.9 | -99 | 0 | 0 | 0 | 112.3 | A290 L291 M292 G298 K299 Q420 | A290-N294 WeakPolarHBondContact O-CB 3.25Å; A290-N294 PolarHBondContact O-N 3.28Å; L291-N294 WeakPolarHBondContact O-CB 3.4Å; L291-N294 PolarHBondContact O-N 3.02Å; L291-N294 VanDerWaalsContact O-N 3.16Å; M292-N294 VanDerWaalsContact C-N 3.3Å; M292-N294 PolarHBondContact O-N 3.14Å; N294-G298 WeakPolarHBondContact O-CA 2.98Å; N294-G298 PolarHBondContact O-N 2.87Å; N294-K299 WeakPolarHBondContact CA-O 3.23Å; N294-K299 PolarHBondContact ND2-O 3.04Å; N294-Q420 HydrophobicContact CB-CB 4.41Å; N294-Q420 VanDerWaalsContact CG-CG 3.44Å; N294-Q420 WeakPolarHBondContact OD1-CG 3.18Å |
| 295 | I | 93.5 | Very high | 95.4 | Very high | 34 Ų | 34 | 17.6 Ų | 17.6 | 17% | 0.174 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 178 | -67.8 | 171.4 | 0 | 0 | 0 | 111 | T230 Y232 L291 M292 F328 | T230-I295 HydrophobicContact CG2-CD1 4.41Å; T230-I295 HydrophobicContact CG2-CG1 4.18Å; Y232-I295 HydrophobicContact CD1-CD1 4.37Å; L291-I295 HydrophobicContact CD1-CD1 3.99Å; L291-I295 HydrophobicContact CD1-CG1 4.24Å; L291-I295 HydrophobicContact CG-CD1 4.01Å; L291-I295 VanDerWaalsContact O-CG1 3.3Å; L291-I295 WeakPolarHBondContact O-CG1 3.42Å; L291-I295 PolarHBondContact O-N 3.48Å; M292-I295 PolarHBondContact O-N 3.31Å; M292-I295 VanDerWaalsContact O-N 3.13Å; I295-F328 HydrophobicContact CD1-CE2 3.8Å; I295-F328 HydrophobicContact CD1-CZ 4.23Å |
| 296 | E | 93.9 | Very high | 94.9 | Very high | 101 Ų | 101 | 19 Ų | 19 | 47% | 0.472 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -79 | -33 | -175.5 | -68.8 | -171.5 | -173.1 | 0 | 0 | 113.6 | M267 M292 Y293 | M267-E296 HydrophobicContact CE-CB 4.48Å; M267-E296 VanDerWaalsContact CE-OE2 3.3Å; M267-E296 WeakPolarHBondContact CE-OE2 3.15Å; M292-E296 HydrophobicContact CE-CG 4.1Å; M292-E296 WeakPolarHBondContact CE-OE1 3.48Å; M292-E296 PolarHBondContact O-N 3.21Å; Y293-E296 PolarHBondContact O-N 2.91Å |
| 297 | T | 93.6 | Very high | 94.3 | Very high | 52 Ų | 52 | 21.9 Ų | 21.9 | 32% | 0.319 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -116 | -17 | -170.6 | 71.3 | 0 | 0 | 0 | 0 | 114.7 | M267 Y293 K299 | M267-T297 HydrophobicContact CE-CG2 4.06Å; M267-T297 HydrophobicContact SD-CG2 3.58Å; M267-T297 VanDerWaalsContact SD-CG2 3.58Å; Y293-T297 HydrophobicContact CD2-CG2 4.01Å; Y293-T297 HydrophobicContact CE2-CG2 3.77Å; Y293-T297 WeakPolarHBondContact O-CB 3.44Å; Y293-T297 PolarHBondContact O-N 3.38Å; Y293-T297 PolarHBondContact O-OG1 3.19Å; T297-K299 PolarHBondContact O-N 3.42Å; T297-K299 WeakPolarHBondContact OG1-CB 3.29Å; T297-K299 PolarHBondContact OG1-N 3.07Å; T297-K299 VanDerWaalsContact OG1-N 3.16Å |
| 298 | G | 91 | Very high | 93.5 | Very high | 49 Ų | 49 | 27.6 Ų | 27.6 | 51% | 0.505 | 15% | 0.149 | S | C | . | . | trans | 72.3 | -1.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N294 | N294-G298 WeakPolarHBondContact O-CA 2.98Å; N294-G298 PolarHBondContact O-N 2.87Å | ||
| 299 | K | 93.3 | Very high | 92.5 | Very high | 81 Ų | 81 | 34.2 Ų | 34.2 | 35% | 0.352 | 18% | 0.184 | S | C | . | . | trans | -80.1 | 156.4 | -177.9 | -65.6 | 174 | 174.9 | -179.6 | 0 | 112.7 | Y293 N294 T297 | Y293-K299 HydrophobicContact CD1-CB 4.37Å; Y293-K299 HydrophobicContact CE1-CB 3.65Å; Y293-K299 HydrophobicContact CE1-CD 4.03Å; Y293-K299 WeakPolarHBondContact OH-CD 3.47Å; Y293-K299 PolarHBondContact OH-NZ 3.38Å; N294-K299 WeakPolarHBondContact CA-O 3.23Å; N294-K299 PolarHBondContact ND2-O 3.04Å; T297-K299 PolarHBondContact O-N 3.42Å; T297-K299 WeakPolarHBondContact OG1-CB 3.29Å; T297-K299 PolarHBondContact OG1-N 3.07Å; T297-K299 VanDerWaalsContact OG1-N 3.16Å | ||
| 300 | H | 93.4 | Very high | 91.8 | Very high | 37 Ų | 37 | 35.5 Ų | 35.5 | 17% | 0.171 | 19% | 0.19 | C | C | . | . | trans | -97.5 | 143.1 | -176.6 | -49.1 | -76.6 | 0 | 0 | 0 | 111.1 | Q417 I419 Q420 F442 | H300-Q417 PolarHBondContact CE1-O 3.05Å; H300-I419 PolarHBondContact CE1-O 3.38Å; H300-I419 PolarHBondContact ND1-O 3.35Å; H300-Q420 WeakPolarHBondContact CA-O 3.24Å; H300-F442 HydrophobicContact CB-CD1 3.66Å; H300-F442 HydrophobicContact CB-CE1 3.72Å | ||
| 301 | V | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.3 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | L266 A290 Y293 Q420 I421 G422 F442 I446 | L266-V301 HydrophobicContact CD1-CG2 4.41Å; A290-V301 HydrophobicContact CB-CB 3.9Å; A290-V301 HydrophobicContact CB-CG1 3.99Å; A290-V301 HydrophobicContact CB-CG2 4.04Å; Y293-V301 HydrophobicContact CD1-CG2 3.5Å; Y293-V301 HydrophobicContact CE1-CG2 4.16Å; Y293-V301 HydrophobicContact CG-CG2 4.41Å; V301-Q420 PolarHBondContact N-O 3.16Å; V301-Q420 VanDerWaalsContact N-O 3.14Å; V301-I421 WeakPolarHBondContact O-CA 3.43Å; V301-G422 PolarHBondContact O-N 3.39Å; V301-F442 VanDerWaalsContact C-CD1 3.47Å; V301-I446 HydrophobicContact CG1-CD1 3.92Å; V301-I446 HydrophobicContact CG1-CG1 4.01Å |
| 302 | M | 96 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134 | 169.3 | -177.7 | 62.2 | 68.8 | 0 | 0 | 109.9 | I335 G422 T424 L429 Y439 F442 D444 C445 I446 | M302-I335 HydrophobicContact CE-CB 4.37Å; M302-I335 HydrophobicContact CE-CG1 4.18Å; M302-G422 CarbonylContact C-O 3.58Å; M302-G422 WeakPolarHBondContact CA-O 3.29Å; M302-T424 HydrophobicContact CG-CG2 3.92Å; M302-T424 HydrophobicContact SD-CG2 3.47Å; M302-T424 WeakPolarHBondContact SD-CG2 3.26Å; M302-L429 HydrophobicContact CG-CD1 4.24Å; M302-Y439 HydrophobicContact CE-CD1 3.78Å; M302-Y439 HydrophobicContact CE-CE1 3.85Å; M302-Y439 HydrophobicContact SD-CE1 4.44Å; M302-F442 HydrophobicContact CB-CB 3.83Å; M302-F442 HydrophobicContact CB-CD1 4.03Å; M302-F442 HydrophobicContact CB-CG 3.97Å; M302-F442 HydrophobicContact CE-CB 4.36Å; M302-F442 HydrophobicContact CE-CD1 4.26Å; M302-F442 HydrophobicContact CE-CD2 3.37Å; M302-F442 HydrophobicContact CE-CE1 4.42Å; M302-F442 HydrophobicContact CE-CE2 3.56Å; M302-F442 HydrophobicContact CE-CG 3.74Å; M302-F442 HydrophobicContact CE-CZ 4.09Å; M302-D444 PolarHBondContact N-O 3.05Å; M302-C445 HydrophobicContact CB-CB 4.31Å; M302-C445 CarbonylContact O-C 3.56Å; M302-C445 VanDerWaalsContact O-CA 3.3Å; M302-C445 WeakPolarHBondContact O-CA 3.38Å; M302-I446 PolarHBondContact O-N 3.5Å |
| 303 | I | 97.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.5 | 173.3 | -58.3 | 176.8 | 0 | 0 | 0 | 107.9 | Y286 L287 T305 I421 G422 I423 T424 I446 | Y286-I303 HydrophobicContact CD2-CD1 3.82Å; Y286-I303 HydrophobicContact CD2-CG2 4.32Å; Y286-I303 HydrophobicContact CE2-CD1 4.05Å; Y286-I303 HydrophobicContact CE2-CG2 3.95Å; L287-I303 HydrophobicContact CD2-CD1 3.8Å; I303-T305 HydrophobicContact CG2-CG2 4.15Å; I303-I421 HydrophobicContact CD1-CG2 3.56Å; I303-I421 HydrophobicContact CG1-CG2 4.07Å; I303-G422 PolarHBondContact N-O 2.64Å; I303-I423 HydrophobicContact CB-CG1 4.44Å; I303-I423 CarbonylContact O-C 3.32Å; I303-I423 WeakPolarHBondContact O-CA 3.39Å; I303-T424 PolarHBondContact O-N 2.72Å; I303-I446 CarbonylContact C-O 3.46Å; I303-I446 WeakPolarHBondContact CA-O 3.47Å |
| 304 | S | 96.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.4 | 175.2 | -166.7 | 0 | 0 | 0 | 0 | 110.4 | T424 N425 H426 I446 D448 | S304-T424 WeakPolarHBondContact CA-O 3.37Å; S304-N425 PolarHBondContact OG-O 3.02Å; S304-H426 PolarHBondContact O-CE1 3.41Å; S304-H426 WeakPolarHBondContact OG-CA 3.02Å; S304-H426 PolarHBondContact OG-N 3.46Å; S304-H426 PolarHBondContact OG-ND1 2.96Å; S304-I446 PolarHBondContact N-O 2.65Å; S304-D448 PolarHBondContact O-N 3.13Å |
| 305 | T | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 152.9 | -177 | 53.2 | 0 | 0 | 0 | 0 | 111 | I303 L310 Q311 L314 T424 N425 H426 | I303-T305 HydrophobicContact CG2-CG2 4.15Å; T305-L310 HydrophobicContact CG2-CD2 3.92Å; T305-L310 HydrophobicContact CG2-CG 4.19Å; T305-Q311 WeakPolarHBondContact OG1-CG 3.34Å; T305-Q311 PolarHBondContact OG1-NE2 3.31Å; T305-L314 HydrophobicContact CG2-CD1 3.84Å; T305-T424 PolarHBondContact N-O 3.28Å; T305-T424 PolarHBondContact OG1-O 3.26Å; T305-T424 VanDerWaalsContact OG1-O 3.05Å; T305-N425 VanDerWaalsContact O-CA 3.22Å; T305-N425 WeakPolarHBondContact O-CA 3.43Å; T305-H426 PolarHBondContact O-N 3Å |
| 306 | N | 87.1 | Confident | 89.9 | Confident | 30 Ų | 30 | 48.7 Ų | 48.7 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -76.8 | -34.7 | 179.1 | 177.1 | 48.5 | 0 | 0 | 0 | 113.5 | E449 Y456 | N306-E449 HydrophobicContact CB-CB 3.92Å; N306-E449 HydrophobicContact CB-CG 4.47Å; N306-Y456 PolarHBondContact O-OH 2.74Å; N306-Y456 VanDerWaalsContact O-OH 3.1Å; N306-Y456 VanDerWaalsContact OD1-CE2 3.27Å; N306-Y456 WeakPolarHBondContact OD1-CE2 3.3Å; N306-Y456 PolarHBondContact OD1-OH 2.92Å |
| 307 | T | 83.4 | Confident | 89.7 | Confident | 61 Ų | 61 | 50.5 Ų | 50.5 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | trans | -121.5 | 143.9 | -170.8 | 73.9 | 0 | 0 | 0 | 0 | 113.3 | L309 L310 Q311 | T307-L309 PolarHBondContact O-N 3.01Å; T307-L310 PolarHBondContact O-N 2.93Å; T307-L310 WeakPolarHBondContact OG1-CB 3.11Å; T307-L310 PolarHBondContact OG1-N 3.49Å; T307-Q311 WeakPolarHBondContact O-CG 3.42Å; T307-Q311 PolarHBondContact O-N 3.4Å | ||
| 308 | K | 80 | Confident | 89.6 | Confident | 120 Ų | 120 | 49.6 Ų | 49.6 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.3 | -31.2 | 173.3 | -63.7 | -171.9 | 180 | -168.5 | 0 | 112.9 | Q311 S312 | K308-Q311 WeakPolarHBondContact O-CB 3.49Å; K308-Q311 PolarHBondContact O-N 3.45Å; K308-S312 PolarHBondContact O-N 3.02Å; K308-S312 PolarHBondContact O-OG 3.42Å |
| 309 | L | 75.5 | Confident | 89.8 | Confident | 139 Ų | 139 | 47.5 Ų | 47.5 | 73% | 0.728 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.6 | -47.5 | 176.9 | -179 | 64 | 0 | 0 | 0 | 111 | T307 Q311 S312 Q313 | T307-L309 PolarHBondContact O-N 3.01Å; L309-Q311 VanDerWaalsContact C-N 3.31Å; L309-Q311 PolarHBondContact O-N 2.94Å; L309-S312 PolarHBondContact O-N 3.32Å; L309-Q313 PolarHBondContact O-N 3.19Å |
| 310 | L | 84 | Confident | 89.8 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 177 | -177.4 | 60.3 | 0 | 0 | 0 | 111.5 | T305 T307 S312 Q313 L314 D448 | T305-L310 HydrophobicContact CG2-CD2 3.92Å; T305-L310 HydrophobicContact CG2-CG 4.19Å; T307-L310 PolarHBondContact O-N 2.93Å; T307-L310 WeakPolarHBondContact OG1-CB 3.11Å; T307-L310 PolarHBondContact OG1-N 3.49Å; L310-S312 VanDerWaalsContact C-N 3.35Å; L310-S312 PolarHBondContact O-N 2.89Å; L310-Q313 PolarHBondContact O-N 3.24Å; L310-L314 HydrophobicContact CD1-CG 4.36Å; L310-L314 HydrophobicContact CG-CD1 4.28Å; L310-L314 HydrophobicContact CG-CG 4.45Å; L310-L314 VanDerWaalsContact O-CG 3.26Å; L310-L314 WeakPolarHBondContact O-CG 3.28Å; L310-L314 PolarHBondContact O-N 3.07Å; L310-D448 WeakPolarHBondContact CD2-OD2 3.41Å |
| 311 | Q | 88 | Confident | 89.8 | Confident | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.2 | -48 | 175.4 | -65.7 | 173 | -8.3 | 0 | 0 | 112.2 | T305 T307 K308 L309 Q313 L314 L315 L334 I423 T424 | T305-Q311 WeakPolarHBondContact OG1-CG 3.34Å; T305-Q311 PolarHBondContact OG1-NE2 3.31Å; T307-Q311 WeakPolarHBondContact O-CG 3.42Å; T307-Q311 PolarHBondContact O-N 3.4Å; K308-Q311 WeakPolarHBondContact O-CB 3.49Å; K308-Q311 PolarHBondContact O-N 3.45Å; L309-Q311 VanDerWaalsContact C-N 3.31Å; L309-Q311 PolarHBondContact O-N 2.94Å; Q311-Q313 VanDerWaalsContact C-N 3.34Å; Q311-L314 PolarHBondContact O-N 3.17Å; Q311-L315 WeakPolarHBondContact O-CG 3.32Å; Q311-L315 PolarHBondContact O-N 3.49Å; Q311-L334 HydrophobicContact CB-CD1 4.32Å; Q311-L334 HydrophobicContact CG-CD1 4.36Å; Q311-I423 HydrophobicContact CB-CG2 4.26Å; Q311-I423 HydrophobicContact CG-CG2 3.95Å; Q311-T424 PolarHBondContact NE2-O 3.2Å; Q311-T424 VanDerWaalsContact NE2-O 3.11Å |
| 312 | S | 85.1 | Confident | 89.6 | Confident | 45 Ų | 45 | 46.2 Ų | 46.2 | 32% | 0.315 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 179.8 | -47.4 | 0 | 0 | 0 | 0 | 109.8 | K308 L309 L310 L314 L315 E316 | K308-S312 PolarHBondContact O-N 3.02Å; K308-S312 PolarHBondContact O-OG 3.42Å; L309-S312 PolarHBondContact O-N 3.32Å; L310-S312 VanDerWaalsContact C-N 3.35Å; L310-S312 PolarHBondContact O-N 2.89Å; S312-L314 PolarHBondContact O-N 3.19Å; S312-L315 PolarHBondContact O-N 2.91Å; S312-E316 VanDerWaalsContact O-CB 3.26Å; S312-E316 WeakPolarHBondContact O-CB 3.46Å; S312-E316 WeakPolarHBondContact O-CG 3.42Å; S312-E316 PolarHBondContact O-N 3.26Å |
| 313 | Q | 86.3 | Confident | 89.5 | Confident | 86 Ų | 86 | 47.6 Ų | 47.6 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.6 | -45.5 | 175.6 | -175.6 | -177 | -24.4 | 0 | 0 | 112.6 | L309 L310 Q311 K317 D318 | L309-Q313 PolarHBondContact O-N 3.19Å; L310-Q313 PolarHBondContact O-N 3.24Å; Q311-Q313 VanDerWaalsContact C-N 3.34Å; Q313-K317 WeakPolarHBondContact O-CA 3.47Å; Q313-K317 WeakPolarHBondContact O-CB 3.43Å; Q313-K317 PolarHBondContact O-N 3.44Å; Q313-K317 VanDerWaalsContact O-N 3.1Å; Q313-D318 PolarHBondContact NE2-OD2 3.4Å; Q313-D318 PolarHBondContact O-N 3.36Å |
| 314 | L | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -63.4 | -44.8 | 179 | -66.8 | 170.7 | 0 | 0 | 0 | 111.8 | Y286 L287 T305 L310 Q311 S312 I319 I423 | Y286-L314 HydrophobicContact CE2-CD1 4.22Å; Y286-L314 HydrophobicContact CE2-CD2 3.99Å; Y286-L314 WeakPolarHBondContact OH-CD1 3.26Å; L287-L314 HydrophobicContact CD1-CD2 3.75Å; L287-L314 HydrophobicContact CD2-CD2 4.38Å; L287-L314 HydrophobicContact CG-CD2 4.17Å; T305-L314 HydrophobicContact CG2-CD1 3.84Å; L310-L314 HydrophobicContact CD1-CG 4.36Å; L310-L314 HydrophobicContact CG-CD1 4.28Å; L310-L314 HydrophobicContact CG-CG 4.45Å; L310-L314 VanDerWaalsContact O-CG 3.26Å; L310-L314 WeakPolarHBondContact O-CG 3.28Å; L310-L314 PolarHBondContact O-N 3.07Å; Q311-L314 PolarHBondContact O-N 3.17Å; S312-L314 PolarHBondContact O-N 3.19Å; L314-I319 VanDerWaalsContact O-CB 3.3Å; L314-I319 WeakPolarHBondContact O-CB 3.36Å; L314-I319 VanDerWaalsContact O-CG1 3.24Å; L314-I319 WeakPolarHBondContact O-CG1 3.32Å; L314-I319 PolarHBondContact O-N 3.3Å; L314-I423 HydrophobicContact CB-CD1 3.72Å; L314-I423 HydrophobicContact CD1-CD1 4.07Å |
| 315 | L | 91.6 | Very high | 89 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 20% | 0.199 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -78.2 | -39.7 | -173.8 | -71.4 | 167.2 | 0 | 0 | 0 | 113.8 | Q311 S312 P320 A332 L334 I423 | Q311-L315 WeakPolarHBondContact O-CG 3.32Å; Q311-L315 PolarHBondContact O-N 3.49Å; S312-L315 PolarHBondContact O-N 2.91Å; L315-P320 WeakPolarHBondContact O-CD 3.21Å; L315-P320 WeakPolarHBondContact O-CG 3.29Å; L315-A332 HydrophobicContact CD2-CB 4.1Å; L315-L334 HydrophobicContact CD1-CB 3.63Å; L315-L334 HydrophobicContact CD1-CD1 4.36Å; L315-L334 HydrophobicContact CD1-CD2 4.42Å; L315-L334 HydrophobicContact CD1-CG 4.36Å; L315-I423 HydrophobicContact CD2-CD1 3.74Å; L315-I423 HydrophobicContact CD2-CG1 4.35Å; L315-I423 HydrophobicContact CG-CD1 3.87Å |
| 316 | E | 89.4 | Confident | 88.9 | Confident | 152 Ų | 152 | 56.3 Ų | 56.3 | 71% | 0.71 | 29% | 0.289 | S | S | * | . | I | π-helix | trans | -94.4 | -24.4 | -171.5 | -62.4 | 173.2 | -177.4 | 0 | 0 | 112.5 | S312 | S312-E316 VanDerWaalsContact O-CB 3.26Å; S312-E316 WeakPolarHBondContact O-CB 3.46Å; S312-E316 WeakPolarHBondContact O-CG 3.42Å; S312-E316 PolarHBondContact O-N 3.26Å |
| 317 | K | 89.3 | Confident | 89.1 | Confident | 138 Ų | 138 | 61.7 Ų | 61.7 | 60% | 0.6 | 32% | 0.318 | S | S | * | . | I | π-helix | trans | -119.9 | -63.5 | -176 | -175.3 | -178.4 | 178.4 | 178.2 | 0 | 112.6 | Q313 A321 | Q313-K317 WeakPolarHBondContact O-CA 3.47Å; Q313-K317 WeakPolarHBondContact O-CB 3.43Å; Q313-K317 PolarHBondContact O-N 3.44Å; Q313-K317 VanDerWaalsContact O-N 3.1Å; K317-A321 WeakPolarHBondContact O-CB 3.5Å; K317-A321 PolarHBondContact O-N 3.01Å |
| 318 | D | 92.1 | Very high | 89.5 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -69.3 | -45.6 | -164.7 | -60.6 | -22.5 | 0 | 0 | 0 | 112.1 | L287 Q313 M322 | L287-D318 HydrophobicContact CD1-CB 3.88Å; Q313-D318 PolarHBondContact NE2-OD2 3.4Å; Q313-D318 PolarHBondContact O-N 3.36Å; D318-M322 WeakPolarHBondContact O-CB 3.25Å; D318-M322 VanDerWaalsContact O-CG 3.32Å; D318-M322 WeakPolarHBondContact O-CG 3.36Å; D318-M322 PolarHBondContact O-N 2.9Å |
| 319 | I | 94.4 | Very high | 90 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.4 | -45 | 179.1 | -67.5 | 169.3 | 0 | 0 | 0 | 112.3 | L287 L314 A321 M322 N323 I330 A332 I423 | L287-I319 HydrophobicContact CD1-CG1 3.99Å; L287-I319 HydrophobicContact CD2-CD1 3.83Å; L287-I319 HydrophobicContact CD2-CG1 3.84Å; L314-I319 VanDerWaalsContact O-CB 3.3Å; L314-I319 WeakPolarHBondContact O-CB 3.36Å; L314-I319 VanDerWaalsContact O-CG1 3.24Å; L314-I319 WeakPolarHBondContact O-CG1 3.32Å; L314-I319 PolarHBondContact O-N 3.3Å; I319-A321 PolarHBondContact O-N 2.67Å; I319-M322 PolarHBondContact O-N 3Å; I319-N323 PolarHBondContact O-N 3.47Å; I319-I330 HydrophobicContact CG2-CD1 4.14Å; I319-I330 HydrophobicContact CG2-CG1 4.12Å; I319-A332 HydrophobicContact CD1-CB 3.4Å; I319-A332 VanDerWaalsContact CD1-CB 3.4Å; I319-A332 HydrophobicContact CG1-CB 4.5Å; I319-A332 HydrophobicContact CG2-CB 3.97Å; I319-I423 HydrophobicContact CD1-CD1 3.86Å |
| 320 | P | 93.9 | Very high | 90.8 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.1 | -45.4 | 172 | -29.9 | 38.3 | 0 | 0 | 0 | 113.1 | L315 M322 N323 E324 | L315-P320 WeakPolarHBondContact O-CD 3.21Å; L315-P320 WeakPolarHBondContact O-CG 3.29Å; P320-M322 VanDerWaalsContact C-N 3.34Å; P320-M322 PolarHBondContact O-N 3.3Å; P320-N323 WeakPolarHBondContact O-CB 3.4Å; P320-N323 PolarHBondContact O-N 3.19Å; P320-E324 PolarHBondContact O-N 2.76Å |
| 321 | A | 93 | Very high | 91.2 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 26% | 0.256 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L247 K317 I319 E324 A325 | L247-A321 HydrophobicContact CD2-CB 3.65Å; K317-A321 WeakPolarHBondContact O-CB 3.5Å; K317-A321 PolarHBondContact O-N 3.01Å; I319-A321 PolarHBondContact O-N 2.67Å; A321-E324 PolarHBondContact O-N 3.02Å; A321-A325 WeakPolarHBondContact O-CB 3.29Å; A321-A325 PolarHBondContact O-N 3.32Å |
| 322 | M | 93.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 173 | -80.5 | -178.9 | 50.7 | 0 | 0 | 112.9 | L247 L284 L287 L288 L291 D318 I319 P320 E324 L326 | L247-M322 HydrophobicContact CD1-CG 4.37Å; L284-M322 HydrophobicContact CD1-CG 4.09Å; L284-M322 HydrophobicContact CD1-SD 3.65Å; L287-M322 HydrophobicContact CB-CE 4.17Å; L287-M322 HydrophobicContact CB-SD 3.75Å; L287-M322 HydrophobicContact CD1-SD 3.93Å; L288-M322 HydrophobicContact CD2-CE 3.59Å; L288-M322 HydrophobicContact CD2-SD 4.48Å; L288-M322 HydrophobicContact CG-CE 4.04Å; L291-M322 HydrophobicContact CD2-CE 3.68Å; D318-M322 WeakPolarHBondContact O-CB 3.25Å; D318-M322 VanDerWaalsContact O-CG 3.32Å; D318-M322 WeakPolarHBondContact O-CG 3.36Å; D318-M322 PolarHBondContact O-N 2.9Å; I319-M322 PolarHBondContact O-N 3Å; P320-M322 VanDerWaalsContact C-N 3.34Å; P320-M322 PolarHBondContact O-N 3.3Å; M322-E324 VanDerWaalsContact C-N 3.34Å; M322-L326 HydrophobicContact CE-CD1 4.47Å; M322-L326 VanDerWaalsContact O-CB 3.25Å; M322-L326 WeakPolarHBondContact O-CB 3.49Å; M322-L326 WeakPolarHBondContact O-CG 3.4Å; M322-L326 PolarHBondContact O-N 3.19Å |
| 323 | N | 93.2 | Very high | 91.8 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 176 | -91.4 | -33.6 | 0 | 0 | 0 | 111 | I319 P320 N327 F328 I330 | I319-N323 PolarHBondContact O-N 3.47Å; P320-N323 WeakPolarHBondContact O-CB 3.4Å; P320-N323 PolarHBondContact O-N 3.19Å; N323-N327 CarbonylContact O-C 3.51Å; N323-N327 VanDerWaalsContact O-CA 3.31Å; N323-N327 WeakPolarHBondContact O-CA 3.29Å; N323-N327 PolarHBondContact O-N 3.19Å; N323-F328 WeakPolarHBondContact CB-O 3.46Å; N323-F328 PolarHBondContact O-N 2.56Å; N323-F328 PolarHBondContact OD1-O 3.2Å; N323-I330 PolarHBondContact ND2-O 2.64Å; N323-I330 WeakPolarHBondContact OD1-CG1 3.49Å; N323-I330 PolarHBondContact OD1-N 3.02Å |
| 324 | E | 92.7 | Very high | 92 | Very high | 168 Ų | 168 | 50.1 Ų | 50.1 | 79% | 0.785 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.6 | -53.5 | 177.5 | -174.9 | 174.5 | -170.2 | 0 | 0 | 111.5 | P320 A321 M322 L326 N327 | P320-E324 PolarHBondContact O-N 2.76Å; A321-E324 PolarHBondContact O-N 3.02Å; M322-E324 VanDerWaalsContact C-N 3.34Å; E324-L326 VanDerWaalsContact C-N 3.26Å; E324-L326 PolarHBondContact O-N 3.38Å; E324-N327 PolarHBondContact O-N 2.94Å; E324-N327 VanDerWaalsContact O-N 3.11Å |
| 325 | A | 90.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.8 | -35.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q246 L247 A321 | Q246-A325 HydrophobicContact CB-CB 3.71Å; L247-A325 HydrophobicContact CD2-CB 3.88Å; L247-A325 HydrophobicContact CG-CB 3.93Å; A321-A325 WeakPolarHBondContact O-CB 3.29Å; A321-A325 PolarHBondContact O-N 3.32Å |
| 326 | L | 91.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -94.1 | -8.8 | -178.3 | -62.5 | 173.8 | 0 | 0 | 0 | 113.2 | L239 K242 A243 L288 L291 M322 E324 F328 | L239-L326 HydrophobicContact CD1-CD1 3.89Å; L239-L326 HydrophobicContact CD1-CD2 3.74Å; L239-L326 HydrophobicContact CD1-CG 4.38Å; L239-L326 HydrophobicContact CG-CD1 4.3Å; L239-L326 HydrophobicContact CG-CD2 4.45Å; K242-L326 HydrophobicContact CB-CD2 4.23Å; K242-L326 HydrophobicContact CD-CD2 3.86Å; K242-L326 HydrophobicContact CG-CD2 4Å; K242-L326 PolarHBondContact NZ-O 2.88Å; A243-L326 HydrophobicContact CB-CD2 4.13Å; L288-L326 HydrophobicContact CD2-CD1 4.37Å; L291-L326 HydrophobicContact CD2-CD1 3.83Å; M322-L326 HydrophobicContact CE-CD1 4.47Å; M322-L326 VanDerWaalsContact O-CB 3.25Å; M322-L326 WeakPolarHBondContact O-CB 3.49Å; M322-L326 WeakPolarHBondContact O-CG 3.4Å; M322-L326 PolarHBondContact O-N 3.19Å; E324-L326 VanDerWaalsContact C-N 3.26Å; E324-L326 PolarHBondContact O-N 3.38Å; L326-F328 VanDerWaalsContact C-N 3.29Å; L326-F328 HydrophobicContact CB-CB 4.45Å; L326-F328 HydrophobicContact CB-CD1 4.15Å; L326-F328 HydrophobicContact CB-CD2 3.72Å; L326-F328 HydrophobicContact CB-CE1 4.27Å; L326-F328 HydrophobicContact CB-CE2 3.88Å; L326-F328 HydrophobicContact CB-CG 3.85Å; L326-F328 HydrophobicContact CB-CZ 4.12Å; L326-F328 HydrophobicContact CD1-CD2 4.01Å; L326-F328 HydrophobicContact CD1-CE2 3.89Å; L326-F328 HydrophobicContact CG-CE2 4.44Å; L326-F328 WeakPolarHBondContact O-CD1 3.45Å |
| 327 | N | 91.1 | Very high | 91.5 | Very high | 144 Ų | 144 | 42.6 Ų | 42.6 | 77% | 0.77 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 44.4 | -168.2 | -168.7 | 34.6 | 0 | 0 | 0 | 112.2 | N323 E324 | N323-N327 CarbonylContact O-C 3.51Å; N323-N327 VanDerWaalsContact O-CA 3.31Å; N323-N327 WeakPolarHBondContact O-CA 3.29Å; N323-N327 PolarHBondContact O-N 3.19Å; E324-N327 PolarHBondContact O-N 2.94Å; E324-N327 VanDerWaalsContact O-N 3.11Å |
| 328 | F | 92.3 | Very high | 91.4 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | trans | -105.6 | 163.8 | 176.9 | -68.4 | -9.1 | 0 | 0 | 0 | 111 | T230 Y232 L239 L291 I295 N323 L326 I330 | T230-F328 HydrophobicContact CG2-CB 4.29Å; T230-F328 HydrophobicContact CG2-CD2 4.06Å; T230-F328 HydrophobicContact CG2-CG 4.07Å; Y232-F328 HydrophobicContact CD2-CZ 4.05Å; Y232-F328 AromaticContact CG-CZ 3.85Å; Y232-F328 HydrophobicContact CG-CZ 3.85Å; L239-F328 HydrophobicContact CD1-CE2 3.92Å; L239-F328 HydrophobicContact CD1-CZ 3.93Å; L291-F328 HydrophobicContact CD1-CD2 4.24Å; L291-F328 HydrophobicContact CD2-CD2 3.9Å; L291-F328 HydrophobicContact CD2-CE2 3.97Å; L291-F328 HydrophobicContact CG-CE2 4.45Å; I295-F328 HydrophobicContact CD1-CE2 3.8Å; I295-F328 HydrophobicContact CD1-CZ 4.23Å; N323-F328 WeakPolarHBondContact CB-O 3.46Å; N323-F328 PolarHBondContact O-N 2.56Å; N323-F328 PolarHBondContact OD1-O 3.2Å; L326-F328 VanDerWaalsContact C-N 3.29Å; L326-F328 HydrophobicContact CB-CB 4.45Å; L326-F328 HydrophobicContact CB-CD1 4.15Å; L326-F328 HydrophobicContact CB-CD2 3.72Å; L326-F328 HydrophobicContact CB-CE1 4.27Å; L326-F328 HydrophobicContact CB-CE2 3.88Å; L326-F328 HydrophobicContact CB-CG 3.85Å; L326-F328 HydrophobicContact CB-CZ 4.12Å; L326-F328 HydrophobicContact CD1-CD2 4.01Å; L326-F328 HydrophobicContact CD1-CE2 3.89Å; L326-F328 HydrophobicContact CG-CE2 4.44Å; L326-F328 WeakPolarHBondContact O-CD1 3.45Å; F328-I330 HydrophobicContact CB-CG2 4.48Å | ||
| 329 | K | 89.9 | Confident | 91.2 | Very high | 93 Ų | 93 | 42.8 Ų | 42.8 | 40% | 0.404 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -130.5 | 88.4 | 166.6 | -166.4 | 177.5 | -174.5 | 166.5 | 0 | 109.3 | P228 T229 | P228-K329 CarbonylContact C-O 3.55Å; P228-K329 WeakPolarHBondContact CA-O 3.47Å; T229-K329 PolarHBondContact N-O 3.27Å; T229-K329 PolarHBondContact O-N 3.46Å; T229-K329 VanDerWaalsContact OG1-CB 3.23Å; T229-K329 WeakPolarHBondContact OG1-CB 3.28Å |
| 330 | I | 92.1 | Very high | 91 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | trans | -101.4 | 145.4 | 169.9 | 76.7 | -170.8 | 0 | 0 | 0 | 110.3 | T230 L291 I319 N323 F328 Q420 I421 | T230-I330 HydrophobicContact CG2-CG2 3.56Å; L291-I330 HydrophobicContact CD1-CD1 3.87Å; L291-I330 HydrophobicContact CD1-CG2 3.61Å; I319-I330 HydrophobicContact CG2-CD1 4.14Å; I319-I330 HydrophobicContact CG2-CG1 4.12Å; N323-I330 PolarHBondContact ND2-O 2.64Å; N323-I330 WeakPolarHBondContact OD1-CG1 3.49Å; N323-I330 PolarHBondContact OD1-N 3.02Å; F328-I330 HydrophobicContact CB-CG2 4.48Å; I330-Q420 HydrophobicContact CB-CB 4.5Å; I330-Q420 HydrophobicContact CB-CG 4.46Å; I330-I421 HydrophobicContact CD1-CD1 4.19Å | ||
| 331 | N | 92.6 | Very high | 91 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | trans | -97.6 | 116.2 | 172.1 | -52.8 | -56.5 | 0 | 0 | 0 | 108.4 | K226 N418 Q420 I421 | K226-N331 PolarHBondContact O-ND2 3.19Å; N331-N418 WeakPolarHBondContact CB-O 3.4Å; N331-N418 PolarHBondContact ND2-O 2.65Å; N331-Q420 PolarHBondContact O-N 3.4Å; N331-Q420 PolarHBondContact O-OE1 3.07Å; N331-I421 PolarHBondContact O-N 2.8Å | ||
| 332 | A | 93.5 | Very high | 91.1 | Very high | 25 Ų | 25 | 40.2 Ų | 40.2 | 21% | 0.207 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L315 I319 I421 | L315-A332 HydrophobicContact CD2-CB 4.1Å; I319-A332 HydrophobicContact CD1-CB 3.4Å; I319-A332 VanDerWaalsContact CD1-CB 3.4Å; I319-A332 HydrophobicContact CG1-CB 4.5Å; I319-A332 HydrophobicContact CG2-CB 3.97Å; A332-I421 WeakPolarHBondContact CA-O 3.46Å; A332-I421 HydrophobicContact CB-CB 4.05Å |
| 333 | L | 91.6 | Very high | 91.3 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 19% | 0.188 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 142 | -175.9 | -168.3 | 70.5 | 0 | 0 | 0 | 112 | F225 I335 I412 I419 I421 I423 | F225-L333 HydrophobicContact CE2-CD2 4.18Å; F225-L333 HydrophobicContact CZ-CD1 4.33Å; F225-L333 HydrophobicContact CZ-CD2 4.34Å; L333-I335 HydrophobicContact CB-CD1 4.24Å; L333-I335 HydrophobicContact CD2-CD1 4.06Å; L333-I335 HydrophobicContact CG-CD1 4.29Å; L333-I335 PolarHBondContact O-N 3.48Å; L333-I412 HydrophobicContact CD2-CB 4.25Å; L333-I412 HydrophobicContact CD2-CD1 4.02Å; L333-I412 HydrophobicContact CD2-CG1 3.89Å; L333-I412 HydrophobicContact CD2-CG2 3.46Å; L333-I412 VanDerWaalsContact CD2-CG2 3.46Å; L333-I419 HydrophobicContact CB-CD1 4.16Å; L333-I419 HydrophobicContact CB-CG2 4.17Å; L333-I419 HydrophobicContact CD2-CD1 3.74Å; L333-I421 PolarHBondContact N-O 2.66Å; L333-I421 VanDerWaalsContact N-O 3.09Å; L333-I423 PolarHBondContact O-N 2.88Å |
| 334 | L | 91.2 | Very high | 91.4 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 119.3 | 167 | -167.1 | 51.9 | 0 | 0 | 0 | 109.9 | Q311 L315 K336 Y341 I423 | Q311-L334 HydrophobicContact CB-CD1 4.32Å; Q311-L334 HydrophobicContact CG-CD1 4.36Å; L315-L334 HydrophobicContact CD1-CB 3.63Å; L315-L334 HydrophobicContact CD1-CD1 4.36Å; L315-L334 HydrophobicContact CD1-CD2 4.42Å; L315-L334 HydrophobicContact CD1-CG 4.36Å; L334-K336 HydrophobicContact CD2-CD 4.44Å; L334-K336 HydrophobicContact CD2-CG 4.5Å; L334-K336 HydrophobicContact CG-CG 4.04Å; L334-Y341 PolarHBondContact O-OH 2.8Å; L334-I423 CarbonylContact C-O 3.59Å; L334-I423 WeakPolarHBondContact CA-O 3.14Å; L334-I423 HydrophobicContact CD1-CG2 4.27Å; L334-I423 WeakPolarHBondContact CD1-O 3.42Å |
| 335 | I | 90 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | trans | -100.5 | 125.9 | 175.1 | -50.5 | -51 | 0 | 0 | 0 | 108 | M302 L333 I412 I419 I423 I438 Y439 F442 | M302-I335 HydrophobicContact CE-CB 4.37Å; M302-I335 HydrophobicContact CE-CG1 4.18Å; L333-I335 HydrophobicContact CB-CD1 4.24Å; L333-I335 HydrophobicContact CD2-CD1 4.06Å; L333-I335 HydrophobicContact CG-CD1 4.29Å; L333-I335 PolarHBondContact O-N 3.48Å; I335-I412 HydrophobicContact CD1-CG2 4.29Å; I335-I419 HydrophobicContact CD1-CD1 4.47Å; I335-I423 PolarHBondContact N-O 3.39Å; I335-I438 HydrophobicContact CD1-CG2 3.93Å; I335-I438 HydrophobicContact CG1-CG2 4.26Å; I335-I438 HydrophobicContact CG2-CB 4.33Å; I335-I438 HydrophobicContact CG2-CG2 3.78Å; I335-Y439 HydrophobicContact CG2-CD2 4.14Å; I335-Y439 HydrophobicContact CG2-CE1 4.41Å; I335-Y439 HydrophobicContact CG2-CE2 3.57Å; I335-Y439 PolarHBondContact O-OH 2.88Å; I335-F442 HydrophobicContact CG1-CE2 4.47Å | ||
| 336 | K | 88.8 | Confident | 91.8 | Very high | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | trans | -131 | -176.5 | -177.9 | -57.1 | -170.6 | -173.8 | 179.7 | 0 | 110.8 | L334 D340 Y341 D378 Q380 N436 | L334-K336 HydrophobicContact CD2-CD 4.44Å; L334-K336 HydrophobicContact CD2-CG 4.5Å; L334-K336 HydrophobicContact CG-CG 4.04Å; K336-D340 HydrophobicContact CB-CB 3.76Å; K336-D340 WeakPolarHBondContact CB-OD2 3.44Å; K336-D340 HydrophobicContact CD-CB 3.73Å; K336-D340 HydrophobicContact CG-CB 4.43Å; K336-Y341 HydrophobicContact CB-CE2 3.93Å; K336-D378 WeakPolarHBondContact CE-OD2 3.36Å; K336-D378 IonicContact NZ-OD1 3.32Å; K336-D378 PolarHBondContact NZ-OD1 3.42Å; K336-D378 IonicContact NZ-OD2 3.96Å; K336-D378 PolarHBondContact NZ-OD2 3.43Å; K336-Q380 VanDerWaalsContact NZ-CD 3.26Å; K336-N436 PolarHBondContact O-ND2 3.03Å | ||
| 337 | S | 85.5 | Confident | 92.1 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 15% | 0.147 | 17% | 0.167 | C | C | . | . | trans | -68.7 | 159.7 | 170.9 | 80.4 | 0 | 0 | 0 | 0 | 111 | S339 D340 Y341 | S337-S339 PolarHBondContact O-N 3.2Å; S337-S339 PolarHBondContact OG-OG 2.98Å; S337-D340 WeakPolarHBondContact CB-OD2 3.36Å; S337-D340 PolarHBondContact N-OD2 3.09Å; S337-D340 VanDerWaalsContact N-OD2 3.1Å; S337-D340 WeakPolarHBondContact O-CB 3.25Å; S337-D340 PolarHBondContact O-N 3.23Å; S337-D340 PolarHBondContact OG-OD2 3.28Å; S337-Y341 VanDerWaalsContact O-CD2 3.28Å; S337-Y341 WeakPolarHBondContact O-CD2 3.38Å; S337-Y341 WeakPolarHBondContact O-CE2 3.36Å | ||
| 338 | K | 86.7 | Confident | 92.3 | Very high | 98 Ų | 98 | 24.4 Ų | 24.4 | 43% | 0.426 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -60.3 | -35.7 | 177.3 | 179.9 | 178.7 | 175.1 | -172.5 | 0 | 112.4 | D340 Y341 H407 Y409 | K338-D340 PolarHBondContact O-N 3.03Å; K338-Y341 PolarHBondContact O-N 3Å; K338-H407 PolarHBondContact O-CE1 3.19Å; K338-Y409 HydrophobicContact CB-CD1 4.47Å; K338-Y409 HydrophobicContact CB-CD2 4.01Å; K338-Y409 HydrophobicContact CB-CE2 4.21Å; K338-Y409 HydrophobicContact CB-CG 4.14Å; K338-Y409 HydrophobicContact CD-CD1 4.29Å; K338-Y409 HydrophobicContact CG-CD1 4.02Å; K338-Y409 HydrophobicContact CG-CD2 4.22Å; K338-Y409 HydrophobicContact CG-CG 3.83Å |
| 339 | S | 86.6 | Confident | 92.3 | Very high | 78 Ų | 78 | 26.5 Ų | 26.5 | 55% | 0.545 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -71.8 | -12.1 | 179.8 | 45.7 | 0 | 0 | 0 | 0 | 114.4 | S337 Y341 | S337-S339 PolarHBondContact O-N 3.2Å; S337-S339 PolarHBondContact OG-OG 2.98Å; S339-Y341 PolarHBondContact O-N 2.82Å |
| 340 | D | 90.4 | Very high | 92.5 | Very high | 26 Ų | 26 | 22.1 Ų | 22.1 | 14% | 0.139 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -76.5 | -11.5 | 173.1 | -69.4 | -72.9 | 0 | 0 | 0 | 112.8 | K336 S337 K338 I379 Q380 H428 | K336-D340 HydrophobicContact CB-CB 3.76Å; K336-D340 WeakPolarHBondContact CB-OD2 3.44Å; K336-D340 HydrophobicContact CD-CB 3.73Å; K336-D340 HydrophobicContact CG-CB 4.43Å; S337-D340 WeakPolarHBondContact CB-OD2 3.36Å; S337-D340 PolarHBondContact N-OD2 3.09Å; S337-D340 VanDerWaalsContact N-OD2 3.1Å; S337-D340 WeakPolarHBondContact O-CB 3.25Å; S337-D340 PolarHBondContact O-N 3.23Å; S337-D340 PolarHBondContact OG-OD2 3.28Å; K338-D340 PolarHBondContact O-N 3.03Å; D340-I379 WeakPolarHBondContact O-CB 3.34Å; D340-I379 PolarHBondContact O-N 2.82Å; D340-Q380 PolarHBondContact OD1-NE2 2.89Å; D340-H428 IonicContact OD2-CE1 2.68Å; D340-H428 PolarHBondContact OD2-CE1 2.7Å; D340-H428 IonicContact OD2-NE2 2.98Å |
| 341 | Y | 93.8 | Very high | 92.7 | Very high | 13 Ų | 13 | 23.2 Ų | 23.2 | 5% | 0.051 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -107.9 | 139.6 | -178 | -61 | -78 | 0 | 0 | 0 | 112.1 | L334 K336 S337 K338 S339 G377 H407 Y409 I412 | L334-Y341 PolarHBondContact O-OH 2.8Å; K336-Y341 HydrophobicContact CB-CE2 3.93Å; S337-Y341 VanDerWaalsContact O-CD2 3.28Å; S337-Y341 WeakPolarHBondContact O-CD2 3.38Å; S337-Y341 WeakPolarHBondContact O-CE2 3.36Å; K338-Y341 PolarHBondContact O-N 3Å; S339-Y341 PolarHBondContact O-N 2.82Å; Y341-G377 CarbonylContact C-O 3.49Å; Y341-G377 WeakPolarHBondContact CA-O 3.28Å; Y341-H407 PolarHBondContact O-CE1 3.34Å; Y341-Y409 AromaticContact CD2-CD2 3.87Å; Y341-Y409 HydrophobicContact CD2-CD2 3.87Å; Y341-Y409 HydrophobicContact CE2-CD2 4.14Å; Y341-I412 HydrophobicContact CD1-CD1 3.92Å; Y341-I412 HydrophobicContact CD2-CD1 4.44Å; Y341-I412 HydrophobicContact CE1-CD1 3.28Å; Y341-I412 HydrophobicContact CE2-CD1 3.87Å; Y341-I412 HydrophobicContact CG-CD1 4.45Å; Y341-I412 WeakPolarHBondContact OH-CD1 3.41Å |
| 342 | I | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -70.7 | 151.3 | -178.1 | -164.1 | 61.3 | 0 | 0 | 0 | 112.7 | L346 I347 W370 I371 G377 I379 F392 H407 Y408 | I342-L346 HydrophobicContact CD1-CD2 4.07Å; I342-I347 HydrophobicContact CD1-CD1 4.36Å; I342-I347 HydrophobicContact CD1-CG1 3.96Å; I342-I347 HydrophobicContact CG1-CD1 3.73Å; I342-I347 HydrophobicContact CG1-CG1 3.85Å; I342-W370 HydrophobicContact CB-CH2 3.86Å; I342-W370 HydrophobicContact CB-CZ3 3.9Å; I342-W370 HydrophobicContact CD1-CZ3 4.46Å; I342-W370 HydrophobicContact CG1-CH2 4.38Å; I342-W370 HydrophobicContact CG1-CZ3 3.9Å; I342-W370 HydrophobicContact CG2-CH2 3.81Å; I342-W370 HydrophobicContact CG2-CZ3 3.95Å; I342-I371 HydrophobicContact CG2-CD1 3.92Å; I342-G377 WeakPolarHBondContact CG2-O 3.28Å; I342-G377 PolarHBondContact N-O 3.05Å; I342-I379 HydrophobicContact CB-CG1 4.09Å; I342-I379 HydrophobicContact CD1-CD1 4.37Å; I342-I379 HydrophobicContact CD1-CG1 4.24Å; I342-F392 HydrophobicContact CD1-CE2 4.21Å; I342-F392 HydrophobicContact CD1-CZ 3.79Å; I342-H407 PolarHBondContact O-ND1 3.26Å; I342-Y408 HydrophobicContact CG2-CD2 3.49Å; I342-Y408 VanDerWaalsContact CG2-CD2 3.49Å; I342-Y408 HydrophobicContact CG2-CE2 3.82Å; I342-Y408 HydrophobicContact CG2-CG 4.03Å; I342-Y408 PolarHBondContact O-N 3.31Å | ||
| 343 | S | 96 | Very high | 92.3 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -115.1 | 134.4 | 167.3 | 147.3 | 0 | 0 | 0 | 0 | 109 | G345 L346 I347 Y399 D405 | S343-G345 VanDerWaalsContact C-N 3.27Å; S343-G345 PolarHBondContact O-N 2.97Å; S343-G345 PolarHBondContact OG-N 3.46Å; S343-L346 WeakPolarHBondContact O-CB 3.2Å; S343-L346 PolarHBondContact O-N 3.3Å; S343-L346 PolarHBondContact OG-N 3.42Å; S343-L346 VanDerWaalsContact OG-N 3.09Å; S343-I347 PolarHBondContact O-N 2.88Å; S343-Y399 WeakPolarHBondContact OG-CE1 3.32Å; S343-Y399 PolarHBondContact OG-OH 3.36Å; S343-D405 WeakPolarHBondContact CB-OD2 3.43Å; S343-D405 PolarHBondContact OG-OD1 3.1Å; S343-D405 PolarHBondContact OG-OD2 3.39Å |
| 344 | L | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -30.6 | 175.4 | -61.2 | -171.5 | 0 | 0 | 0 | 111.7 | F214 Y219 L346 I347 S348 I371 V406 Y408 | F214-L344 HydrophobicContact CB-CB 4.22Å; F214-L344 HydrophobicContact CB-CD1 3.51Å; F214-L344 HydrophobicContact CD1-CB 3.44Å; F214-L344 VanDerWaalsContact CD1-CB 3.44Å; F214-L344 HydrophobicContact CD1-CD1 4.36Å; F214-L344 HydrophobicContact CE1-CB 3.89Å; F214-L344 HydrophobicContact CG-CB 3.81Å; F214-L344 HydrophobicContact CG-CD1 3.95Å; Y219-L344 HydrophobicContact CD1-CD1 3.38Å; Y219-L344 HydrophobicContact CD2-CD1 4.06Å; Y219-L344 HydrophobicContact CE1-CD1 3.38Å; Y219-L344 HydrophobicContact CE2-CD1 4.11Å; Y219-L344 HydrophobicContact CG-CD1 3.73Å; Y219-L344 HydrophobicContact CG-CD2 4.47Å; L344-L346 VanDerWaalsContact C-N 3.32Å; L344-I347 HydrophobicContact CD2-CD1 4.11Å; L344-I347 PolarHBondContact O-N 3.16Å; L344-S348 WeakPolarHBondContact O-CB 3.34Å; L344-S348 PolarHBondContact O-N 3.49Å; L344-I371 HydrophobicContact CD2-CD1 3.68Å; L344-I371 HydrophobicContact CD2-CG1 3.49Å; L344-I371 VanDerWaalsContact CD2-CG1 3.49Å; L344-V406 HydrophobicContact CB-CB 4.23Å; L344-V406 HydrophobicContact CD1-CB 3.74Å; L344-V406 HydrophobicContact CD1-CG1 3.84Å; L344-V406 HydrophobicContact CD1-CG2 4.34Å; L344-V406 HydrophobicContact CG-CB 3.97Å; L344-V406 HydrophobicContact CG-CG1 4.19Å; L344-V406 PolarHBondContact N-O 3.1Å; L344-Y408 HydrophobicContact CD2-CE2 4.19Å |
| 345 | G | 95.7 | Very high | 91.6 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 9% | 0.093 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -35 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S343 S348 Q349 Y399 D405 | S343-G345 VanDerWaalsContact C-N 3.27Å; S343-G345 PolarHBondContact O-N 2.97Å; S343-G345 PolarHBondContact OG-N 3.46Å; G345-S348 PolarHBondContact O-N 3.49Å; G345-Q349 PolarHBondContact O-N 2.93Å; G345-Y399 VanDerWaalsContact C-CE2 3.49Å; G345-Y399 VanDerWaalsContact CA-OH 3.25Å; G345-Y399 WeakPolarHBondContact CA-OH 3.44Å; G345-D405 WeakPolarHBondContact CA-OD1 3.37Å; G345-D405 PolarHBondContact N-OD1 2.84Å |
| 346 | L | 95.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -46 | 172.3 | 172.9 | 59.3 | 0 | 0 | 0 | 111.2 | I342 S343 L344 S348 Q349 I350 F392 K395 I396 Y399 | I342-L346 HydrophobicContact CD1-CD2 4.07Å; S343-L346 WeakPolarHBondContact O-CB 3.2Å; S343-L346 PolarHBondContact O-N 3.3Å; S343-L346 PolarHBondContact OG-N 3.42Å; S343-L346 VanDerWaalsContact OG-N 3.09Å; L344-L346 VanDerWaalsContact C-N 3.32Å; L346-S348 VanDerWaalsContact C-N 3.3Å; L346-S348 PolarHBondContact O-N 2.99Å; L346-Q349 PolarHBondContact O-N 3.42Å; L346-I350 HydrophobicContact CD1-CD1 4.03Å; L346-I350 HydrophobicContact CD1-CG1 4.34Å; L346-I350 HydrophobicContact CG-CD1 4.06Å; L346-I350 WeakPolarHBondContact O-CG1 3.27Å; L346-I350 PolarHBondContact O-N 2.89Å; L346-F392 HydrophobicContact CD2-CZ 4.28Å; L346-K395 HydrophobicContact CD1-CB 3.96Å; L346-I396 HydrophobicContact CD2-CD1 4.49Å; L346-I396 HydrophobicContact CD2-CG1 3.55Å; L346-Y399 HydrophobicContact CB-CD1 4.12Å; L346-Y399 HydrophobicContact CB-CD2 4.09Å; L346-Y399 HydrophobicContact CB-CE1 4.1Å; L346-Y399 HydrophobicContact CB-CE2 4.12Å; L346-Y399 HydrophobicContact CB-CG 4.13Å; L346-Y399 HydrophobicContact CD1-CD2 4.08Å; L346-Y399 HydrophobicContact CD1-CG 4.02Å; L346-Y399 VanDerWaalsContact N-CZ 3.35Å; L346-Y399 PolarHBondContact N-OH 3.38Å |
| 347 | I | 96.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 174.7 | -62.9 | 175.2 | 0 | 0 | 0 | 110 | I217 I342 S343 L344 Q349 I350 L351 L367 I371 | I217-I347 HydrophobicContact CD1-CB 3.86Å; I217-I347 HydrophobicContact CD1-CG2 3.6Å; I217-I347 HydrophobicContact CG1-CG2 4.32Å; I342-I347 HydrophobicContact CD1-CD1 4.36Å; I342-I347 HydrophobicContact CD1-CG1 3.96Å; I342-I347 HydrophobicContact CG1-CD1 3.73Å; I342-I347 HydrophobicContact CG1-CG1 3.85Å; S343-I347 PolarHBondContact O-N 2.88Å; L344-I347 HydrophobicContact CD2-CD1 4.11Å; L344-I347 PolarHBondContact O-N 3.16Å; I347-Q349 VanDerWaalsContact C-N 3.32Å; I347-Q349 PolarHBondContact O-N 3.4Å; I347-I350 WeakPolarHBondContact O-CB 3.27Å; I347-I350 PolarHBondContact O-N 2.96Å; I347-I350 VanDerWaalsContact O-N 3.08Å; I347-L351 HydrophobicContact CG2-CD1 3.81Å; I347-L351 HydrophobicContact CG2-CG 4.08Å; I347-L351 WeakPolarHBondContact O-CG 3.41Å; I347-L351 PolarHBondContact O-N 3.03Å; I347-L367 HydrophobicContact CG1-CD2 4.38Å; I347-L367 HydrophobicContact CG2-CB 4.32Å; I347-I371 HydrophobicContact CD1-CB 4.17Å; I347-I371 HydrophobicContact CD1-CD1 3.83Å; I347-I371 HydrophobicContact CD1-CG1 3.82Å |
| 348 | S | 95.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -42.6 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 112.3 | E215 L344 G345 L346 I350 L351 K352 | E215-S348 WeakPolarHBondContact OE2-CB 3.39Å; E215-S348 PolarHBondContact OE2-OG 2.77Å; L344-S348 WeakPolarHBondContact O-CB 3.34Å; L344-S348 PolarHBondContact O-N 3.49Å; G345-S348 PolarHBondContact O-N 3.49Å; L346-S348 VanDerWaalsContact C-N 3.3Å; L346-S348 PolarHBondContact O-N 2.99Å; S348-I350 VanDerWaalsContact C-N 3.33Å; S348-I350 PolarHBondContact O-N 3.22Å; S348-L351 PolarHBondContact O-N 3.35Å; S348-K352 WeakPolarHBondContact O-CB 3.48Å; S348-K352 VanDerWaalsContact O-CG 3.28Å; S348-K352 WeakPolarHBondContact O-CG 3.14Å; S348-K352 PolarHBondContact O-N 3.2Å; S348-K352 VanDerWaalsContact OG-CE 3.31Å; S348-K352 WeakPolarHBondContact OG-CE 3.21Å; S348-K352 PolarHBondContact OG-NZ 3.31Å |
| 349 | Q | 92 | Very high | 92 | Very high | 65 Ų | 65 | 41.9 Ų | 41.9 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 174.4 | 175 | 175.2 | -33.8 | 0 | 0 | 112.3 | G345 L346 I347 D353 | G345-Q349 PolarHBondContact O-N 2.93Å; L346-Q349 PolarHBondContact O-N 3.42Å; I347-Q349 VanDerWaalsContact C-N 3.32Å; I347-Q349 PolarHBondContact O-N 3.4Å; Q349-D353 PolarHBondContact O-N 3.27Å |
| 350 | I | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 177.4 | -71.5 | 164.9 | 0 | 0 | 0 | 110.5 | L346 I347 S348 K352 D353 K364 L367 Y391 F392 K395 | L346-I350 HydrophobicContact CD1-CD1 4.03Å; L346-I350 HydrophobicContact CD1-CG1 4.34Å; L346-I350 HydrophobicContact CG-CD1 4.06Å; L346-I350 WeakPolarHBondContact O-CG1 3.27Å; L346-I350 PolarHBondContact O-N 2.89Å; I347-I350 WeakPolarHBondContact O-CB 3.27Å; I347-I350 PolarHBondContact O-N 2.96Å; I347-I350 VanDerWaalsContact O-N 3.08Å; S348-I350 VanDerWaalsContact C-N 3.33Å; S348-I350 PolarHBondContact O-N 3.22Å; I350-K352 VanDerWaalsContact C-N 3.29Å; I350-K352 PolarHBondContact O-N 3.12Å; I350-D353 WeakPolarHBondContact O-CB 3.47Å; I350-D353 PolarHBondContact O-N 3.41Å; I350-K364 HydrophobicContact CG2-CG 3.87Å; I350-K364 WeakPolarHBondContact O-CE 3.23Å; I350-L367 HydrophobicContact CD1-CD1 3.98Å; I350-L367 HydrophobicContact CG2-CD1 4.02Å; I350-Y391 HydrophobicContact CG1-CE1 4.32Å; I350-Y391 HydrophobicContact CG2-CE1 4.02Å; I350-F392 HydrophobicContact CD1-CD2 3.7Å; I350-F392 HydrophobicContact CD1-CE2 3.75Å; I350-K395 HydrophobicContact CD1-CB 4.26Å; I350-K395 HydrophobicContact CG1-CB 4.02Å; I350-K395 HydrophobicContact CG1-CG 3.99Å |
| 351 | L | 95.2 | Very high | 92.6 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -33.7 | -179.5 | -68.4 | 174.7 | 0 | 0 | 0 | 112.8 | L183 I217 I347 S348 D353 K364 L368 | L183-L351 HydrophobicContact CD1-CD2 4.46Å; I217-L351 HydrophobicContact CD1-CD1 4.03Å; I217-L351 HydrophobicContact CG1-CD1 3.73Å; I347-L351 HydrophobicContact CG2-CD1 3.81Å; I347-L351 HydrophobicContact CG2-CG 4.08Å; I347-L351 WeakPolarHBondContact O-CG 3.41Å; I347-L351 PolarHBondContact O-N 3.03Å; S348-L351 PolarHBondContact O-N 3.35Å; L351-D353 VanDerWaalsContact C-N 3.29Å; L351-D353 PolarHBondContact O-N 3.16Å; L351-K364 HydrophobicContact CD2-CB 3.84Å; L351-K364 HydrophobicContact CD2-CG 4.03Å; L351-L368 HydrophobicContact CD1-CD2 3.8Å; L351-L368 HydrophobicContact CD1-CG 4.38Å; L351-L368 HydrophobicContact CD2-CD1 4.03Å; L351-L368 HydrophobicContact CD2-CD2 4.32Å; L351-L368 HydrophobicContact CD2-CG 4.02Å |
| 352 | K | 91.4 | Very high | 92.7 | Very high | 129 Ų | 129 | 36.7 Ų | 36.7 | 56% | 0.561 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -6 | 177.8 | -71.4 | 169.7 | -175.9 | 160.5 | 0 | 114.4 | E215 S348 I350 | E215-K352 IonicContact OE1-NZ 2.64Å; E215-K352 PolarHBondContact OE1-NZ 2.69Å; E215-K352 IonicContact OE2-NZ 3.93Å; E215-K352 PolarHBondContact OE2-NZ 3.08Å; S348-K352 WeakPolarHBondContact O-CB 3.48Å; S348-K352 VanDerWaalsContact O-CG 3.28Å; S348-K352 WeakPolarHBondContact O-CG 3.14Å; S348-K352 PolarHBondContact O-N 3.2Å; S348-K352 VanDerWaalsContact OG-CE 3.31Å; S348-K352 WeakPolarHBondContact OG-CE 3.21Å; S348-K352 PolarHBondContact OG-NZ 3.31Å; I350-K352 VanDerWaalsContact C-N 3.29Å; I350-K352 PolarHBondContact O-N 3.12Å |
| 353 | D | 88 | Confident | 92.7 | Very high | 41 Ų | 41 | 36.7 Ų | 36.7 | 22% | 0.219 | 19% | 0.194 | C | C | . | . | trans | -76.8 | 124.1 | 176.8 | -170.2 | -28.3 | 0 | 0 | 0 | 110.4 | Q349 I350 L351 T355 K364 Y391 K395 | Q349-D353 PolarHBondContact O-N 3.27Å; I350-D353 WeakPolarHBondContact O-CB 3.47Å; I350-D353 PolarHBondContact O-N 3.41Å; L351-D353 VanDerWaalsContact C-N 3.29Å; L351-D353 PolarHBondContact O-N 3.16Å; D353-T355 PolarHBondContact O-N 2.67Å; D353-T355 VanDerWaalsContact O-N 3.17Å; D353-T355 PolarHBondContact OD1-N 2.84Å; D353-T355 VanDerWaalsContact OD1-N 3.11Å; D353-K364 PolarHBondContact O-NZ 2.95Å; D353-Y391 VanDerWaalsContact CB-OH 3.24Å; D353-Y391 WeakPolarHBondContact CB-OH 3.27Å; D353-Y391 PolarHBondContact OD2-OH 2.69Å; D353-K395 WeakPolarHBondContact OD2-CE 2.79Å; D353-K395 IonicContact OD2-NZ 3.7Å; D353-K395 PolarHBondContact OD2-NZ 2.98Å | ||
| 354 | D | 84.1 | Confident | 92.8 | Very high | 157 Ų | 157 | 36.9 Ų | 36.9 | 84% | 0.84 | 20% | 0.195 | S | C | * | . | trans | -79.4 | 11.9 | -175.8 | -65 | -40.5 | 0 | 0 | 0 | 114.6 | S356 | D354-S356 PolarHBondContact O-N 3.39Š| ||
| 355 | T | 83.8 | Confident | 92.9 | Very high | 43 Ų | 43 | 36.9 Ų | 36.9 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | trans | -57.6 | 130.1 | 176.8 | -175.9 | 0 | 0 | 0 | 0 | 113 | D353 N357 V360 N361 Y391 | D353-T355 PolarHBondContact O-N 2.67Å; D353-T355 VanDerWaalsContact O-N 3.17Å; D353-T355 PolarHBondContact OD1-N 2.84Å; D353-T355 VanDerWaalsContact OD1-N 3.11Å; T355-N357 VanDerWaalsContact C-N 3.26Å; T355-N357 WeakPolarHBondContact OG1-CB 3.27Å; T355-N357 PolarHBondContact OG1-N 3.45Å; T355-V360 HydrophobicContact CG2-CB 3.86Å; T355-V360 HydrophobicContact CG2-CG1 3.44Å; T355-V360 VanDerWaalsContact CG2-CG1 3.44Å; T355-V360 HydrophobicContact CG2-CG2 4.19Å; T355-N361 PolarHBondContact O-ND2 2.87Å; T355-Y391 HydrophobicContact CG2-CE2 4.27Å | ||
| 356 | S | 82.5 | Confident | 93 | Very high | 87 Ų | 87 | 36.5 Ų | 36.5 | 61% | 0.608 | 19% | 0.191 | S | C | * | . | trans | -86 | 7.5 | 173.4 | 58 | 0 | 0 | 0 | 0 | 113.2 | D354 Y358 | D354-S356 PolarHBondContact O-N 3.39Å; S356-Y358 PolarHBondContact O-N 2.99Å | ||
| 357 | N | 90.5 | Very high | 93.1 | Very high | 78 Ų | 78 | 36.2 Ų | 36.2 | 42% | 0.417 | 19% | 0.189 | S | C | . | . | trans | -62.9 | 126.9 | -179 | -177.4 | -73.1 | 0 | 0 | 0 | 110.9 | T355 E359 V360 N361 | T355-N357 VanDerWaalsContact C-N 3.26Å; T355-N357 WeakPolarHBondContact OG1-CB 3.27Å; T355-N357 PolarHBondContact OG1-N 3.45Å; N357-E359 PolarHBondContact O-N 3.26Å; N357-E359 WeakPolarHBondContact OD1-CB 3.33Å; N357-E359 PolarHBondContact OD1-N 3.05Å; N357-V360 HydrophobicContact CB-CB 4.11Å; N357-V360 HydrophobicContact CB-CG2 3.84Å; N357-V360 PolarHBondContact O-N 3.38Å; N357-V360 PolarHBondContact OD1-N 3.02Å; N357-V360 VanDerWaalsContact OD1-N 3.16Å; N357-N361 PolarHBondContact O-N 2.88Å; N357-N361 PolarHBondContact O-ND2 3.14Å | ||
| 358 | Y | 92.3 | Very high | 93.2 | Very high | 45 Ų | 45 | 36.2 Ų | 36.2 | 18% | 0.176 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.4 | -50.5 | -179 | 167.3 | -102.4 | 0 | 0 | 0 | 113.1 | E120 L187 K188 S356 V360 N361 I362 | E120-Y358 HydrophobicContact CG-CE2 4.47Å; E120-Y358 VanDerWaalsContact CG-OH 3.22Å; E120-Y358 WeakPolarHBondContact CG-OH 3.4Å; E120-Y358 WeakPolarHBondContact OE1-CE2 3.46Å; E120-Y358 PolarHBondContact OE1-OH 2.87Å; L187-Y358 HydrophobicContact CD2-CD2 4.03Å; L187-Y358 HydrophobicContact CD2-CE2 3.81Å; K188-Y358 HydrophobicContact CD-CE2 4.48Å; K188-Y358 HydrophobicContact CG-CD2 4.18Å; K188-Y358 HydrophobicContact CG-CE2 4.11Å; S356-Y358 PolarHBondContact O-N 2.99Å; Y358-V360 VanDerWaalsContact C-N 3.29Å; Y358-V360 PolarHBondContact O-N 3.44Å; Y358-N361 PolarHBondContact O-N 3.45Å; Y358-N361 VanDerWaalsContact O-N 3.15Å; Y358-I362 HydrophobicContact CE1-CG1 4.34Å; Y358-I362 HydrophobicContact CE2-CD1 4.19Å; Y358-I362 HydrophobicContact CE2-CG1 4.02Å; Y358-I362 PolarHBondContact O-N 3.21Å |
| 359 | E | 92.8 | Very high | 93.3 | Very high | 58 Ų | 58 | 35.9 Ų | 35.9 | 27% | 0.271 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.2 | -36.4 | 179.9 | -67.7 | -64.3 | 159.5 | 0 | 0 | 111.9 | N357 I362 L363 Q388 | N357-E359 PolarHBondContact O-N 3.26Å; N357-E359 WeakPolarHBondContact OD1-CB 3.33Å; N357-E359 PolarHBondContact OD1-N 3.05Å; E359-I362 PolarHBondContact O-N 3.25Å; E359-L363 PolarHBondContact O-N 2.83Å; E359-Q388 HydrophobicContact CB-CG 4.02Å; E359-Q388 WeakPolarHBondContact OE2-CG 3.43Å; E359-Q388 PolarHBondContact OE2-NE2 3.34Å |
| 360 | V | 94.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.5 | -37.2 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | T355 N357 Y358 L363 K364 Y391 | T355-V360 HydrophobicContact CG2-CB 3.86Å; T355-V360 HydrophobicContact CG2-CG1 3.44Å; T355-V360 VanDerWaalsContact CG2-CG1 3.44Å; T355-V360 HydrophobicContact CG2-CG2 4.19Å; N357-V360 HydrophobicContact CB-CB 4.11Å; N357-V360 HydrophobicContact CB-CG2 3.84Å; N357-V360 PolarHBondContact O-N 3.38Å; N357-V360 PolarHBondContact OD1-N 3.02Å; N357-V360 VanDerWaalsContact OD1-N 3.16Å; Y358-V360 VanDerWaalsContact C-N 3.29Å; Y358-V360 PolarHBondContact O-N 3.44Å; V360-L363 WeakPolarHBondContact O-CB 3.47Å; V360-L363 PolarHBondContact O-N 2.87Å; V360-K364 HydrophobicContact CG1-CD 4.46Å; V360-K364 HydrophobicContact CG1-CG 4.47Å; V360-K364 VanDerWaalsContact O-CG 3.31Å; V360-K364 WeakPolarHBondContact O-CG 3.35Å; V360-K364 PolarHBondContact O-N 2.9Å; V360-Y391 HydrophobicContact CG1-CD1 3.95Å; V360-Y391 HydrophobicContact CG1-CD2 4.38Å; V360-Y391 HydrophobicContact CG1-CE1 3.55Å; V360-Y391 HydrophobicContact CG1-CE2 4.02Å; V360-Y391 HydrophobicContact CG1-CG 4.34Å; V360-Y391 HydrophobicContact CG2-CD1 4.01Å; V360-Y391 HydrophobicContact CG2-CD2 3.59Å; V360-Y391 HydrophobicContact CG2-CE1 4.34Å; V360-Y391 HydrophobicContact CG2-CE2 3.96Å; V360-Y391 HydrophobicContact CG2-CG 3.6Å |
| 361 | N | 95.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.7 | -39.7 | 176.2 | -76.3 | -72.7 | 0 | 0 | 0 | 111.7 | L183 Q186 T355 N357 Y358 L363 K364 M365 | L183-N361 WeakPolarHBondContact CD2-OD1 3.26Å; Q186-N361 HydrophobicContact CB-CB 4.44Å; T355-N361 PolarHBondContact O-ND2 2.87Å; N357-N361 PolarHBondContact O-N 2.88Å; N357-N361 PolarHBondContact O-ND2 3.14Å; Y358-N361 PolarHBondContact O-N 3.45Å; Y358-N361 VanDerWaalsContact O-N 3.15Å; N361-L363 PolarHBondContact O-N 3.31Å; N361-K364 PolarHBondContact O-N 3.39Å; N361-M365 VanDerWaalsContact O-CG 3.28Å; N361-M365 WeakPolarHBondContact O-CG 3.37Å; N361-M365 PolarHBondContact O-N 2.96Å |
| 362 | I | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57 | -50 | 169.4 | -65 | -66.6 | 0 | 0 | 0 | 110.5 | K123 I124 L187 Y358 E359 K364 M365 Q366 | K123-I362 HydrophobicContact CB-CG2 4.25Å; I124-I362 HydrophobicContact CD1-CD1 3.76Å; I124-I362 HydrophobicContact CG1-CD1 3.89Å; L187-I362 HydrophobicContact CD2-CD1 3.5Å; L187-I362 HydrophobicContact CD2-CG1 4.07Å; Y358-I362 HydrophobicContact CE1-CG1 4.34Å; Y358-I362 HydrophobicContact CE2-CD1 4.19Å; Y358-I362 HydrophobicContact CE2-CG1 4.02Å; Y358-I362 PolarHBondContact O-N 3.21Å; E359-I362 PolarHBondContact O-N 3.25Å; I362-K364 VanDerWaalsContact C-N 3.34Å; I362-K364 PolarHBondContact O-N 2.8Å; I362-M365 PolarHBondContact O-N 3.06Å; I362-M365 VanDerWaalsContact O-N 3.13Å; I362-Q366 HydrophobicContact CG2-CG 4.19Å; I362-Q366 WeakPolarHBondContact O-CG 3.39Å; I362-Q366 PolarHBondContact O-N 2.77Å |
| 363 | L | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57 | -44.4 | 177.9 | 171.2 | 65.7 | 0 | 0 | 0 | 112.5 | E359 V360 N361 M365 Q366 L367 L384 Q388 Y391 F392 | E359-L363 PolarHBondContact O-N 2.83Å; V360-L363 WeakPolarHBondContact O-CB 3.47Å; V360-L363 PolarHBondContact O-N 2.87Å; N361-L363 PolarHBondContact O-N 3.31Å; L363-M365 VanDerWaalsContact C-N 3.31Å; L363-M365 PolarHBondContact O-N 2.97Å; L363-Q366 WeakPolarHBondContact O-CB 3.21Å; L363-Q366 PolarHBondContact O-N 3.29Å; L363-L367 HydrophobicContact CD1-CD1 4.11Å; L363-L367 HydrophobicContact CD1-CG 4.06Å; L363-L367 HydrophobicContact CG-CD1 4.08Å; L363-L367 HydrophobicContact CG-CG 4.45Å; L363-L367 VanDerWaalsContact O-CG 3.29Å; L363-L367 WeakPolarHBondContact O-CG 3.48Å; L363-L367 PolarHBondContact O-N 2.95Å; L363-L384 HydrophobicContact CD1-CD1 3.73Å; L363-L384 HydrophobicContact CD1-CD2 3.62Å; L363-L384 HydrophobicContact CD1-CG 4.34Å; L363-Q388 HydrophobicContact CB-CB 4.36Å; L363-Q388 HydrophobicContact CB-CG 4.36Å; L363-Y391 HydrophobicContact CD2-CD1 3.7Å; L363-Y391 HydrophobicContact CD2-CE1 4.29Å; L363-F392 HydrophobicContact CD1-CD2 4.28Å; L363-F392 HydrophobicContact CD2-CB 4.01Å; L363-F392 HydrophobicContact CD2-CD2 4.19Å |
| 364 | K | 97.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 177 | -74.1 | 172.2 | 179.1 | 176.5 | 0 | 111.3 | L183 I350 L351 D353 V360 N361 I362 L367 L368 | L183-K364 HydrophobicContact CD1-CB 3.74Å; L183-K364 HydrophobicContact CD2-CB 4.19Å; L183-K364 HydrophobicContact CD2-CD 3.61Å; I350-K364 HydrophobicContact CG2-CG 3.87Å; I350-K364 WeakPolarHBondContact O-CE 3.23Å; L351-K364 HydrophobicContact CD2-CB 3.84Å; L351-K364 HydrophobicContact CD2-CG 4.03Å; D353-K364 PolarHBondContact O-NZ 2.95Å; V360-K364 HydrophobicContact CG1-CD 4.46Å; V360-K364 HydrophobicContact CG1-CG 4.47Å; V360-K364 VanDerWaalsContact O-CG 3.31Å; V360-K364 WeakPolarHBondContact O-CG 3.35Å; V360-K364 PolarHBondContact O-N 2.9Å; N361-K364 PolarHBondContact O-N 3.39Å; I362-K364 VanDerWaalsContact C-N 3.34Å; I362-K364 PolarHBondContact O-N 2.8Å; K364-L367 PolarHBondContact O-N 3.45Å; K364-L368 WeakPolarHBondContact O-CG 3.46Å; K364-L368 PolarHBondContact O-N 3.41Å; K364-L368 VanDerWaalsContact O-N 3.09Å |
| 365 | M | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 178.1 | -64.7 | 174.8 | 79 | 0 | 0 | 111.7 | I124 L180 L183 L187 F195 N361 I362 L363 L368 I369 | I124-M365 HydrophobicContact CD1-CE 3.7Å; I124-M365 HydrophobicContact CD1-SD 3.85Å; I124-M365 HydrophobicContact CG1-CB 4.13Å; I124-M365 HydrophobicContact CG1-CE 4.41Å; I124-M365 HydrophobicContact CG1-SD 4.38Å; I124-M365 HydrophobicContact CG2-CB 3.94Å; I124-M365 HydrophobicContact CG2-CE 4.12Å; L180-M365 HydrophobicContact CB-CE 4.19Å; L180-M365 HydrophobicContact CD2-CB 3.65Å; L180-M365 HydrophobicContact CD2-CE 3.92Å; L180-M365 HydrophobicContact CD2-CG 3.77Å; L183-M365 HydrophobicContact CB-CG 3.69Å; L183-M365 HydrophobicContact CB-SD 3.96Å; L183-M365 HydrophobicContact CD1-CG 3.76Å; L183-M365 HydrophobicContact CG-CG 4.38Å; L187-M365 HydrophobicContact CD1-CE 4.28Å; L187-M365 HydrophobicContact CD1-SD 4.01Å; L187-M365 HydrophobicContact CD2-SD 4.45Å; F195-M365 HydrophobicContact CD2-CE 4.39Å; F195-M365 HydrophobicContact CE2-CE 3.52Å; F195-M365 HydrophobicContact CZ-CE 4.04Å; N361-M365 VanDerWaalsContact O-CG 3.28Å; N361-M365 WeakPolarHBondContact O-CG 3.37Å; N361-M365 PolarHBondContact O-N 2.96Å; I362-M365 PolarHBondContact O-N 3.06Å; I362-M365 VanDerWaalsContact O-N 3.13Å; L363-M365 VanDerWaalsContact C-N 3.31Å; L363-M365 PolarHBondContact O-N 2.97Å; M365-L368 PolarHBondContact O-N 3.42Å; M365-I369 PolarHBondContact O-N 2.98Å; M365-I369 VanDerWaalsContact O-N 3.12Å |
| 366 | Q | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.5 | -47.3 | 173.2 | -73.3 | -179 | -45.9 | 0 | 0 | 111.9 | K123 P127 I362 L363 L368 I369 W370 | K123-Q366 VanDerWaalsContact O-CG 3.24Å; K123-Q366 WeakPolarHBondContact O-CG 3.33Å; K123-Q366 PolarHBondContact O-NE2 3.18Å; P127-Q366 HydrophobicContact CB-CB 3.85Å; P127-Q366 HydrophobicContact CB-CG 3.97Å; I362-Q366 HydrophobicContact CG2-CG 4.19Å; I362-Q366 WeakPolarHBondContact O-CG 3.39Å; I362-Q366 PolarHBondContact O-N 2.77Å; L363-Q366 WeakPolarHBondContact O-CB 3.21Å; L363-Q366 PolarHBondContact O-N 3.29Å; Q366-L368 VanDerWaalsContact C-N 3.33Å; Q366-L368 PolarHBondContact O-N 3.26Å; Q366-I369 PolarHBondContact O-N 3.43Å; Q366-W370 WeakPolarHBondContact O-CB 3.28Å; Q366-W370 PolarHBondContact O-N 3.49Å |
| 367 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 178.2 | -71.9 | 170.4 | 0 | 0 | 0 | 112 | I347 I350 L363 K364 I369 W370 I371 L382 F392 | I347-L367 HydrophobicContact CG1-CD2 4.38Å; I347-L367 HydrophobicContact CG2-CB 4.32Å; I350-L367 HydrophobicContact CD1-CD1 3.98Å; I350-L367 HydrophobicContact CG2-CD1 4.02Å; L363-L367 HydrophobicContact CD1-CD1 4.11Å; L363-L367 HydrophobicContact CD1-CG 4.06Å; L363-L367 HydrophobicContact CG-CD1 4.08Å; L363-L367 HydrophobicContact CG-CG 4.45Å; L363-L367 VanDerWaalsContact O-CG 3.29Å; L363-L367 WeakPolarHBondContact O-CG 3.48Å; L363-L367 PolarHBondContact O-N 2.95Å; K364-L367 PolarHBondContact O-N 3.45Å; L367-I369 VanDerWaalsContact C-N 3.32Å; L367-I369 PolarHBondContact O-N 3.35Å; L367-W370 HydrophobicContact CD2-CE3 4.05Å; L367-W370 HydrophobicContact CD2-CZ3 4.26Å; L367-I371 VanDerWaalsContact O-CB 3.26Å; L367-I371 WeakPolarHBondContact O-CB 3.46Å; L367-I371 VanDerWaalsContact O-CG2 3.27Å; L367-I371 WeakPolarHBondContact O-CG2 3.43Å; L367-I371 PolarHBondContact O-N 3.04Å; L367-L382 HydrophobicContact CD2-CD1 3.67Å; L367-F392 HydrophobicContact CD1-CE2 4.29Å; L367-F392 HydrophobicContact CD2-CE2 4.11Å |
| 368 | L | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.5 | -36.5 | 178.1 | -77 | 169.8 | 0 | 0 | 0 | 112.8 | T176 Q179 L180 L183 L351 K364 M365 Q366 T372 | T176-L368 HydrophobicContact CG2-CB 4.25Å; Q179-L368 HydrophobicContact CB-CD1 3.62Å; L180-L368 HydrophobicContact CD2-CB 4.35Å; L180-L368 HydrophobicContact CD2-CD1 4.25Å; L183-L368 HydrophobicContact CD1-CD1 3.62Å; L351-L368 HydrophobicContact CD1-CD2 3.8Å; L351-L368 HydrophobicContact CD1-CG 4.38Å; L351-L368 HydrophobicContact CD2-CD1 4.03Å; L351-L368 HydrophobicContact CD2-CD2 4.32Å; L351-L368 HydrophobicContact CD2-CG 4.02Å; K364-L368 WeakPolarHBondContact O-CG 3.46Å; K364-L368 PolarHBondContact O-N 3.41Å; K364-L368 VanDerWaalsContact O-N 3.09Å; M365-L368 PolarHBondContact O-N 3.42Å; Q366-L368 VanDerWaalsContact C-N 3.33Å; Q366-L368 PolarHBondContact O-N 3.26Å; L368-T372 WeakPolarHBondContact O-CG2 3.17Å |
| 369 | I | 98 | Very high | 96 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -78.6 | -53 | 177 | -70.6 | 166.8 | 0 | 0 | 0 | 110 | I124 P127 F169 L172 L180 M365 Q366 L367 I371 T372 | I124-I369 HydrophobicContact CG2-CD1 3.41Å; I124-I369 VanDerWaalsContact CG2-CD1 3.41Å; I124-I369 WeakPolarHBondContact O-CD1 3.33Å; P127-I369 HydrophobicContact CG-CG2 4.2Å; F169-I369 HydrophobicContact CD1-CD1 4.17Å; F169-I369 HydrophobicContact CE1-CD1 3.65Å; L172-I369 HydrophobicContact CD1-CD1 4.45Å; L172-I369 HydrophobicContact CD1-CG1 4.02Å; L180-I369 HydrophobicContact CD1-CD1 4.08Å; L180-I369 HydrophobicContact CD1-CG1 4.16Å; L180-I369 HydrophobicContact CD2-CD1 4.31Å; L180-I369 HydrophobicContact CD2-CG1 4.43Å; M365-I369 PolarHBondContact O-N 2.98Å; M365-I369 VanDerWaalsContact O-N 3.12Å; Q366-I369 PolarHBondContact O-N 3.43Å; L367-I369 VanDerWaalsContact C-N 3.32Å; L367-I369 PolarHBondContact O-N 3.35Å; I369-I371 VanDerWaalsContact C-N 3.26Å; I369-I371 PolarHBondContact O-N 3.15Å; I369-T372 WeakPolarHBondContact O-CB 3.47Å; I369-T372 PolarHBondContact O-N 3.11Å; I369-T372 PolarHBondContact O-OG1 3.46Å |
| 370 | W | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -53.9 | -41.7 | -177.4 | 175 | 60.8 | 0 | 0 | 0 | 112.7 | P127 I342 Q366 L367 T372 E373 T374 D378 E381 L382 | P127-W370 HydrophobicContact CB-CB 4.32Å; P127-W370 HydrophobicContact CG-CB 3.81Å; I342-W370 HydrophobicContact CB-CH2 3.86Å; I342-W370 HydrophobicContact CB-CZ3 3.9Å; I342-W370 HydrophobicContact CD1-CZ3 4.46Å; I342-W370 HydrophobicContact CG1-CH2 4.38Å; I342-W370 HydrophobicContact CG1-CZ3 3.9Å; I342-W370 HydrophobicContact CG2-CH2 3.81Å; I342-W370 HydrophobicContact CG2-CZ3 3.95Å; Q366-W370 WeakPolarHBondContact O-CB 3.28Å; Q366-W370 PolarHBondContact O-N 3.49Å; L367-W370 HydrophobicContact CD2-CE3 4.05Å; L367-W370 HydrophobicContact CD2-CZ3 4.26Å; W370-T372 PolarHBondContact O-N 2.94Å; W370-E373 PolarHBondContact O-N 3.06Å; W370-T374 HydrophobicContact CD2-CG2 4.1Å; W370-T374 HydrophobicContact CH2-CG2 4.42Å; W370-T374 HydrophobicContact CZ2-CG2 3.87Å; W370-T374 WeakPolarHBondContact O-CG2 3.49Å; W370-T374 PolarHBondContact O-N 3.05Å; W370-D378 WeakPolarHBondContact CZ2-O 3.34Å; W370-E381 HydrophobicContact CZ2-CB 4.32Å; W370-E381 PolarHBondContact NE1-OE2 2.71Å; W370-L382 HydrophobicContact CB-CD2 3.67Å; W370-L382 HydrophobicContact CD2-CD1 4.19Å; W370-L382 HydrophobicContact CD2-CD2 3.58Å; W370-L382 HydrophobicContact CD2-CG 3.8Å; W370-L382 HydrophobicContact CE3-CD1 3.78Å; W370-L382 HydrophobicContact CE3-CD2 3.87Å; W370-L382 HydrophobicContact CE3-CG 3.93Å; W370-L382 HydrophobicContact CG-CD2 3.48Å; W370-L382 VanDerWaalsContact CG-CD2 3.48Å; W370-L382 HydrophobicContact CG-CG 4.18Å; W370-L382 HydrophobicContact CH2-CD1 4.38Å; W370-L382 HydrophobicContact CZ2-CG 4.49Å; W370-L382 HydrophobicContact CZ3-CD1 3.86Å; W370-L382 HydrophobicContact CZ3-CG 4.3Å |
| 371 | I | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -17 | -178.5 | -152.4 | 61.4 | 0 | 0 | 0 | 113.5 | I217 Y219 R220 I342 L344 I347 L367 I369 E373 T374 Y408 | I217-I371 HydrophobicContact CG2-CG2 3.83Å; Y219-I371 CarbonylContact C-O 3.59Å; Y219-I371 VanDerWaalsContact CA-O 3.27Å; Y219-I371 WeakPolarHBondContact CA-O 3.26Å; Y219-I371 WeakPolarHBondContact CB-O 3.5Å; R220-I371 PolarHBondContact N-O 3.1Å; I342-I371 HydrophobicContact CG2-CD1 3.92Å; L344-I371 HydrophobicContact CD2-CD1 3.68Å; L344-I371 HydrophobicContact CD2-CG1 3.49Å; L344-I371 VanDerWaalsContact CD2-CG1 3.49Å; I347-I371 HydrophobicContact CD1-CB 4.17Å; I347-I371 HydrophobicContact CD1-CD1 3.83Å; I347-I371 HydrophobicContact CD1-CG1 3.82Å; L367-I371 VanDerWaalsContact O-CB 3.26Å; L367-I371 WeakPolarHBondContact O-CB 3.46Å; L367-I371 VanDerWaalsContact O-CG2 3.27Å; L367-I371 WeakPolarHBondContact O-CG2 3.43Å; L367-I371 PolarHBondContact O-N 3.04Å; I369-I371 VanDerWaalsContact C-N 3.26Å; I369-I371 PolarHBondContact O-N 3.15Å; I371-E373 VanDerWaalsContact C-N 3.27Å; I371-T374 HydrophobicContact CD1-CG2 4.07Å; I371-Y408 HydrophobicContact CD1-CE2 3.76Å |
| 372 | T | 97.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 17 Ų | 17 | 4% | 0.037 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -7.6 | 171.7 | 68.3 | 0 | 0 | 0 | 0 | 113 | Y211 I218 R220 L368 I369 W370 | Y211-T372 HydrophobicContact CE1-CG2 4.45Å; I218-T372 WeakPolarHBondContact O-CG2 3.25Å; R220-T372 WeakPolarHBondContact CB-O 3.39Å; L368-T372 WeakPolarHBondContact O-CG2 3.17Å; I369-T372 WeakPolarHBondContact O-CB 3.47Å; I369-T372 PolarHBondContact O-N 3.11Å; I369-T372 PolarHBondContact O-OG1 3.46Å; W370-T372 PolarHBondContact O-N 2.94Å |
| 373 | E | 96.2 | Very high | 95.5 | Very high | 67 Ų | 67 | 19.8 Ų | 19.8 | 31% | 0.313 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -40.2 | -171.2 | -57.9 | -172.6 | 140.2 | 0 | 0 | 112.9 | K168 R220 W370 I371 P375 | K168-E373 WeakPolarHBondContact CE-OE1 3.33Å; K168-E373 IonicContact NZ-OE1 3.83Å; K168-E373 PolarHBondContact NZ-OE1 2.87Å; K168-E373 IonicContact NZ-OE2 2.87Å; K168-E373 PolarHBondContact NZ-OE2 3.19Å; R220-E373 WeakPolarHBondContact CD-O 3.16Å; R220-E373 PolarHBondContact NH1-O 3.3Å; W370-E373 PolarHBondContact O-N 3.06Å; I371-E373 VanDerWaalsContact C-N 3.27Å; E373-P375 WeakPolarHBondContact O-CD 3.44Å |
| 374 | T | 95.7 | Very high | 95.3 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | trans | -65.6 | 125.2 | -172.8 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | W370 I371 S376 G377 E381 Y408 | W370-T374 HydrophobicContact CD2-CG2 4.1Å; W370-T374 HydrophobicContact CH2-CG2 4.42Å; W370-T374 HydrophobicContact CZ2-CG2 3.87Å; W370-T374 WeakPolarHBondContact O-CG2 3.49Å; W370-T374 PolarHBondContact O-N 3.05Å; I371-T374 HydrophobicContact CD1-CG2 4.07Å; T374-S376 PolarHBondContact OG1-N 3.34Å; T374-S376 PolarHBondContact OG1-OG 3.44Å; T374-G377 PolarHBondContact OG1-N 3.24Å; T374-E381 VanDerWaalsContact CB-OE2 3.28Å; T374-E381 WeakPolarHBondContact CB-OE2 3.26Å; T374-E381 PolarHBondContact OG1-OE2 3.4Å; T374-Y408 HydrophobicContact CG2-CE1 4.41Å | ||
| 375 | P | 91.5 | Very high | 94.8 | Very high | 71 Ų | 71 | 26.8 Ų | 26.8 | 46% | 0.461 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -85.7 | -16.5 | 169.9 | 34.5 | -33.3 | 0 | 0 | 0 | 112.5 | Q222 E373 | Q222-P375 PolarHBondContact OE1-O 2.71Å; E373-P375 WeakPolarHBondContact O-CD 3.44Å |
| 376 | S | 90.6 | Very high | 94.3 | Very high | 31 Ų | 31 | 29.7 Ų | 29.7 | 22% | 0.217 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -101.9 | -32.3 | -170.9 | 76.7 | 0 | 0 | 0 | 0 | 112.1 | T374 D378 E381 Y408 | T374-S376 PolarHBondContact OG1-N 3.34Å; T374-S376 PolarHBondContact OG1-OG 3.44Å; S376-D378 PolarHBondContact O-N 3.16Å; S376-D378 VanDerWaalsContact OG-CB 3.26Å; S376-D378 WeakPolarHBondContact OG-CB 3.45Å; S376-D378 PolarHBondContact OG-N 3.1Å; S376-E381 PolarHBondContact OG-OE1 2.68Å; S376-Y408 VanDerWaalsContact C-CD1 3.42Å; S376-Y408 VanDerWaalsContact O-CD1 3.32Å; S376-Y408 WeakPolarHBondContact O-CD1 3.14Å |
| 377 | G | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | 63.3 | 20 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y341 I342 T374 I379 Y408 | Y341-G377 CarbonylContact C-O 3.49Å; Y341-G377 WeakPolarHBondContact CA-O 3.28Å; I342-G377 WeakPolarHBondContact CG2-O 3.28Å; I342-G377 PolarHBondContact N-O 3.05Å; T374-G377 PolarHBondContact OG1-N 3.24Å; G377-I379 PolarHBondContact O-N 2.82Å; G377-Y408 VanDerWaalsContact N-CD1 3.33Å | ||
| 378 | D | 93.7 | Very high | 93.5 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 110.4 | 176.6 | 179.4 | 4.9 | 0 | 0 | 0 | 110.1 | K336 W370 S376 Q380 E381 | K336-D378 WeakPolarHBondContact CE-OD2 3.36Å; K336-D378 IonicContact NZ-OD1 3.32Å; K336-D378 PolarHBondContact NZ-OD1 3.42Å; K336-D378 IonicContact NZ-OD2 3.96Å; K336-D378 PolarHBondContact NZ-OD2 3.43Å; W370-D378 WeakPolarHBondContact CZ2-O 3.34Å; S376-D378 PolarHBondContact O-N 3.16Å; S376-D378 VanDerWaalsContact OG-CB 3.26Å; S376-D378 WeakPolarHBondContact OG-CB 3.45Å; S376-D378 PolarHBondContact OG-N 3.1Å; D378-Q380 PolarHBondContact O-N 3.35Å; D378-Q380 WeakPolarHBondContact OD1-CB 3.2Å; D378-Q380 PolarHBondContact OD1-N 3.29Å; D378-Q380 VanDerWaalsContact OD1-N 3.1Å; D378-E381 HydrophobicContact CB-CG 4.18Å; D378-E381 VanDerWaalsContact O-CB 3.29Å; D378-E381 WeakPolarHBondContact O-CB 3.5Å; D378-E381 WeakPolarHBondContact O-CG 3.44Å; D378-E381 PolarHBondContact O-N 3.35Å |
| 379 | I | 95.7 | Very high | 93.3 | Very high | 25 Ų | 25 | 36.5 Ų | 36.5 | 13% | 0.128 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -56.7 | -27.9 | -176.4 | -70.4 | 164.3 | 0 | 0 | 0 | 111.8 | D340 I342 G377 E381 L382 F392 I396 | D340-I379 WeakPolarHBondContact O-CB 3.34Å; D340-I379 PolarHBondContact O-N 2.82Å; I342-I379 HydrophobicContact CB-CG1 4.09Å; I342-I379 HydrophobicContact CD1-CD1 4.37Å; I342-I379 HydrophobicContact CD1-CG1 4.24Å; G377-I379 PolarHBondContact O-N 2.82Å; I379-E381 PolarHBondContact O-N 3.15Å; I379-L382 WeakPolarHBondContact O-CB 3.42Å; I379-L382 PolarHBondContact O-N 3.06Å; I379-F392 HydrophobicContact CD1-CE1 4.09Å; I379-F392 HydrophobicContact CD1-CZ 4.19Å; I379-F392 HydrophobicContact CG1-CE1 4.28Å; I379-F392 HydrophobicContact CG1-CZ 4.23Å; I379-F392 HydrophobicContact CG2-CD1 4.34Å; I379-F392 HydrophobicContact CG2-CE1 3.48Å; I379-F392 VanDerWaalsContact CG2-CE1 3.48Å; I379-F392 HydrophobicContact CG2-CZ 4.09Å; I379-I396 HydrophobicContact CD1-CD1 4.16Å |
| 380 | Q | 91.2 | Very high | 92.8 | Very high | 66 Ų | 66 | 42 Ų | 42 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -66.8 | -18.6 | -179.4 | -61.3 | -177.8 | 30.6 | 0 | 0 | 112.7 | K336 D340 D378 L382 N383 | K336-Q380 VanDerWaalsContact NZ-CD 3.26Å; D340-Q380 PolarHBondContact OD1-NE2 2.89Å; D378-Q380 PolarHBondContact O-N 3.35Å; D378-Q380 WeakPolarHBondContact OD1-CB 3.2Å; D378-Q380 PolarHBondContact OD1-N 3.29Å; D378-Q380 VanDerWaalsContact OD1-N 3.1Å; Q380-L382 PolarHBondContact O-N 3.5Å; Q380-N383 PolarHBondContact O-N 2.99Å; Q380-N383 PolarHBondContact O-OD1 3.49Å |
| 381 | E | 93.3 | Very high | 92.5 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 24% | 0.243 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -57.3 | -35.6 | 172.7 | -69.2 | 176.6 | 178.3 | 0 | 0 | 111.6 | T128 W370 T374 S376 D378 I379 N383 | T128-E381 VanDerWaalsContact CA-O 3.23Å; T128-E381 WeakPolarHBondContact CA-O 3.5Å; T128-E381 HydrophobicContact CG2-CB 4.1Å; W370-E381 HydrophobicContact CZ2-CB 4.32Å; W370-E381 PolarHBondContact NE1-OE2 2.71Å; T374-E381 VanDerWaalsContact CB-OE2 3.28Å; T374-E381 WeakPolarHBondContact CB-OE2 3.26Å; T374-E381 PolarHBondContact OG1-OE2 3.4Å; S376-E381 PolarHBondContact OG-OE1 2.68Å; D378-E381 HydrophobicContact CB-CG 4.18Å; D378-E381 VanDerWaalsContact O-CB 3.29Å; D378-E381 WeakPolarHBondContact O-CB 3.5Å; D378-E381 WeakPolarHBondContact O-CG 3.44Å; D378-E381 PolarHBondContact O-N 3.35Å; I379-E381 PolarHBondContact O-N 3.15Å; E381-N383 VanDerWaalsContact C-N 3.25Å; E381-N383 PolarHBondContact O-N 3.37Å; E381-N383 PolarHBondContact O-ND2 3.01Å |
| 382 | L | 94.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -69.9 | -14.9 | -176.3 | -69 | 169.4 | 0 | 0 | 0 | 114.8 | P127 L367 W370 I379 Q380 L384 | P127-L382 HydrophobicContact CB-CD2 4.01Å; P127-L382 CarbonylContact O-C 3.54Å; P127-L382 WeakPolarHBondContact O-CA 3.39Å; L367-L382 HydrophobicContact CD2-CD1 3.67Å; W370-L382 HydrophobicContact CB-CD2 3.67Å; W370-L382 HydrophobicContact CD2-CD1 4.19Å; W370-L382 HydrophobicContact CD2-CD2 3.58Å; W370-L382 HydrophobicContact CD2-CG 3.8Å; W370-L382 HydrophobicContact CE3-CD1 3.78Å; W370-L382 HydrophobicContact CE3-CD2 3.87Å; W370-L382 HydrophobicContact CE3-CG 3.93Å; W370-L382 HydrophobicContact CG-CD2 3.48Å; W370-L382 VanDerWaalsContact CG-CD2 3.48Å; W370-L382 HydrophobicContact CG-CG 4.18Å; W370-L382 HydrophobicContact CH2-CD1 4.38Å; W370-L382 HydrophobicContact CZ2-CG 4.49Å; W370-L382 HydrophobicContact CZ3-CD1 3.86Å; W370-L382 HydrophobicContact CZ3-CG 4.3Å; I379-L382 WeakPolarHBondContact O-CB 3.42Å; I379-L382 PolarHBondContact O-N 3.06Å; Q380-L382 PolarHBondContact O-N 3.5Å; L382-L384 HydrophobicContact CB-CD2 3.79Å; L382-L384 HydrophobicContact CB-CG 3.76Å; L382-L384 HydrophobicContact CD1-CD1 4.29Å; L382-L384 HydrophobicContact CD1-CD2 4.43Å; L382-L384 HydrophobicContact CD1-CG 4.38Å; L382-L384 PolarHBondContact O-N 2.78Å |
| 383 | N | 88.8 | Confident | 92 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | trans | 46.6 | 36.9 | -178.1 | -62.8 | -57.4 | 0 | 0 | 0 | 114.7 | T128 D129 Q380 E381 K385 | T128-N383 PolarHBondContact O-ND2 3.14Å; D129-N383 PolarHBondContact O-ND2 2.93Å; Q380-N383 PolarHBondContact O-N 2.99Å; Q380-N383 PolarHBondContact O-OD1 3.49Å; E381-N383 VanDerWaalsContact C-N 3.25Å; E381-N383 PolarHBondContact O-N 3.37Å; E381-N383 PolarHBondContact O-ND2 3.01Å; N383-K385 WeakPolarHBondContact O-CG 3.28Å; N383-K385 PolarHBondContact O-N 2.8Å | ||
| 384 | L | 92.9 | Very high | 91.6 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 13% | 0.126 | 24% | 0.244 | C | C | . | . | trans | -57.6 | 137.2 | -173 | -59.5 | -178.9 | 0 | 0 | 0 | 112.2 | L363 L382 Q388 K389 F392 | L363-L384 HydrophobicContact CD1-CD1 3.73Å; L363-L384 HydrophobicContact CD1-CD2 3.62Å; L363-L384 HydrophobicContact CD1-CG 4.34Å; L382-L384 HydrophobicContact CB-CD2 3.79Å; L382-L384 HydrophobicContact CB-CG 3.76Å; L382-L384 HydrophobicContact CD1-CD1 4.29Å; L382-L384 HydrophobicContact CD1-CD2 4.43Å; L382-L384 HydrophobicContact CD1-CG 4.38Å; L382-L384 PolarHBondContact O-N 2.78Å; L384-Q388 HydrophobicContact CD2-CB 4.39Å; L384-K389 HydrophobicContact CB-CB 3.95Å; L384-F392 HydrophobicContact CD1-CB 3.75Å; L384-F392 HydrophobicContact CD1-CD1 3.84Å; L384-F392 HydrophobicContact CD1-CD2 4.14Å; L384-F392 HydrophobicContact CD1-CE1 4.45Å; L384-F392 HydrophobicContact CD1-CG 3.64Å | ||
| 385 | K | 87.6 | Confident | 91.4 | Very high | 129 Ų | 129 | 45.1 Ų | 45.1 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | trans | -130.2 | 162.1 | -179.5 | -63.9 | 171.8 | -165.1 | 170.8 | 0 | 111 | K130 N383 G387 Q388 K389 | K130-K385 PolarHBondContact O-NZ 3.48Å; N383-K385 WeakPolarHBondContact O-CG 3.28Å; N383-K385 PolarHBondContact O-N 2.8Å; K385-G387 PolarHBondContact O-N 2.88Å; K385-Q388 WeakPolarHBondContact O-CB 3.47Å; K385-Q388 PolarHBondContact O-N 3Å; K385-K389 PolarHBondContact O-N 3.21Å | ||
| 386 | G | 88.5 | Confident | 91.4 | Very high | 62 Ų | 62 | 44 Ų | 44 | 64% | 0.639 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | 53 | -133.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q388 K389 M390 | G386-Q388 VanDerWaalsContact C-N 3.28Å; G386-Q388 PolarHBondContact O-N 2.88Å; G386-K389 PolarHBondContact O-N 2.75Å; G386-M390 PolarHBondContact O-N 3.1Å; G386-M390 VanDerWaalsContact O-N 3.07Å |
| 387 | G | 86.8 | Confident | 91.2 | Very high | 38 Ų | 38 | 45.2 Ų | 45.2 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61 | -32.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K385 Y391 | K385-G387 PolarHBondContact O-N 2.88Å; G387-Y391 WeakPolarHBondContact O-CB 3.34Å; G387-Y391 PolarHBondContact O-N 3.02Å |
| 388 | Q | 92.6 | Very high | 90.8 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.065 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -51.1 | 177.1 | -57.2 | 171.6 | -2 | 0 | 0 | 110.7 | E359 L363 L384 K385 G386 Y391 F392 | E359-Q388 HydrophobicContact CB-CG 4.02Å; E359-Q388 WeakPolarHBondContact OE2-CG 3.43Å; E359-Q388 PolarHBondContact OE2-NE2 3.34Å; L363-Q388 HydrophobicContact CB-CB 4.36Å; L363-Q388 HydrophobicContact CB-CG 4.36Å; L384-Q388 HydrophobicContact CD2-CB 4.39Å; K385-Q388 WeakPolarHBondContact O-CB 3.47Å; K385-Q388 PolarHBondContact O-N 3Å; G386-Q388 VanDerWaalsContact C-N 3.28Å; G386-Q388 PolarHBondContact O-N 2.88Å; Q388-Y391 PolarHBondContact O-N 2.88Å; Q388-F392 VanDerWaalsContact O-CB 3.26Å; Q388-F392 WeakPolarHBondContact O-CB 3.43Å; Q388-F392 PolarHBondContact O-N 3.47Å |
| 389 | K | 93.1 | Very high | 90.6 | Very high | 94 Ų | 94 | 45.9 Ų | 45.9 | 41% | 0.409 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 178 | 176 | 161.2 | 175.4 | 43.4 | 0 | 111.3 | L384 K385 G386 Y391 F392 D393 | L384-K389 HydrophobicContact CB-CB 3.95Å; K385-K389 PolarHBondContact O-N 3.21Å; G386-K389 PolarHBondContact O-N 2.75Å; K389-Y391 VanDerWaalsContact C-N 3.33Å; K389-Y391 PolarHBondContact O-N 2.95Å; K389-F392 PolarHBondContact O-N 3.32Å; K389-D393 WeakPolarHBondContact CE-OD2 3.28Å; K389-D393 WeakPolarHBondContact CG-OD2 3.5Å; K389-D393 IonicContact NZ-OD1 3.9Å; K389-D393 PolarHBondContact NZ-OD1 3.47Å; K389-D393 IonicContact NZ-OD2 3.47Å; K389-D393 PolarHBondContact NZ-OD2 3.42Å; K389-D393 WeakPolarHBondContact O-CB 3.26Å; K389-D393 PolarHBondContact O-N 3.12Å |
| 390 | M | 87.9 | Confident | 90.2 | Very high | 114 Ų | 114 | 46.8 Ų | 46.8 | 56% | 0.562 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -58.4 | -44.8 | -179.4 | -176.7 | -176.6 | 170 | 0 | 0 | 112.1 | G386 Q394 Y472 | G386-M390 PolarHBondContact O-N 3.1Å; G386-M390 VanDerWaalsContact O-N 3.07Å; M390-Q394 WeakPolarHBondContact O-CB 3.28Å; M390-Q394 PolarHBondContact O-N 3.04Å; M390-Y472 HydrophobicContact CE-CE2 4.42Å |
| 391 | Y | 91.4 | Very high | 90 | Very high | 25 Ų | 25 | 47.4 Ų | 47.4 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.8 | -43 | 177.1 | 176.2 | -90.5 | 0 | 0 | 0 | 111.9 | I350 D353 T355 V360 L363 G387 Q388 K389 Q394 K395 | I350-Y391 HydrophobicContact CG1-CE1 4.32Å; I350-Y391 HydrophobicContact CG2-CE1 4.02Å; D353-Y391 VanDerWaalsContact CB-OH 3.24Å; D353-Y391 WeakPolarHBondContact CB-OH 3.27Å; D353-Y391 PolarHBondContact OD2-OH 2.69Å; T355-Y391 HydrophobicContact CG2-CE2 4.27Å; V360-Y391 HydrophobicContact CG1-CD1 3.95Å; V360-Y391 HydrophobicContact CG1-CD2 4.38Å; V360-Y391 HydrophobicContact CG1-CE1 3.55Å; V360-Y391 HydrophobicContact CG1-CE2 4.02Å; V360-Y391 HydrophobicContact CG1-CG 4.34Å; V360-Y391 HydrophobicContact CG2-CD1 4.01Å; V360-Y391 HydrophobicContact CG2-CD2 3.59Å; V360-Y391 HydrophobicContact CG2-CE1 4.34Å; V360-Y391 HydrophobicContact CG2-CE2 3.96Å; V360-Y391 HydrophobicContact CG2-CG 3.6Å; L363-Y391 HydrophobicContact CD2-CD1 3.7Å; L363-Y391 HydrophobicContact CD2-CE1 4.29Å; G387-Y391 WeakPolarHBondContact O-CB 3.34Å; G387-Y391 PolarHBondContact O-N 3.02Å; Q388-Y391 PolarHBondContact O-N 2.88Å; K389-Y391 VanDerWaalsContact C-N 3.33Å; K389-Y391 PolarHBondContact O-N 2.95Å; Y391-Q394 WeakPolarHBondContact O-CB 3.21Å; Y391-Q394 PolarHBondContact O-N 3.04Å; Y391-K395 HydrophobicContact CD1-CG 4.25Å; Y391-K395 HydrophobicContact CE1-CG 3.83Å; Y391-K395 HydrophobicContact CE2-CG 4.49Å; Y391-K395 WeakPolarHBondContact O-CG 3.49Å; Y391-K395 PolarHBondContact O-N 3.44Å; Y391-K395 VanDerWaalsContact O-N 3.08Å; Y391-K395 WeakPolarHBondContact OH-CE 3.38Å |
| 392 | F | 94.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -45.7 | -179.4 | -171.4 | -98 | 0 | 0 | 0 | 112.1 | I342 L346 I350 L363 L367 I379 L384 Q388 K389 Q394 K395 I396 | I342-F392 HydrophobicContact CD1-CE2 4.21Å; I342-F392 HydrophobicContact CD1-CZ 3.79Å; L346-F392 HydrophobicContact CD2-CZ 4.28Å; I350-F392 HydrophobicContact CD1-CD2 3.7Å; I350-F392 HydrophobicContact CD1-CE2 3.75Å; L363-F392 HydrophobicContact CD1-CD2 4.28Å; L363-F392 HydrophobicContact CD2-CB 4.01Å; L363-F392 HydrophobicContact CD2-CD2 4.19Å; L367-F392 HydrophobicContact CD1-CE2 4.29Å; L367-F392 HydrophobicContact CD2-CE2 4.11Å; I379-F392 HydrophobicContact CD1-CE1 4.09Å; I379-F392 HydrophobicContact CD1-CZ 4.19Å; I379-F392 HydrophobicContact CG1-CE1 4.28Å; I379-F392 HydrophobicContact CG1-CZ 4.23Å; I379-F392 HydrophobicContact CG2-CD1 4.34Å; I379-F392 HydrophobicContact CG2-CE1 3.48Å; I379-F392 VanDerWaalsContact CG2-CE1 3.48Å; I379-F392 HydrophobicContact CG2-CZ 4.09Å; L384-F392 HydrophobicContact CD1-CB 3.75Å; L384-F392 HydrophobicContact CD1-CD1 3.84Å; L384-F392 HydrophobicContact CD1-CD2 4.14Å; L384-F392 HydrophobicContact CD1-CE1 4.45Å; L384-F392 HydrophobicContact CD1-CG 3.64Å; Q388-F392 VanDerWaalsContact O-CB 3.26Å; Q388-F392 WeakPolarHBondContact O-CB 3.43Å; Q388-F392 PolarHBondContact O-N 3.47Å; K389-F392 PolarHBondContact O-N 3.32Å; F392-Q394 VanDerWaalsContact C-N 3.33Å; F392-Q394 PolarHBondContact O-N 3.01Å; F392-K395 PolarHBondContact O-N 2.9Å; F392-I396 HydrophobicContact CD1-CD1 3.63Å; F392-I396 HydrophobicContact CD1-CG1 4.3Å; F392-I396 HydrophobicContact CE1-CD1 3.24Å; F392-I396 HydrophobicContact CE1-CG1 4Å; F392-I396 HydrophobicContact CZ-CD1 4.05Å; F392-I396 HydrophobicContact CZ-CG1 4.45Å; F392-I396 PolarHBondContact O-N 3.44Å |
| 393 | D | 91.4 | Very high | 88.5 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.3 | -45 | 175.7 | -66.7 | -19.5 | 0 | 0 | 0 | 110.7 | K389 K395 I396 E397 | K389-D393 WeakPolarHBondContact CE-OD2 3.28Å; K389-D393 WeakPolarHBondContact CG-OD2 3.5Å; K389-D393 IonicContact NZ-OD1 3.9Å; K389-D393 PolarHBondContact NZ-OD1 3.47Å; K389-D393 IonicContact NZ-OD2 3.47Å; K389-D393 PolarHBondContact NZ-OD2 3.42Å; K389-D393 WeakPolarHBondContact O-CB 3.26Å; K389-D393 PolarHBondContact O-N 3.12Å; D393-K395 VanDerWaalsContact C-N 3.27Å; D393-K395 PolarHBondContact O-N 3.25Å; D393-I396 PolarHBondContact O-N 3.22Å; D393-E397 WeakPolarHBondContact O-CG 3.36Å; D393-E397 PolarHBondContact O-N 3.37Å |
| 394 | Q | 88.3 | Confident | 88.4 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 17% | 0.173 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.3 | -41.1 | 174.3 | 170.6 | 175.7 | -3.7 | 0 | 0 | 112.4 | M390 Y391 F392 E397 T398 Y472 L476 | M390-Q394 WeakPolarHBondContact O-CB 3.28Å; M390-Q394 PolarHBondContact O-N 3.04Å; Y391-Q394 WeakPolarHBondContact O-CB 3.21Å; Y391-Q394 PolarHBondContact O-N 3.04Å; F392-Q394 VanDerWaalsContact C-N 3.33Å; F392-Q394 PolarHBondContact O-N 3.01Å; Q394-E397 PolarHBondContact O-N 3.36Å; Q394-T398 PolarHBondContact O-N 3.37Å; Q394-T398 VanDerWaalsContact O-N 3.16Å; Q394-T398 PolarHBondContact O-OG1 2.95Å; Q394-Y472 WeakPolarHBondContact CA-OH 3.39Å; Q394-Y472 WeakPolarHBondContact CB-OH 3.45Å; Q394-L476 HydrophobicContact CB-CD2 4.26Å; Q394-L476 HydrophobicContact CG-CD1 4.49Å; Q394-L476 HydrophobicContact CG-CD2 3.54Å |
| 395 | K | 90.6 | Very high | 88.3 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.7 | -38 | -180 | -68.4 | -63.8 | -173.1 | -178.6 | 0 | 111.7 | L346 I350 D353 Y391 F392 D393 E397 T398 Y399 | L346-K395 HydrophobicContact CD1-CB 3.96Å; I350-K395 HydrophobicContact CD1-CB 4.26Å; I350-K395 HydrophobicContact CG1-CB 4.02Å; I350-K395 HydrophobicContact CG1-CG 3.99Å; D353-K395 WeakPolarHBondContact OD2-CE 2.79Å; D353-K395 IonicContact OD2-NZ 3.7Å; D353-K395 PolarHBondContact OD2-NZ 2.98Å; Y391-K395 HydrophobicContact CD1-CG 4.25Å; Y391-K395 HydrophobicContact CE1-CG 3.83Å; Y391-K395 HydrophobicContact CE2-CG 4.49Å; Y391-K395 WeakPolarHBondContact O-CG 3.49Å; Y391-K395 PolarHBondContact O-N 3.44Å; Y391-K395 VanDerWaalsContact O-N 3.08Å; Y391-K395 WeakPolarHBondContact OH-CE 3.38Å; F392-K395 PolarHBondContact O-N 2.9Å; D393-K395 VanDerWaalsContact C-N 3.27Å; D393-K395 PolarHBondContact O-N 3.25Å; K395-E397 VanDerWaalsContact C-N 3.34Å; K395-E397 PolarHBondContact O-N 2.76Å; K395-T398 PolarHBondContact O-N 3.36Å; K395-T398 PolarHBondContact O-OG1 3.45Å; K395-Y399 VanDerWaalsContact O-CB 3.29Å; K395-Y399 WeakPolarHBondContact O-CB 3.38Å; K395-Y399 PolarHBondContact O-N 3.5Å |
| 396 | I | 91.4 | Very high | 88.6 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 24% | 0.236 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 171.3 | -73.5 | 172.4 | 0 | 0 | 0 | 110.8 | L346 I379 F392 D393 T398 Y399 | L346-I396 HydrophobicContact CD2-CD1 4.49Å; L346-I396 HydrophobicContact CD2-CG1 3.55Å; I379-I396 HydrophobicContact CD1-CD1 4.16Å; F392-I396 HydrophobicContact CD1-CD1 3.63Å; F392-I396 HydrophobicContact CD1-CG1 4.3Å; F392-I396 HydrophobicContact CE1-CD1 3.24Å; F392-I396 HydrophobicContact CE1-CG1 4Å; F392-I396 HydrophobicContact CZ-CD1 4.05Å; F392-I396 HydrophobicContact CZ-CG1 4.45Å; F392-I396 PolarHBondContact O-N 3.44Å; D393-I396 PolarHBondContact O-N 3.22Å; I396-T398 VanDerWaalsContact C-N 3.3Å; I396-T398 PolarHBondContact O-N 2.85Å; I396-Y399 WeakPolarHBondContact O-CB 3.37Å; I396-Y399 PolarHBondContact O-N 3.11Å |
| 397 | E | 87.1 | Confident | 88.8 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 27% | 0.271 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | -177.3 | -72.6 | -177 | -175.5 | 0 | 0 | 111.8 | D393 Q394 K395 Y472 Q473 L476 K588 Q589 | D393-E397 WeakPolarHBondContact O-CG 3.36Å; D393-E397 PolarHBondContact O-N 3.37Å; Q394-E397 PolarHBondContact O-N 3.36Å; K395-E397 VanDerWaalsContact C-N 3.34Å; K395-E397 PolarHBondContact O-N 2.76Å; E397-Y472 WeakPolarHBondContact OE2-CE1 3.42Å; E397-Q473 PolarHBondContact OE1-NE2 2.91Å; E397-Q473 PolarHBondContact OE2-NE2 2.99Å; E397-Q473 PolarHBondContact OE2-OE1 3.4Å; E397-L476 HydrophobicContact CB-CD1 4.43Å; E397-L476 WeakPolarHBondContact OE2-CD1 3.4Å; E397-K588 VanDerWaalsContact O-CE 3.26Å; E397-K588 WeakPolarHBondContact O-CE 3.28Å; E397-K588 PolarHBondContact O-NZ 2.93Å; E397-Q589 PolarHBondContact O-NE2 2.7Å |
| 398 | T | 85.6 | Confident | 89.2 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -87.3 | -6.5 | -179.9 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | Q394 K395 I396 L485 S585 Q589 | Q394-T398 PolarHBondContact O-N 3.37Å; Q394-T398 VanDerWaalsContact O-N 3.16Å; Q394-T398 PolarHBondContact O-OG1 2.95Å; K395-T398 PolarHBondContact O-N 3.36Å; K395-T398 PolarHBondContact O-OG1 3.45Å; I396-T398 VanDerWaalsContact C-N 3.3Å; I396-T398 PolarHBondContact O-N 2.85Å; T398-L485 HydrophobicContact CG2-CD1 4.1Å; T398-L485 HydrophobicContact CG2-CD2 4.29Å; T398-L485 HydrophobicContact CG2-CG 4.48Å; T398-S585 PolarHBondContact O-OG 3.22Å; T398-Q589 HydrophobicContact CG2-CG 4.46Å |
| 399 | Y | 89.6 | Confident | 89.1 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | trans | -67.6 | 135.6 | -177.4 | -174.8 | -122.8 | 0 | 0 | 0 | 112.7 | S343 G345 L346 K395 I396 P401 D405 K588 | S343-Y399 WeakPolarHBondContact OG-CE1 3.32Å; S343-Y399 PolarHBondContact OG-OH 3.36Å; G345-Y399 VanDerWaalsContact C-CE2 3.49Å; G345-Y399 VanDerWaalsContact CA-OH 3.25Å; G345-Y399 WeakPolarHBondContact CA-OH 3.44Å; L346-Y399 HydrophobicContact CB-CD1 4.12Å; L346-Y399 HydrophobicContact CB-CD2 4.09Å; L346-Y399 HydrophobicContact CB-CE1 4.1Å; L346-Y399 HydrophobicContact CB-CE2 4.12Å; L346-Y399 HydrophobicContact CB-CG 4.13Å; L346-Y399 HydrophobicContact CD1-CD2 4.08Å; L346-Y399 HydrophobicContact CD1-CG 4.02Å; L346-Y399 VanDerWaalsContact N-CZ 3.35Å; L346-Y399 PolarHBondContact N-OH 3.38Å; K395-Y399 VanDerWaalsContact O-CB 3.29Å; K395-Y399 WeakPolarHBondContact O-CB 3.38Å; K395-Y399 PolarHBondContact O-N 3.5Å; I396-Y399 WeakPolarHBondContact O-CB 3.37Å; I396-Y399 PolarHBondContact O-N 3.11Å; Y399-P401 HydrophobicContact CD1-CG 4.2Å; Y399-P401 HydrophobicContact CE1-CB 4.14Å; Y399-P401 HydrophobicContact CE1-CG 3.74Å; Y399-D405 PolarHBondContact OH-OD1 3.28Å; Y399-D405 PolarHBondContact OH-OD2 2.57Å; Y399-K588 PolarHBondContact O-NZ 3.19Å | ||
| 400 | V | 87 | Confident | 89 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | trans | -126.2 | 112.7 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 108 | K584 | V400-K584 HydrophobicContact CG1-CB 4.31Å; V400-K584 HydrophobicContact CG1-CD 4.37Å; V400-K584 HydrophobicContact CG2-CB 4.24Å | ||
| 401 | P | 86.8 | Confident | 89.1 | Confident | 79 Ų | 79 | 52.1 Ų | 52.1 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | trans | -58.4 | 140.4 | -178.2 | -25.3 | 33 | 0 | 0 | 0 | 114.1 | Y399 D405 | Y399-P401 HydrophobicContact CD1-CG 4.2Å; Y399-P401 HydrophobicContact CE1-CB 4.14Å; Y399-P401 HydrophobicContact CE1-CG 3.74Å; P401-D405 HydrophobicContact CB-CB 4.39Å | ||
| 402 | A | 80.7 | Confident | 89 | Confident | 67 Ų | 67 | 51.2 Ų | 51.2 | 55% | 0.554 | 26% | 0.258 | S | S | * | . | trans | -81.8 | 163 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H404 D405 | A402-H404 PolarHBondContact O-N 3.11Å; A402-D405 WeakPolarHBondContact O-CB 3.34Å; A402-D405 PolarHBondContact O-N 3.33Å | ||
| 403 | R | 77.1 | Confident | 88.8 | Confident | 248 Ų | 248 | 56.2 Ų | 56.2 | 94% | 0.936 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.3 | -178.5 | -82 | -174.5 | 176.8 | 164.9 | -0.7 | 114.5 | ||
| 404 | H | 84.9 | Confident | 88.7 | Confident | 162 Ų | 162 | 60 Ų | 60 | 75% | 0.75 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 19.1 | -178 | -61.1 | -61.3 | 0 | 0 | 0 | 113.1 | F214 A402 V406 | F214-H404 VanDerWaalsContact CE2-O 3.32Å; F214-H404 WeakPolarHBondContact CE2-O 3.11Å; A402-H404 PolarHBondContact O-N 3.11Å; H404-V406 PolarHBondContact O-N 2.81Å |
| 405 | D | 91.3 | Very high | 88.7 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | trans | -61 | 135.2 | -179.1 | -172.6 | 19.1 | 0 | 0 | 0 | 112 | S343 G345 Y399 P401 A402 | S343-D405 WeakPolarHBondContact CB-OD2 3.43Å; S343-D405 PolarHBondContact OG-OD1 3.1Å; S343-D405 PolarHBondContact OG-OD2 3.39Å; G345-D405 WeakPolarHBondContact CA-OD1 3.37Å; G345-D405 PolarHBondContact N-OD1 2.84Å; Y399-D405 PolarHBondContact OH-OD1 3.28Å; Y399-D405 PolarHBondContact OH-OD2 2.57Å; P401-D405 HydrophobicContact CB-CB 4.39Å; A402-D405 WeakPolarHBondContact O-CB 3.34Å; A402-D405 PolarHBondContact O-N 3.33Å | ||
| 406 | V | 93.5 | Very high | 88.6 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 29% | 0.285 | 28% | 0.28 | S | S | . | . | trans | -98.5 | 107.6 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | F214 L344 H404 | F214-V406 HydrophobicContact CD2-CB 4.5Å; F214-V406 HydrophobicContact CD2-CG2 3.81Å; F214-V406 HydrophobicContact CE2-CG2 4.29Å; L344-V406 HydrophobicContact CB-CB 4.23Å; L344-V406 HydrophobicContact CD1-CB 3.74Å; L344-V406 HydrophobicContact CD1-CG1 3.84Å; L344-V406 HydrophobicContact CD1-CG2 4.34Å; L344-V406 HydrophobicContact CG-CB 3.97Å; L344-V406 HydrophobicContact CG-CG1 4.19Å; L344-V406 PolarHBondContact N-O 3.1Å; H404-V406 PolarHBondContact O-N 2.81Å | ||
| 407 | H | 93.9 | Very high | 88.3 | Confident | 27 Ų | 27 | 61.8 Ų | 61.8 | 13% | 0.125 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -115.8 | 125.7 | -177.6 | -167.6 | -21.5 | 0 | 0 | 0 | 110.5 | K338 Y341 I342 Y409 N410 | K338-H407 PolarHBondContact O-CE1 3.19Å; Y341-H407 PolarHBondContact O-CE1 3.34Å; I342-H407 PolarHBondContact O-ND1 3.26Å; H407-Y409 PolarHBondContact ND1-N 3.15Å; H407-Y409 PolarHBondContact O-N 3.49Å; H407-N410 WeakPolarHBondContact O-CB 3.29Å; H407-N410 PolarHBondContact O-N 3.26Å |
| 408 | Y | 94 | Very high | 88.5 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -25.8 | -174.7 | -84.8 | -109.7 | 0 | 0 | 0 | 113.8 | Q222 I342 L344 I371 T374 S376 G377 N410 F411 I412 | Q222-Y408 HydrophobicContact CG-CE1 4.23Å; Q222-Y408 PolarHBondContact NE2-OH 2.81Å; I342-Y408 HydrophobicContact CG2-CD2 3.49Å; I342-Y408 VanDerWaalsContact CG2-CD2 3.49Å; I342-Y408 HydrophobicContact CG2-CE2 3.82Å; I342-Y408 HydrophobicContact CG2-CG 4.03Å; I342-Y408 PolarHBondContact O-N 3.31Å; L344-Y408 HydrophobicContact CD2-CE2 4.19Å; I371-Y408 HydrophobicContact CD1-CE2 3.76Å; T374-Y408 HydrophobicContact CG2-CE1 4.41Å; S376-Y408 VanDerWaalsContact C-CD1 3.42Å; S376-Y408 VanDerWaalsContact O-CD1 3.32Å; S376-Y408 WeakPolarHBondContact O-CD1 3.14Å; G377-Y408 VanDerWaalsContact N-CD1 3.33Å; Y408-N410 PolarHBondContact O-N 2.98Å; Y408-F411 VanDerWaalsContact O-CB 3.28Å; Y408-F411 WeakPolarHBondContact O-CB 3.4Å; Y408-F411 PolarHBondContact O-N 3.03Å; Y408-I412 PolarHBondContact O-N 3.39Å |
| 409 | Y | 91.6 | Very high | 88.8 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.2 | -35 | 171.2 | -179.5 | -94.1 | 0 | 0 | 0 | 112.6 | K338 Y341 H407 F411 I412 K413 N436 I438 | K338-Y409 HydrophobicContact CB-CD1 4.47Å; K338-Y409 HydrophobicContact CB-CD2 4.01Å; K338-Y409 HydrophobicContact CB-CE2 4.21Å; K338-Y409 HydrophobicContact CB-CG 4.14Å; K338-Y409 HydrophobicContact CD-CD1 4.29Å; K338-Y409 HydrophobicContact CG-CD1 4.02Å; K338-Y409 HydrophobicContact CG-CD2 4.22Å; K338-Y409 HydrophobicContact CG-CG 3.83Å; Y341-Y409 AromaticContact CD2-CD2 3.87Å; Y341-Y409 HydrophobicContact CD2-CD2 3.87Å; Y341-Y409 HydrophobicContact CE2-CD2 4.14Å; H407-Y409 PolarHBondContact ND1-N 3.15Å; H407-Y409 PolarHBondContact O-N 3.49Å; Y409-F411 VanDerWaalsContact C-N 3.27Å; Y409-F411 PolarHBondContact O-N 2.77Å; Y409-I412 PolarHBondContact O-N 2.94Å; Y409-K413 HydrophobicContact CE1-CD 4.41Å; Y409-K413 PolarHBondContact O-N 2.87Å; Y409-N436 WeakPolarHBondContact CE2-OD1 3.35Å; Y409-N436 WeakPolarHBondContact OH-CA 3.46Å; Y409-N436 PolarHBondContact OH-OD1 2.84Å; Y409-I438 HydrophobicContact CD2-CD1 4.06Å; Y409-I438 HydrophobicContact CE1-CD1 4.34Å; Y409-I438 HydrophobicContact CE2-CD1 3.36Å; Y409-I438 HydrophobicContact CE2-CG1 4.32Å |
| 410 | N | 90.8 | Very high | 88.9 | Confident | 86 Ų | 86 | 58.7 Ų | 58.7 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.5 | -24.5 | 177.8 | -64.5 | -25.5 | 0 | 0 | 0 | 112.5 | H407 Y408 K413 R414 | H407-N410 WeakPolarHBondContact O-CB 3.29Å; H407-N410 PolarHBondContact O-N 3.26Å; Y408-N410 PolarHBondContact O-N 2.98Å; N410-K413 WeakPolarHBondContact O-CA 3.43Å; N410-R414 PolarHBondContact O-N 2.85Å |
| 411 | F | 90.1 | Very high | 89.3 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 172.9 | 171.8 | -105.2 | 0 | 0 | 0 | 111.3 | Q222 V223 D224 F225 Y408 Y409 R414 N415 | Q222-F411 HydrophobicContact CB-CD2 3.63Å; Q222-F411 HydrophobicContact CB-CE2 3.78Å; Q222-F411 HydrophobicContact CB-CG 4.2Å; Q222-F411 HydrophobicContact CB-CZ 4.48Å; Q222-F411 HydrophobicContact CG-CD2 4.32Å; Q222-F411 HydrophobicContact CG-CG 4.42Å; V223-F411 WeakPolarHBondContact O-CZ 3.49Å; D224-F411 WeakPolarHBondContact OD1-CE2 3.46Å; F225-F411 HydrophobicContact CD1-CZ 4.48Å; F225-F411 HydrophobicContact CE1-CE1 4.04Å; F225-F411 HydrophobicContact CE1-CZ 4.11Å; F225-F411 HydrophobicContact CZ-CE1 4.07Å; F225-F411 HydrophobicContact CZ-CZ 4.49Å; Y408-F411 VanDerWaalsContact O-CB 3.28Å; Y408-F411 WeakPolarHBondContact O-CB 3.4Å; Y408-F411 PolarHBondContact O-N 3.03Å; Y409-F411 VanDerWaalsContact C-N 3.27Å; Y409-F411 PolarHBondContact O-N 2.77Å; F411-R414 VanDerWaalsContact CD2-NH2 3.27Å; F411-R414 WeakPolarHBondContact O-CG 3.42Å; F411-N415 WeakPolarHBondContact CD2-ND2 3.41Å; F411-N415 WeakPolarHBondContact CE2-ND2 3.32Å; F411-N415 WeakPolarHBondContact O-CB 3.26Å; F411-N415 PolarHBondContact O-N 3.33Å; F411-N415 PolarHBondContact O-ND2 3.3Å |
| 412 | I | 89.2 | Confident | 89.7 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.9 | -47.8 | 172.8 | -55 | 174.9 | 0 | 0 | 0 | 109.5 | L333 I335 Y341 Y408 Y409 R414 N415 A416 I419 I438 | L333-I412 HydrophobicContact CD2-CB 4.25Å; L333-I412 HydrophobicContact CD2-CD1 4.02Å; L333-I412 HydrophobicContact CD2-CG1 3.89Å; L333-I412 HydrophobicContact CD2-CG2 3.46Å; L333-I412 VanDerWaalsContact CD2-CG2 3.46Å; I335-I412 HydrophobicContact CD1-CG2 4.29Å; Y341-I412 HydrophobicContact CD1-CD1 3.92Å; Y341-I412 HydrophobicContact CD2-CD1 4.44Å; Y341-I412 HydrophobicContact CE1-CD1 3.28Å; Y341-I412 HydrophobicContact CE2-CD1 3.87Å; Y341-I412 HydrophobicContact CG-CD1 4.45Å; Y341-I412 WeakPolarHBondContact OH-CD1 3.41Å; Y408-I412 PolarHBondContact O-N 3.39Å; Y409-I412 PolarHBondContact O-N 2.94Å; I412-R414 PolarHBondContact O-N 3.35Å; I412-N415 CarbonylContact O-C 3.51Å; I412-N415 PolarHBondContact O-N 2.96Å; I412-A416 PolarHBondContact O-N 3.47Å; I412-I419 HydrophobicContact CG2-CD1 4.09Å; I412-I438 HydrophobicContact CB-CD1 4.02Å; I412-I438 HydrophobicContact CG2-CD1 3.6Å |
| 413 | K | 89.1 | Confident | 90.4 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 47% | 0.465 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -16 | -78.9 | 156.8 | 172.3 | -134.1 | -165.4 | 165.6 | 0 | 114.7 | Y409 N410 N415 A416 S437 I438 | Y409-K413 HydrophobicContact CE1-CD 4.41Å; Y409-K413 PolarHBondContact O-N 2.87Å; N410-K413 WeakPolarHBondContact O-CA 3.43Å; K413-N415 VanDerWaalsContact C-N 3.26Å; K413-N415 PolarHBondContact O-N 3.44Å; K413-A416 WeakPolarHBondContact O-CB 3.49Å; K413-A416 PolarHBondContact O-N 3.46Å; K413-S437 WeakPolarHBondContact CD-OG 3.47Å; K413-S437 WeakPolarHBondContact CE-OG 3.42Å; K413-S437 PolarHBondContact NZ-OG 3.39Å; K413-I438 HydrophobicContact CB-CD1 4.12Å; K413-I438 HydrophobicContact CB-CG1 3.76Å |
| 414 | R | 89.3 | Confident | 91.2 | Very high | 131 Ų | 131 | 37.8 Ų | 37.8 | 49% | 0.494 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -70.9 | -20.6 | -172 | 70.8 | -172.3 | -165.3 | -165.8 | 8.1 | 113.5 | D224 N410 F411 I412 | D224-R414 IonicContact OD1-CZ 2.7Å; D224-R414 IonicContact OD1-NE 2.96Å; D224-R414 PolarHBondContact OD1-NE 3.05Å; D224-R414 IonicContact OD1-NH2 2.9Å; D224-R414 PolarHBondContact OD1-NH2 3.29Å; D224-R414 IonicContact OD2-NE 3.02Å; D224-R414 IonicContact OD2-NH2 3.9Å; N410-R414 PolarHBondContact O-N 2.85Å; F411-R414 VanDerWaalsContact CD2-NH2 3.27Å; F411-R414 WeakPolarHBondContact O-CG 3.42Å; I412-R414 PolarHBondContact O-N 3.35Å |
| 415 | N | 89.7 | Confident | 91.5 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -97.4 | -1.7 | -179.5 | -76.3 | -72.9 | 0 | 0 | 0 | 113.9 | D224 F225 F411 I412 K413 Q417 N418 | D224-N415 WeakPolarHBondContact CA-OD1 3.36Å; D224-N415 VanDerWaalsContact CB-OD1 3.31Å; D224-N415 WeakPolarHBondContact CB-OD1 3.45Å; D224-N415 PolarHBondContact OD1-ND2 3.18Å; F225-N415 HydrophobicContact CB-CB 4.4Å; F225-N415 HydrophobicContact CD2-CB 3.51Å; F225-N415 HydrophobicContact CE2-CB 3.92Å; F225-N415 HydrophobicContact CG-CB 4.07Å; F225-N415 PolarHBondContact N-OD1 3.01Å; F411-N415 WeakPolarHBondContact CD2-ND2 3.41Å; F411-N415 WeakPolarHBondContact CE2-ND2 3.32Å; F411-N415 WeakPolarHBondContact O-CB 3.26Å; F411-N415 PolarHBondContact O-N 3.33Å; F411-N415 PolarHBondContact O-ND2 3.3Å; I412-N415 CarbonylContact O-C 3.51Å; I412-N415 PolarHBondContact O-N 2.96Å; K413-N415 VanDerWaalsContact C-N 3.26Å; K413-N415 PolarHBondContact O-N 3.44Å; N415-Q417 VanDerWaalsContact C-N 3.28Å; N415-Q417 PolarHBondContact O-N 3.36Å; N415-Q417 VanDerWaalsContact O-N 3.17Å; N415-N418 WeakPolarHBondContact O-CB 3.1Å; N415-N418 PolarHBondContact O-N 3.37Å |
| 416 | A | 87.7 | Confident | 91.6 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 7% | 0.066 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -55.9 | -38.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I412 K413 N418 I419 L441 | I412-A416 PolarHBondContact O-N 3.47Å; K413-A416 WeakPolarHBondContact O-CB 3.49Å; K413-A416 PolarHBondContact O-N 3.46Å; A416-N418 PolarHBondContact O-N 3.14Å; A416-N418 VanDerWaalsContact O-N 3.12Å; A416-I419 WeakPolarHBondContact O-CB 3.23Å; A416-I419 PolarHBondContact O-N 2.86Å; A416-L441 HydrophobicContact CB-CD1 3.43Å; A416-L441 VanDerWaalsContact CB-CD1 3.43Å; A416-L441 HydrophobicContact CB-CG 3.96Å |
| 417 | Q | 86.3 | Confident | 91.5 | Very high | 139 Ų | 139 | 29.6 Ų | 29.6 | 65% | 0.65 | 14% | 0.143 | S | C | * | . | G | 310 helix | trans | -61.1 | -19.2 | 175.8 | 66.4 | -175.4 | -20 | 0 | 0 | 114.4 | H300 N415 | H300-Q417 PolarHBondContact CE1-O 3.05Å; N415-Q417 VanDerWaalsContact C-N 3.28Å; N415-Q417 PolarHBondContact O-N 3.36Å; N415-Q417 VanDerWaalsContact O-N 3.17Å |
| 418 | N | 90.2 | Very high | 91.3 | Very high | 22 Ų | 22 | 29.9 Ų | 29.9 | 12% | 0.118 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -96.4 | 1.5 | 179 | -65.7 | -30.2 | 0 | 0 | 0 | 112.2 | F225 N331 N415 A416 Q420 | F225-N418 HydrophobicContact CB-CB 3.97Å; F225-N418 PolarHBondContact O-ND2 3.47Å; N331-N418 WeakPolarHBondContact CB-O 3.4Å; N331-N418 PolarHBondContact ND2-O 2.65Å; N415-N418 WeakPolarHBondContact O-CB 3.1Å; N415-N418 PolarHBondContact O-N 3.37Å; A416-N418 PolarHBondContact O-N 3.14Å; A416-N418 VanDerWaalsContact O-N 3.12Å; N418-Q420 VanDerWaalsContact C-NE2 3.32Å; N418-Q420 PolarHBondContact O-NE2 2.8Å; N418-Q420 PolarHBondContact O-OE1 3.36Å |
| 419 | I | 91.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | trans | -95.5 | 109.2 | -178.2 | -58 | 175 | 0 | 0 | 0 | 109.5 | F225 H300 L333 I335 I412 A416 I421 F442 | F225-I419 HydrophobicContact CD2-CG1 4.01Å; F225-I419 HydrophobicContact CE2-CD1 4.14Å; F225-I419 HydrophobicContact CE2-CG1 3.98Å; H300-I419 PolarHBondContact CE1-O 3.38Å; H300-I419 PolarHBondContact ND1-O 3.35Å; L333-I419 HydrophobicContact CB-CD1 4.16Å; L333-I419 HydrophobicContact CB-CG2 4.17Å; L333-I419 HydrophobicContact CD2-CD1 3.74Å; I335-I419 HydrophobicContact CD1-CD1 4.47Å; I412-I419 HydrophobicContact CG2-CD1 4.09Å; A416-I419 WeakPolarHBondContact O-CB 3.23Å; A416-I419 PolarHBondContact O-N 2.86Å; I419-I421 WeakPolarHBondContact CG2-O 3.46Å; I419-F442 HydrophobicContact CG2-CZ 4.39Å | ||
| 420 | Q | 93 | Very high | 91 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.019 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -76 | -37.1 | -177.9 | -69.7 | 65.2 | 57.1 | 0 | 0 | 111.7 | P228 N294 H300 V301 I330 N331 N418 | P228-Q420 VanDerWaalsContact CB-CD 3.48Å; P228-Q420 HydrophobicContact CB-CG 4.14Å; P228-Q420 HydrophobicContact CG-CG 4.27Å; N294-Q420 HydrophobicContact CB-CB 4.41Å; N294-Q420 VanDerWaalsContact CG-CG 3.44Å; N294-Q420 WeakPolarHBondContact OD1-CG 3.18Å; H300-Q420 WeakPolarHBondContact CA-O 3.24Å; V301-Q420 PolarHBondContact N-O 3.16Å; V301-Q420 VanDerWaalsContact N-O 3.14Å; I330-Q420 HydrophobicContact CB-CB 4.5Å; I330-Q420 HydrophobicContact CB-CG 4.46Å; N331-Q420 PolarHBondContact O-N 3.4Å; N331-Q420 PolarHBondContact O-OE1 3.07Å; N418-Q420 VanDerWaalsContact C-NE2 3.32Å; N418-Q420 PolarHBondContact O-NE2 2.8Å; N418-Q420 PolarHBondContact O-OE1 3.36Å |
| 421 | I | 95.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 117 | -176.2 | -59.1 | 177.6 | 0 | 0 | 0 | 109.2 | L287 A290 V301 I303 I330 N331 A332 L333 I419 I423 | L287-I421 HydrophobicContact CD2-CD1 4.44Å; A290-I421 HydrophobicContact CB-CD1 4.17Å; A290-I421 HydrophobicContact CB-CG1 4.38Å; V301-I421 WeakPolarHBondContact O-CA 3.43Å; I303-I421 HydrophobicContact CD1-CG2 3.56Å; I303-I421 HydrophobicContact CG1-CG2 4.07Å; I330-I421 HydrophobicContact CD1-CD1 4.19Å; N331-I421 PolarHBondContact O-N 2.8Å; A332-I421 WeakPolarHBondContact CA-O 3.46Å; A332-I421 HydrophobicContact CB-CB 4.05Å; L333-I421 PolarHBondContact N-O 2.66Å; L333-I421 VanDerWaalsContact N-O 3.09Å; I419-I421 WeakPolarHBondContact CG2-O 3.46Å; I421-I423 HydrophobicContact CG2-CG1 4.14Å |
| 422 | G | 94.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 133.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V301 M302 I303 F442 | V301-G422 PolarHBondContact O-N 3.39Å; M302-G422 CarbonylContact C-O 3.58Å; M302-G422 WeakPolarHBondContact CA-O 3.29Å; I303-G422 PolarHBondContact N-O 2.64Å; G422-F442 VanDerWaalsContact N-CE1 3.34Å |
| 423 | I | 95.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.8 | 174.4 | -60.8 | -173.5 | 0 | 0 | 0 | 108.5 | I303 Q311 L314 L315 I319 L333 L334 I335 I421 | I303-I423 HydrophobicContact CB-CG1 4.44Å; I303-I423 CarbonylContact O-C 3.32Å; I303-I423 WeakPolarHBondContact O-CA 3.39Å; Q311-I423 HydrophobicContact CB-CG2 4.26Å; Q311-I423 HydrophobicContact CG-CG2 3.95Å; L314-I423 HydrophobicContact CB-CD1 3.72Å; L314-I423 HydrophobicContact CD1-CD1 4.07Å; L315-I423 HydrophobicContact CD2-CD1 3.74Å; L315-I423 HydrophobicContact CD2-CG1 4.35Å; L315-I423 HydrophobicContact CG-CD1 3.87Å; I319-I423 HydrophobicContact CD1-CD1 3.86Å; L333-I423 PolarHBondContact O-N 2.88Å; L334-I423 CarbonylContact C-O 3.59Å; L334-I423 WeakPolarHBondContact CA-O 3.14Å; L334-I423 HydrophobicContact CD1-CG2 4.27Å; L334-I423 WeakPolarHBondContact CD1-O 3.42Å; I335-I423 PolarHBondContact N-O 3.39Å; I421-I423 HydrophobicContact CG2-CG1 4.14Å |
| 424 | T | 93.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 167 | 179.4 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | M302 I303 S304 T305 Q311 H428 L429 Y439 | M302-T424 HydrophobicContact CG-CG2 3.92Å; M302-T424 HydrophobicContact SD-CG2 3.47Å; M302-T424 WeakPolarHBondContact SD-CG2 3.26Å; I303-T424 PolarHBondContact O-N 2.72Å; S304-T424 WeakPolarHBondContact CA-O 3.37Å; T305-T424 PolarHBondContact N-O 3.28Å; T305-T424 PolarHBondContact OG1-O 3.26Å; T305-T424 VanDerWaalsContact OG1-O 3.05Å; Q311-T424 PolarHBondContact NE2-O 3.2Å; Q311-T424 VanDerWaalsContact NE2-O 3.11Å; T424-H428 WeakPolarHBondContact OG1-CB 3.47Å; T424-L429 HydrophobicContact CG2-CB 4.14Å; T424-L429 HydrophobicContact CG2-CD1 4.08Å; T424-Y439 HydrophobicContact CG2-CE1 4.24Å; T424-Y439 PolarHBondContact OG1-OH 3.03Å |
| 425 | N | 92.3 | Very high | 85 | Confident | 22 Ų | 22 | 35.8 Ų | 35.8 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 164.5 | 162.1 | 58.8 | 41.2 | 0 | 0 | 0 | 110.8 | S304 T305 A427 H428 L429 | S304-N425 PolarHBondContact OG-O 3.02Å; T305-N425 VanDerWaalsContact O-CA 3.22Å; T305-N425 WeakPolarHBondContact O-CA 3.43Å; N425-A427 VanDerWaalsContact C-N 3.28Å; N425-A427 PolarHBondContact O-N 3.28Å; N425-A427 WeakPolarHBondContact OD1-CB 3.43Å; N425-A427 PolarHBondContact OD1-N 2.91Å; N425-H428 VanDerWaalsContact CG-CD2 3.42Å; N425-H428 PolarHBondContact ND2-CD2 3.03Å; N425-H428 PolarHBondContact ND2-NE2 2.96Å; N425-H428 PolarHBondContact O-N 3.49Å; N425-H428 WeakPolarHBondContact OD1-CB 3.43Å; N425-H428 PolarHBondContact OD1-CD2 3.45Å; N425-H428 VanDerWaalsContact OD1-CG 3.27Å; N425-H428 PolarHBondContact OD1-N 3.41Å; N425-L429 WeakPolarHBondContact O-CB 3.36Å; N425-L429 PolarHBondContact O-N 2.9Å |
| 426 | H | 93.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.2 | -37.7 | 174.6 | -62.5 | -14.6 | 0 | 0 | 0 | 113 | S304 T305 L429 I430 D448 L453 Y456 | S304-H426 PolarHBondContact O-CE1 3.41Å; S304-H426 WeakPolarHBondContact OG-CA 3.02Å; S304-H426 PolarHBondContact OG-N 3.46Å; S304-H426 PolarHBondContact OG-ND1 2.96Å; T305-H426 PolarHBondContact O-N 3Å; H426-L429 WeakPolarHBondContact O-CB 3.38Å; H426-L429 PolarHBondContact O-N 3.32Å; H426-I430 WeakPolarHBondContact O-CG1 3.43Å; H426-I430 PolarHBondContact O-N 2.78Å; H426-D448 PolarHBondContact CE1-O 3.43Å; H426-D448 PolarHBondContact NE2-O 3.24Å; H426-L453 HydrophobicContact CB-CD1 4.19Å; H426-Y456 HydrophobicContact CB-CD1 4.26Å; H426-Y456 HydrophobicContact CB-CD2 3.44Å; H426-Y456 VanDerWaalsContact CB-CD2 3.44Å; H426-Y456 HydrophobicContact CB-CE2 3.75Å; H426-Y456 HydrophobicContact CB-CG 3.72Å; H426-Y456 AromaticContact CD2-CD2 3.82Å; H426-Y456 AromaticContact CD2-CE2 3.62Å |
| 427 | A | 90 | Very high | 83.4 | Confident | 41 Ų | 41 | 37 Ų | 37 | 34% | 0.339 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.8 | -52.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N425 L429 I430 H431 Y456 | N425-A427 VanDerWaalsContact C-N 3.28Å; N425-A427 PolarHBondContact O-N 3.28Å; N425-A427 WeakPolarHBondContact OD1-CB 3.43Å; N425-A427 PolarHBondContact OD1-N 2.91Å; A427-L429 VanDerWaalsContact C-N 3.34Å; A427-I430 PolarHBondContact O-N 3.22Å; A427-H431 WeakPolarHBondContact O-CB 3.25Å; A427-H431 PolarHBondContact O-N 3.12Å; A427-Y456 HydrophobicContact CB-CD1 3.79Å; A427-Y456 HydrophobicContact CB-CE1 4.2Å |
| 428 | H | 89.9 | Confident | 83.2 | Confident | 32 Ų | 32 | 30.5 Ų | 30.5 | 15% | 0.148 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.9 | -30.2 | 177.5 | -63.8 | -52.8 | 0 | 0 | 0 | 112.4 | D340 T424 N425 I430 H431 S432 Y439 | D340-H428 IonicContact OD2-CE1 2.68Å; D340-H428 PolarHBondContact OD2-CE1 2.7Å; D340-H428 IonicContact OD2-NE2 2.98Å; T424-H428 WeakPolarHBondContact OG1-CB 3.47Å; N425-H428 VanDerWaalsContact CG-CD2 3.42Å; N425-H428 PolarHBondContact ND2-CD2 3.03Å; N425-H428 PolarHBondContact ND2-NE2 2.96Å; N425-H428 PolarHBondContact O-N 3.49Å; N425-H428 WeakPolarHBondContact OD1-CB 3.43Å; N425-H428 PolarHBondContact OD1-CD2 3.45Å; N425-H428 VanDerWaalsContact OD1-CG 3.27Å; N425-H428 PolarHBondContact OD1-N 3.41Å; H428-I430 VanDerWaalsContact C-N 3.31Å; H428-I430 PolarHBondContact O-N 3.47Å; H428-H431 PolarHBondContact O-N 3.42Å; H428-S432 WeakPolarHBondContact O-CA 3.23Å; H428-S432 VanDerWaalsContact O-CB 3.25Å; H428-S432 WeakPolarHBondContact O-CB 3.46Å; H428-S432 PolarHBondContact O-N 2.99Å; H428-Y439 VanDerWaalsContact CB-OH 3.26Å; H428-Y439 WeakPolarHBondContact CB-OH 3.38Å |
| 429 | L | 91.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 172.3 | -173.8 | 76 | 0 | 0 | 0 | 110.1 | M302 T424 N425 H426 A427 S432 V447 V640 F644 | M302-L429 HydrophobicContact CG-CD1 4.24Å; T424-L429 HydrophobicContact CG2-CB 4.14Å; T424-L429 HydrophobicContact CG2-CD1 4.08Å; N425-L429 WeakPolarHBondContact O-CB 3.36Å; N425-L429 PolarHBondContact O-N 2.9Å; H426-L429 WeakPolarHBondContact O-CB 3.38Å; H426-L429 PolarHBondContact O-N 3.32Å; A427-L429 VanDerWaalsContact C-N 3.34Å; L429-S432 PolarHBondContact O-OG 3.48Å; L429-V447 HydrophobicContact CD2-CG2 4.03Å; L429-V640 HydrophobicContact CD2-CG1 4.26Å; L429-V640 HydrophobicContact CD2-CG2 4.48Å; L429-F644 HydrophobicContact CD1-CE2 3.85Å; L429-F644 HydrophobicContact CD1-CZ 3.63Å; L429-F644 HydrophobicContact CG-CE2 4.48Å |
| 430 | I | 89.4 | Confident | 82.3 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -75.3 | -38 | -179.5 | -62.4 | 169.9 | 0 | 0 | 0 | 111.5 | H426 A427 H428 S432 L453 A457 Q460 V635 V640 | H426-I430 WeakPolarHBondContact O-CG1 3.43Å; H426-I430 PolarHBondContact O-N 2.78Å; A427-I430 PolarHBondContact O-N 3.22Å; H428-I430 VanDerWaalsContact C-N 3.31Å; H428-I430 PolarHBondContact O-N 3.47Å; I430-S432 PolarHBondContact O-N 3.45Å; I430-L453 HydrophobicContact CD1-CD1 3.85Å; I430-L453 HydrophobicContact CD1-CG 4.28Å; I430-L453 HydrophobicContact CG1-CD1 4.23Å; I430-A457 HydrophobicContact CD1-CB 4.03Å; I430-Q460 HydrophobicContact CG2-CB 4.02Å; I430-Q460 HydrophobicContact CG2-CG 3.91Å; I430-V635 HydrophobicContact CG2-CG1 3.51Å; I430-V640 HydrophobicContact CG1-CG2 4Å |
| 431 | H | 82 | Confident | 81.8 | Confident | 85 Ų | 85 | 38.3 Ų | 38.3 | 39% | 0.394 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 6.9 | -179.9 | -160.6 | 91.1 | 0 | 0 | 0 | 113.4 | A427 H428 D433 Q460 | A427-H431 WeakPolarHBondContact O-CB 3.25Å; A427-H431 PolarHBondContact O-N 3.12Å; H428-H431 PolarHBondContact O-N 3.42Å; H431-D433 PolarHBondContact O-N 3.37Å; H431-Q460 PolarHBondContact ND1-NE2 3.06Å; H431-Q460 PolarHBondContact ND1-OE1 2.74Å |
| 432 | S | 67.5 | Low | 81.6 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | trans | -72.4 | 84.6 | -174.9 | 51 | 0 | 0 | 0 | 0 | 110.7 | H428 L429 I430 Y439 K643 | H428-S432 WeakPolarHBondContact O-CA 3.23Å; H428-S432 VanDerWaalsContact O-CB 3.25Å; H428-S432 WeakPolarHBondContact O-CB 3.46Å; H428-S432 PolarHBondContact O-N 2.99Å; L429-S432 PolarHBondContact O-OG 3.48Å; I430-S432 PolarHBondContact O-N 3.45Å; S432-Y439 VanDerWaalsContact CB-CG 3.48Å; S432-K643 PolarHBondContact OG-NZ 2.56Å | ||
| 433 | D | 60.2 | Low | 81.5 | Confident | 92 Ų | 92 | 41.4 Ų | 41.4 | 49% | 0.492 | 22% | 0.22 | S | C | . | . | trans | -54.9 | 160.2 | 176.9 | -81.8 | -25.8 | 0 | 0 | 0 | 112.2 | H431 E435 N436 | H431-D433 PolarHBondContact O-N 3.37Å; D433-E435 PolarHBondContact O-N 3.26Å; D433-E435 VanDerWaalsContact O-N 3.08Å; D433-N436 PolarHBondContact O-N 3.33Å | ||
| 434 | V | 55.2 | Low | 81.6 | Confident | 129 Ų | 129 | 41.4 Ų | 41.4 | 78% | 0.782 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.7 | 171.4 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | N436 | V434-N436 VanDerWaalsContact C-N 3.32Å; V434-N436 PolarHBondContact O-N 2.96Å |
| 435 | E | 57.3 | Low | 81.8 | Confident | 164 Ų | 164 | 41.4 Ų | 41.4 | 77% | 0.766 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -25.8 | 176.7 | -65.3 | -161 | 168.8 | 0 | 0 | 113.7 | D433 S437 | D433-E435 PolarHBondContact O-N 3.26Å; D433-E435 VanDerWaalsContact O-N 3.08Å; E435-S437 VanDerWaalsContact C-N 3.27Å; E435-S437 PolarHBondContact O-N 3.35Å |
| 436 | N | 70 | Confident | 82.1 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | trans | -86.9 | 67.7 | -177 | -154.3 | -19.5 | 0 | 0 | 0 | 111 | K336 Y409 D433 V434 I438 Y439 | K336-N436 PolarHBondContact O-ND2 3.03Å; Y409-N436 WeakPolarHBondContact CE2-OD1 3.35Å; Y409-N436 WeakPolarHBondContact OH-CA 3.46Å; Y409-N436 PolarHBondContact OH-OD1 2.84Å; D433-N436 PolarHBondContact O-N 3.33Å; V434-N436 VanDerWaalsContact C-N 3.32Å; V434-N436 PolarHBondContact O-N 2.96Å; N436-I438 PolarHBondContact O-N 2.87Å; N436-Y439 HydrophobicContact CB-CD2 3.96Å; N436-Y439 HydrophobicContact CB-CE2 4.44Å; N436-Y439 WeakPolarHBondContact ND2-CE2 3.2Å; N436-Y439 PolarHBondContact O-N 2.91Å | ||
| 437 | S | 73.9 | Confident | 82.3 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -53.8 | -16.7 | -176.5 | 52.7 | 0 | 0 | 0 | 0 | 115.1 | K413 E435 Y439 Q440 | K413-S437 WeakPolarHBondContact CD-OG 3.47Å; K413-S437 WeakPolarHBondContact CE-OG 3.42Å; K413-S437 PolarHBondContact NZ-OG 3.39Å; E435-S437 VanDerWaalsContact C-N 3.27Å; E435-S437 PolarHBondContact O-N 3.35Å; S437-Y439 VanDerWaalsContact C-N 3.34Å; S437-Y439 PolarHBondContact O-N 2.89Å; S437-Q440 WeakPolarHBondContact O-CB 3.45Å; S437-Q440 PolarHBondContact O-N 3Å |
| 438 | I | 81 | Confident | 82.5 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -64.2 | -39.1 | 176 | -62.7 | 166.1 | 0 | 0 | 0 | 111.3 | I335 Y409 I412 K413 N436 Q440 L441 F442 | I335-I438 HydrophobicContact CD1-CG2 3.93Å; I335-I438 HydrophobicContact CG1-CG2 4.26Å; I335-I438 HydrophobicContact CG2-CB 4.33Å; I335-I438 HydrophobicContact CG2-CG2 3.78Å; Y409-I438 HydrophobicContact CD2-CD1 4.06Å; Y409-I438 HydrophobicContact CE1-CD1 4.34Å; Y409-I438 HydrophobicContact CE2-CD1 3.36Å; Y409-I438 HydrophobicContact CE2-CG1 4.32Å; I412-I438 HydrophobicContact CB-CD1 4.02Å; I412-I438 HydrophobicContact CG2-CD1 3.6Å; K413-I438 HydrophobicContact CB-CD1 4.12Å; K413-I438 HydrophobicContact CB-CG1 3.76Å; N436-I438 PolarHBondContact O-N 2.87Å; I438-Q440 PolarHBondContact O-N 3.25Å; I438-L441 WeakPolarHBondContact O-CB 3.26Å; I438-L441 VanDerWaalsContact O-CD1 3.3Å; I438-L441 WeakPolarHBondContact O-CD1 3.02Å; I438-L441 PolarHBondContact O-N 3.42Å; I438-L441 VanDerWaalsContact O-N 3.09Å; I438-F442 HydrophobicContact CG2-CE2 4.09Å; I438-F442 VanDerWaalsContact O-CD2 3.31Å; I438-F442 WeakPolarHBondContact O-CD2 3.49Å; I438-F442 WeakPolarHBondContact O-CE2 3.47Å |
| 439 | Y | 82.5 | Confident | 82.6 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -64.1 | -22.6 | 178.3 | -76.4 | -91.9 | 0 | 0 | 0 | 112.5 | M302 I335 T424 H428 S432 N436 S437 L441 F442 | M302-Y439 HydrophobicContact CE-CD1 3.78Å; M302-Y439 HydrophobicContact CE-CE1 3.85Å; M302-Y439 HydrophobicContact SD-CE1 4.44Å; I335-Y439 HydrophobicContact CG2-CD2 4.14Å; I335-Y439 HydrophobicContact CG2-CE1 4.41Å; I335-Y439 HydrophobicContact CG2-CE2 3.57Å; I335-Y439 PolarHBondContact O-OH 2.88Å; T424-Y439 HydrophobicContact CG2-CE1 4.24Å; T424-Y439 PolarHBondContact OG1-OH 3.03Å; H428-Y439 VanDerWaalsContact CB-OH 3.26Å; H428-Y439 WeakPolarHBondContact CB-OH 3.38Å; S432-Y439 VanDerWaalsContact CB-CG 3.48Å; N436-Y439 HydrophobicContact CB-CD2 3.96Å; N436-Y439 HydrophobicContact CB-CE2 4.44Å; N436-Y439 WeakPolarHBondContact ND2-CE2 3.2Å; N436-Y439 PolarHBondContact O-N 2.91Å; S437-Y439 VanDerWaalsContact C-N 3.34Å; S437-Y439 PolarHBondContact O-N 2.89Å; Y439-L441 PolarHBondContact O-N 3.3Å; Y439-F442 PolarHBondContact O-N 2.73Å |
| 440 | Q | 81 | Confident | 82.7 | Confident | 119 Ų | 119 | 38.8 Ų | 38.8 | 56% | 0.556 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -75.2 | -11.7 | 177.9 | -60.4 | 172.8 | -11.8 | 0 | 0 | 112.8 | S437 I438 | S437-Q440 WeakPolarHBondContact O-CB 3.45Å; S437-Q440 PolarHBondContact O-N 3Å; I438-Q440 PolarHBondContact O-N 3.25Å |
| 441 | L | 83 | Confident | 82.8 | Confident | 70 Ų | 70 | 40.4 Ų | 40.4 | 37% | 0.366 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -75.5 | -15 | 171.4 | -74.3 | 97.3 | 0 | 0 | 0 | 112.8 | A416 I438 Y439 | A416-L441 HydrophobicContact CB-CD1 3.43Å; A416-L441 VanDerWaalsContact CB-CD1 3.43Å; A416-L441 HydrophobicContact CB-CG 3.96Å; I438-L441 WeakPolarHBondContact O-CB 3.26Å; I438-L441 VanDerWaalsContact O-CD1 3.3Å; I438-L441 WeakPolarHBondContact O-CD1 3.02Å; I438-L441 PolarHBondContact O-N 3.42Å; I438-L441 VanDerWaalsContact O-N 3.09Å; Y439-L441 PolarHBondContact O-N 3.3Å |
| 442 | F | 91 | Very high | 83.2 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | trans | -107.5 | 100.2 | -174 | -59.2 | -88.2 | 0 | 0 | 0 | 109.7 | H300 V301 M302 I335 I419 G422 I438 Y439 D444 F644 | H300-F442 HydrophobicContact CB-CD1 3.66Å; H300-F442 HydrophobicContact CB-CE1 3.72Å; V301-F442 VanDerWaalsContact C-CD1 3.47Å; M302-F442 HydrophobicContact CB-CB 3.83Å; M302-F442 HydrophobicContact CB-CD1 4.03Å; M302-F442 HydrophobicContact CB-CG 3.97Å; M302-F442 HydrophobicContact CE-CB 4.36Å; M302-F442 HydrophobicContact CE-CD1 4.26Å; M302-F442 HydrophobicContact CE-CD2 3.37Å; M302-F442 HydrophobicContact CE-CE1 4.42Å; M302-F442 HydrophobicContact CE-CE2 3.56Å; M302-F442 HydrophobicContact CE-CG 3.74Å; M302-F442 HydrophobicContact CE-CZ 4.09Å; I335-F442 HydrophobicContact CG1-CE2 4.47Å; I419-F442 HydrophobicContact CG2-CZ 4.39Å; G422-F442 VanDerWaalsContact N-CE1 3.34Å; I438-F442 HydrophobicContact CG2-CE2 4.09Å; I438-F442 VanDerWaalsContact O-CD2 3.31Å; I438-F442 WeakPolarHBondContact O-CD2 3.49Å; I438-F442 WeakPolarHBondContact O-CE2 3.47Å; Y439-F442 PolarHBondContact O-N 2.73Å; F442-D444 VanDerWaalsContact C-N 3.31Å; F442-F644 WeakPolarHBondContact O-CD1 3.31Å; F442-F644 WeakPolarHBondContact O-CE1 3.31Å | ||
| 443 | D | 92.3 | Very high | 84.4 | Confident | 60 Ų | 60 | 38.3 Ų | 38.3 | 32% | 0.321 | 20% | 0.195 | S | C | . | . | trans | -77.2 | -20.8 | 174 | -82.5 | -23.2 | 0 | 0 | 0 | 112.2 | F644 K645 | D443-F644 CarbonylContact O-C 3.57Å; D443-F644 WeakPolarHBondContact O-CA 3.33Å; D443-K645 HydrophobicContact CB-CD 4.12Å; D443-K645 HydrophobicContact CB-CG 4.48Å; D443-K645 PolarHBondContact O-N 2.94Å; D443-K645 IonicContact OD1-NZ 3.81Å; D443-K645 IonicContact OD2-NZ 2.77Å; D443-K645 PolarHBondContact OD2-NZ 2.82Å | ||
| 444 | D | 96.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 136.1 | -170 | -55.2 | -66.5 | 0 | 0 | 0 | 111.1 | L266 Y293 M302 F442 S646 | L266-D444 HydrophobicContact CD2-CB 3.93Å; Y293-D444 HydrophobicContact CE1-CB 4.35Å; Y293-D444 WeakPolarHBondContact CE1-OD2 3.44Å; Y293-D444 PolarHBondContact OH-OD2 3.12Å; Y293-D444 VanDerWaalsContact OH-OD2 3.09Å; M302-D444 PolarHBondContact N-O 3.05Å; F442-D444 VanDerWaalsContact C-N 3.31Å; D444-S646 WeakPolarHBondContact CA-O 3.19Å; D444-S646 WeakPolarHBondContact OD1-CB 3.38Å; D444-S646 PolarHBondContact OD1-N 2.86Å; D444-S646 VanDerWaalsContact OD1-N 3.11Å; D444-S646 PolarHBondContact OD1-OG 3.39Å |
| 445 | C | 97.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 139.1 | -171.3 | -173 | 0 | 0 | 0 | 0 | 113.7 | M302 F644 S646 L647 I648 | M302-C445 HydrophobicContact CB-CB 4.31Å; M302-C445 CarbonylContact O-C 3.56Å; M302-C445 VanDerWaalsContact O-CA 3.3Å; M302-C445 WeakPolarHBondContact O-CA 3.38Å; C445-F644 HydrophobicContact CB-CB 4.19Å; C445-F644 HydrophobicContact CB-CD1 3.52Å; C445-F644 HydrophobicContact CB-CD2 3.6Å; C445-F644 HydrophobicContact CB-CE1 3.69Å; C445-F644 HydrophobicContact CB-CE2 3.78Å; C445-F644 HydrophobicContact CB-CG 3.47Å; C445-F644 VanDerWaalsContact CB-CG 3.47Å; C445-F644 HydrophobicContact CB-CZ 3.82Å; C445-S646 PolarHBondContact N-O 2.82Å; C445-L647 HydrophobicContact CB-CD1 3.99Å; C445-L647 WeakPolarHBondContact O-CA 3.42Å; C445-I648 PolarHBondContact O-N 2.9Å |
| 446 | I | 98.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.6 | 171.5 | -54.1 | 172.6 | 0 | 0 | 0 | 108 | I262 L266 Y286 A290 V301 M302 I303 S304 I648 I650 | I262-I446 HydrophobicContact CG2-CD1 3.73Å; I262-I446 HydrophobicContact CG2-CG1 4.39Å; L266-I446 HydrophobicContact CD1-CD1 4.34Å; Y286-I446 HydrophobicContact CG-CG2 4.45Å; A290-I446 HydrophobicContact CB-CD1 4.44Å; V301-I446 HydrophobicContact CG1-CD1 3.92Å; V301-I446 HydrophobicContact CG1-CG1 4.01Å; M302-I446 PolarHBondContact O-N 3.5Å; I303-I446 CarbonylContact C-O 3.46Å; I303-I446 WeakPolarHBondContact CA-O 3.47Å; S304-I446 PolarHBondContact N-O 2.65Å; I446-I648 CarbonylContact C-O 3.36Å; I446-I648 WeakPolarHBondContact CA-O 3.33Å; I446-I648 HydrophobicContact CG1-CB 4.49Å; I446-I648 HydrophobicContact CG1-CD1 4.33Å; I446-I650 HydrophobicContact CG2-CG2 4.39Å |
| 447 | V | 97.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 106.2 | -179.1 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | L429 A450 L453 L647 I648 F649 I650 | L429-V447 HydrophobicContact CD2-CG2 4.03Å; V447-A450 HydrophobicContact CB-CB 4.42Å; V447-A450 HydrophobicContact CG1-CB 4Å; V447-L453 HydrophobicContact CG1-CD1 4.39Å; V447-L647 HydrophobicContact CG2-CD1 4.01Å; V447-I648 PolarHBondContact N-O 3.17Å; V447-F649 HydrophobicContact CB-CD1 3.82Å; V447-F649 HydrophobicContact CB-CE1 4.23Å; V447-F649 HydrophobicContact CG1-CD1 4.2Å; V447-F649 HydrophobicContact CG1-CE1 4.5Å; V447-F649 HydrophobicContact CG2-CD1 4.14Å; V447-F649 HydrophobicContact CG2-CE1 4.08Å; V447-I650 PolarHBondContact O-N 2.95Å |
| 448 | D | 95.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 145.4 | 176.8 | -173.2 | 26.4 | 0 | 0 | 0 | 112.1 | K282 Y286 S304 L310 H426 A450 I650 | K282-D448 IonicContact NZ-OD1 3.84Å; K282-D448 PolarHBondContact NZ-OD1 3.26Å; Y286-D448 HydrophobicContact CE1-CB 4.05Å; S304-D448 PolarHBondContact O-N 3.13Å; L310-D448 WeakPolarHBondContact CD2-OD2 3.41Å; H426-D448 PolarHBondContact CE1-O 3.43Å; H426-D448 PolarHBondContact NE2-O 3.24Å; D448-A450 PolarHBondContact O-N 2.64Å; D448-I650 CarbonylContact C-O 3.59Å; D448-I650 HydrophobicContact CB-CG2 3.98Å |
| 449 | E | 91.4 | Very high | 92 | Very high | 37 Ų | 37 | 27.7 Ų | 27.7 | 17% | 0.173 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 40.4 | -167.9 | -57.1 | -58.9 | 163.5 | 0 | 0 | 112.6 | K282 N306 H451 R452 I650 S651 | K282-E449 IonicContact NZ-OE1 3.76Å; K282-E449 PolarHBondContact NZ-OE1 3.07Å; K282-E449 IonicContact NZ-OE2 3.16Å; N306-E449 HydrophobicContact CB-CB 3.92Å; N306-E449 HydrophobicContact CB-CG 4.47Å; E449-H451 PolarHBondContact O-N 3.1Å; E449-H451 PolarHBondContact O-ND1 3.44Å; E449-H451 IonicContact OE2-CE1 3.28Å; E449-H451 PolarHBondContact OE2-CE1 3.25Å; E449-H451 IonicContact OE2-ND1 2.63Å; E449-H451 PolarHBondContact OE2-ND1 3.02Å; E449-R452 PolarHBondContact O-N 2.94Å; E449-I650 PolarHBondContact N-O 3.21Å; E449-S651 PolarHBondContact OE2-OG 2.9Å |
| 450 | A | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -53.5 | -22.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V447 D448 R452 L453 F649 I650 L654 F663 | V447-A450 HydrophobicContact CB-CB 4.42Å; V447-A450 HydrophobicContact CG1-CB 4Å; D448-A450 PolarHBondContact O-N 2.64Å; A450-R452 PolarHBondContact O-N 3.42Å; A450-L453 WeakPolarHBondContact O-CB 3.18Å; A450-L453 PolarHBondContact O-N 2.76Å; A450-F649 HydrophobicContact CB-CB 3.69Å; A450-F649 HydrophobicContact CB-CD1 3.64Å; A450-F649 HydrophobicContact CB-CG 4.1Å; A450-I650 PolarHBondContact N-O 3Å; A450-I650 VanDerWaalsContact N-O 3.12Å; A450-L654 HydrophobicContact CB-CD2 4.15Å; A450-F663 HydrophobicContact CB-CZ 4Å; A450-F663 VanDerWaalsContact O-CE2 3.27Å; A450-F663 WeakPolarHBondContact O-CE2 3.43Å; A450-F663 WeakPolarHBondContact O-CZ 3.32Å |
| 451 | H | 89.9 | Confident | 93 | Very high | 36 Ų | 36 | 25.5 Ų | 25.5 | 17% | 0.167 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -57.3 | -18.4 | 173.2 | 75.5 | -80.2 | 0 | 0 | 0 | 113.8 | E449 S651 T653 L654 Q837 | E449-H451 PolarHBondContact O-N 3.1Å; E449-H451 PolarHBondContact O-ND1 3.44Å; E449-H451 IonicContact OE2-CE1 3.28Å; E449-H451 PolarHBondContact OE2-CE1 3.25Å; E449-H451 IonicContact OE2-ND1 2.63Å; E449-H451 PolarHBondContact OE2-ND1 3.02Å; H451-S651 PolarHBondContact ND1-OG 3.31Å; H451-T653 WeakPolarHBondContact CB-O 3.06Å; H451-L654 HydrophobicContact CB-CD2 4.4Å; H451-Q837 PolarHBondContact CE1-NE2 3.41Å; H451-Q837 PolarHBondContact NE2-NE2 3.29Å |
| 452 | R | 90.7 | Very high | 93.5 | Very high | 46 Ų | 46 | 23.3 Ų | 23.3 | 17% | 0.174 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -90.3 | -11.7 | 177.5 | -58.2 | -64.5 | -100.7 | -157.4 | -12 | 114.2 | E449 A450 P454 D455 Y456 E785 | E449-R452 PolarHBondContact O-N 2.94Å; A450-R452 PolarHBondContact O-N 3.42Å; R452-P454 VanDerWaalsContact C-N 3.32Å; R452-D455 WeakPolarHBondContact O-CB 3.14Å; R452-D455 PolarHBondContact O-N 2.89Å; R452-D455 VanDerWaalsContact O-N 3.1Å; R452-Y456 HydrophobicContact CB-CE2 4.12Å; R452-Y456 VanDerWaalsContact O-CD2 3.26Å; R452-Y456 WeakPolarHBondContact O-CD2 3.17Å; R452-E785 IonicContact CZ-OE1 2.96Å; R452-E785 IonicContact CZ-OE2 3.16Å; R452-E785 VanDerWaalsContact CZ-OE2 3.32Å; R452-E785 VanDerWaalsContact NH1-CD 3.3Å; R452-E785 IonicContact NH1-OE1 3.41Å; R452-E785 PolarHBondContact NH1-OE1 3Å; R452-E785 IonicContact NH1-OE2 3.23Å; R452-E785 PolarHBondContact NH1-OE2 3.12Å; R452-E785 IonicContact NH2-OE1 3Å; R452-E785 IonicContact NH2-OE2 3.65Å; R452-E785 PolarHBondContact NH2-OE2 3.01Å |
| 453 | L | 93 | Very high | 93.7 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.4 | -39 | -177 | -163.6 | 72 | 0 | 0 | 0 | 113.9 | H426 I430 V447 A450 D455 Y456 A457 L636 V640 F649 | H426-L453 HydrophobicContact CB-CD1 4.19Å; I430-L453 HydrophobicContact CD1-CD1 3.85Å; I430-L453 HydrophobicContact CD1-CG 4.28Å; I430-L453 HydrophobicContact CG1-CD1 4.23Å; V447-L453 HydrophobicContact CG1-CD1 4.39Å; A450-L453 WeakPolarHBondContact O-CB 3.18Å; A450-L453 PolarHBondContact O-N 2.76Å; L453-D455 VanDerWaalsContact C-N 3.29Å; L453-D455 PolarHBondContact O-N 2.9Å; L453-Y456 PolarHBondContact O-N 3.33Å; L453-A457 PolarHBondContact O-N 3.11Å; L453-L636 HydrophobicContact CB-CD2 4.42Å; L453-L636 HydrophobicContact CD2-CD2 3.62Å; L453-L636 HydrophobicContact CG-CD2 3.58Å; L453-V640 HydrophobicContact CD2-CG1 4.1Å; L453-V640 HydrophobicContact CD2-CG2 4.27Å; L453-F649 HydrophobicContact CD2-CE1 3.81Å; L453-F649 HydrophobicContact CD2-CZ 4.49Å |
| 454 | P | 92.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 7% | 0.065 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.2 | -34 | 177.6 | -27 | 39.2 | 0 | 0 | 0 | 114 | R452 Y456 A457 L458 L636 L666 | R452-P454 VanDerWaalsContact C-N 3.32Å; P454-Y456 VanDerWaalsContact C-N 3.33Å; P454-Y456 PolarHBondContact O-N 3.41Å; P454-A457 PolarHBondContact O-N 2.87Å; P454-L458 VanDerWaalsContact O-CB 3.32Å; P454-L458 WeakPolarHBondContact O-CB 3.16Å; P454-L458 PolarHBondContact O-N 3.12Å; P454-L636 HydrophobicContact CG-CD1 4.48Å; P454-L666 HydrophobicContact CB-CD2 4.47Å; P454-L666 HydrophobicContact CG-CD1 3.47Å; P454-L666 VanDerWaalsContact CG-CD1 3.47Å; P454-L666 HydrophobicContact CG-CD2 4.15Å; P454-L666 HydrophobicContact CG-CG 4.4Å |
| 455 | D | 90.6 | Very high | 93.9 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 12% | 0.118 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 178 | -74.5 | -41.1 | 0 | 0 | 0 | 111.4 | R452 L453 N459 K811 | R452-D455 WeakPolarHBondContact O-CB 3.14Å; R452-D455 PolarHBondContact O-N 2.89Å; R452-D455 VanDerWaalsContact O-N 3.1Å; L453-D455 VanDerWaalsContact C-N 3.29Å; L453-D455 PolarHBondContact O-N 2.9Å; D455-N459 VanDerWaalsContact O-CG 3.26Å; D455-N459 PolarHBondContact O-N 3.36Å; D455-N459 VanDerWaalsContact O-N 3.13Å; D455-N459 PolarHBondContact O-ND2 3.42Å; D455-K811 VanDerWaalsContact CG-NZ 3.27Å; D455-K811 IonicContact OD1-NZ 3.36Å; D455-K811 PolarHBondContact OD1-NZ 3.16Å; D455-K811 IonicContact OD2-NZ 3.07Å |
| 456 | Y | 92.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 25.8 Ų | 25.8 | 23% | 0.231 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72 | -37.4 | 177.4 | -66.9 | -81.1 | 0 | 0 | 0 | 111.9 | N306 H426 A427 R452 L453 P454 N459 Q460 | N306-Y456 PolarHBondContact O-OH 2.74Å; N306-Y456 VanDerWaalsContact O-OH 3.1Å; N306-Y456 VanDerWaalsContact OD1-CE2 3.27Å; N306-Y456 WeakPolarHBondContact OD1-CE2 3.3Å; N306-Y456 PolarHBondContact OD1-OH 2.92Å; H426-Y456 HydrophobicContact CB-CD1 4.26Å; H426-Y456 HydrophobicContact CB-CD2 3.44Å; H426-Y456 VanDerWaalsContact CB-CD2 3.44Å; H426-Y456 HydrophobicContact CB-CE2 3.75Å; H426-Y456 HydrophobicContact CB-CG 3.72Å; H426-Y456 AromaticContact CD2-CD2 3.82Å; H426-Y456 AromaticContact CD2-CE2 3.62Å; A427-Y456 HydrophobicContact CB-CD1 3.79Å; A427-Y456 HydrophobicContact CB-CE1 4.2Å; R452-Y456 HydrophobicContact CB-CE2 4.12Å; R452-Y456 VanDerWaalsContact O-CD2 3.26Å; R452-Y456 WeakPolarHBondContact O-CD2 3.17Å; L453-Y456 PolarHBondContact O-N 3.33Å; P454-Y456 VanDerWaalsContact C-N 3.33Å; P454-Y456 PolarHBondContact O-N 3.41Å; Y456-N459 PolarHBondContact O-N 3.22Å; Y456-Q460 PolarHBondContact O-N 3.47Å |
| 457 | A | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.5 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I430 L453 P454 N459 Q460 V461 V632 L636 | I430-A457 HydrophobicContact CD1-CB 4.03Å; L453-A457 PolarHBondContact O-N 3.11Å; P454-A457 PolarHBondContact O-N 2.87Å; A457-N459 PolarHBondContact O-N 3.32Å; A457-Q460 WeakPolarHBondContact O-CB 3.24Å; A457-Q460 PolarHBondContact O-N 2.83Å; A457-Q460 VanDerWaalsContact O-N 3.17Å; A457-V461 WeakPolarHBondContact O-CG2 3.32Å; A457-V461 PolarHBondContact O-N 3.41Å; A457-V632 HydrophobicContact CB-CG1 3.76Å; A457-L636 HydrophobicContact CB-CD1 4.35Å; A457-L636 HydrophobicContact CB-CD2 3.57Å; A457-L636 HydrophobicContact CB-CG 3.69Å |
| 458 | L | 94.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.6 | -46.3 | 174.2 | 178.6 | 60 | 0 | 0 | 0 | 111.8 | P454 Q460 V461 T462 V632 K811 L814 M815 | P454-L458 VanDerWaalsContact O-CB 3.32Å; P454-L458 WeakPolarHBondContact O-CB 3.16Å; P454-L458 PolarHBondContact O-N 3.12Å; L458-Q460 VanDerWaalsContact C-N 3.28Å; L458-Q460 PolarHBondContact O-N 3.27Å; L458-V461 HydrophobicContact CD1-CG2 4.43Å; L458-V461 WeakPolarHBondContact O-CG2 3.37Å; L458-V461 PolarHBondContact O-N 3.01Å; L458-T462 WeakPolarHBondContact O-CB 3.41Å; L458-T462 PolarHBondContact O-N 3.49Å; L458-T462 PolarHBondContact O-OG1 2.9Å; L458-V632 HydrophobicContact CB-CG2 4.17Å; L458-V632 HydrophobicContact CD1-CG2 3.9Å; L458-K811 HydrophobicContact CD2-CB 4.15Å; L458-K811 HydrophobicContact CD2-CD 4.49Å; L458-K811 HydrophobicContact CD2-CG 3.92Å; L458-L814 HydrophobicContact CD1-CB 3.72Å; L458-L814 HydrophobicContact CD1-CD1 4.02Å; L458-L814 HydrophobicContact CG-CD1 4.44Å; L458-M815 HydrophobicContact CB-SD 4.43Å; L458-M815 HydrophobicContact CD1-SD 3.92Å; L458-M815 HydrophobicContact CD2-CG 4.06Å; L458-M815 HydrophobicContact CD2-SD 4.13Å; L458-M815 HydrophobicContact CG-SD 4.39Å |
| 459 | N | 92.3 | Very high | 93.4 | Very high | 106 Ų | 106 | 31.8 Ų | 31.8 | 57% | 0.567 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -61.8 | -37.5 | 176.3 | -68.3 | -18 | 0 | 0 | 0 | 112 | D455 Y456 A457 T462 | D455-N459 VanDerWaalsContact O-CG 3.26Å; D455-N459 PolarHBondContact O-N 3.36Å; D455-N459 VanDerWaalsContact O-N 3.13Å; D455-N459 PolarHBondContact O-ND2 3.42Å; Y456-N459 PolarHBondContact O-N 3.22Å; A457-N459 PolarHBondContact O-N 3.32Å; N459-T462 PolarHBondContact O-N 3.49Å |
| 460 | Q | 90.8 | Very high | 93.6 | Very high | 75 Ų | 75 | 30 Ų | 30 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68.3 | -37.1 | 179.9 | -178.3 | 70.6 | 6.1 | 0 | 0 | 112.9 | I430 H431 Y456 A457 L458 T462 V635 | I430-Q460 HydrophobicContact CG2-CB 4.02Å; I430-Q460 HydrophobicContact CG2-CG 3.91Å; H431-Q460 PolarHBondContact ND1-NE2 3.06Å; H431-Q460 PolarHBondContact ND1-OE1 2.74Å; Y456-Q460 PolarHBondContact O-N 3.47Å; A457-Q460 WeakPolarHBondContact O-CB 3.24Å; A457-Q460 PolarHBondContact O-N 2.83Å; A457-Q460 VanDerWaalsContact O-N 3.17Å; L458-Q460 VanDerWaalsContact C-N 3.28Å; L458-Q460 PolarHBondContact O-N 3.27Å; Q460-T462 VanDerWaalsContact C-N 3.29Å; Q460-V635 HydrophobicContact CG-CG1 4.5Å |
| 461 | V | 93 | Very high | 93.5 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -84.9 | -2.8 | 179.3 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | A457 L458 K628 D629 Y630 V632 V635 | A457-V461 WeakPolarHBondContact O-CG2 3.32Å; A457-V461 PolarHBondContact O-N 3.41Å; L458-V461 HydrophobicContact CD1-CG2 4.43Å; L458-V461 WeakPolarHBondContact O-CG2 3.37Å; L458-V461 PolarHBondContact O-N 3.01Å; V461-K628 HydrophobicContact CG2-CG 3.98Å; V461-K628 CarbonylContact O-C 3.35Å; V461-K628 WeakPolarHBondContact O-CA 3.32Å; V461-D629 PolarHBondContact O-N 2.85Å; V461-Y630 WeakPolarHBondContact CB-O 3.42Å; V461-V632 HydrophobicContact CG2-CG2 3.7Å; V461-V635 HydrophobicContact CG1-CB 3.95Å; V461-V635 HydrophobicContact CG1-CG2 3.28Å |
| 462 | T | 95 | Very high | 93.5 | Very high | 23 Ų | 23 | 34.1 Ų | 34.1 | 14% | 0.141 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 108.3 | -177.5 | -54.8 | 0 | 0 | 0 | 0 | 110 | L458 N459 Q460 Y626 V627 L814 | L458-T462 WeakPolarHBondContact O-CB 3.41Å; L458-T462 PolarHBondContact O-N 3.49Å; L458-T462 PolarHBondContact O-OG1 2.9Å; N459-T462 PolarHBondContact O-N 3.49Å; Q460-T462 VanDerWaalsContact C-N 3.29Å; T462-Y626 HydrophobicContact CG2-CD1 3.88Å; T462-V627 CarbonylContact C-O 3.47Å; T462-V627 WeakPolarHBondContact CA-O 3.21Å; T462-L814 HydrophobicContact CG2-CD1 4.1Å |
| 463 | N | 94 | Very high | 93.5 | Very high | 53 Ų | 53 | 32 Ų | 32 | 28% | 0.283 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 142.4 | 170.8 | -81.3 | -28.8 | 0 | 0 | 0 | 111.5 | I600 Y626 V627 D629 | N463-I600 HydrophobicContact CB-CD1 3.93Å; N463-Y626 WeakPolarHBondContact O-CA 3.42Å; N463-V627 PolarHBondContact N-O 3.42Å; N463-V627 PolarHBondContact O-N 3.29Å; N463-D629 VanDerWaalsContact CB-OD2 3.28Å; N463-D629 WeakPolarHBondContact CB-OD2 3.41Å; N463-D629 PolarHBondContact N-OD2 3.06Å; N463-D629 PolarHBondContact ND2-OD1 3.01Å; N463-D629 VanDerWaalsContact ND2-OD1 3.11Å; N463-D629 PolarHBondContact ND2-OD2 3.33Å |
| 464 | E | 95.4 | Very high | 93.5 | Very high | 61 Ų | 61 | 32 Ų | 32 | 29% | 0.285 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.3 | 177.9 | -177.8 | -176.5 | 148.2 | 0 | 0 | 111.2 | S466 K596 R624 L625 Y626 | E464-S466 WeakPolarHBondContact OE1-CB 3.45Å; E464-K596 WeakPolarHBondContact O-CE 3.47Å; E464-K596 PolarHBondContact O-NZ 3.39Å; E464-R624 HydrophobicContact CG-CB 4.4Å; E464-R624 WeakPolarHBondContact OE1-CD 3.47Å; E464-R624 IonicContact OE1-CZ 3.79Å; E464-R624 IonicContact OE1-NE 2.65Å; E464-R624 PolarHBondContact OE1-NE 3.03Å; E464-R624 IonicContact OE1-NH1 3.72Å; E464-R624 PolarHBondContact OE1-NH1 3.11Å; E464-R624 IonicContact OE2-NH1 2.83Å; E464-L625 WeakPolarHBondContact CA-O 3.38Å; E464-Y626 HydrophobicContact CB-CD1 3.95Å; E464-Y626 HydrophobicContact CB-CE1 3.68Å; E464-Y626 HydrophobicContact CG-CD1 4.08Å; E464-Y626 HydrophobicContact CG-CE1 3.55Å; E464-Y626 WeakPolarHBondContact OE2-CE1 3.41Å; E464-Y626 VanDerWaalsContact OE2-CZ 3.28Å; E464-Y626 PolarHBondContact OE2-OH 3.23Å |
| 465 | L | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 106.4 | 166.3 | -168.8 | 70 | 0 | 0 | 0 | 110 | I470 L525 F526 L561 K596 F597 I600 R624 L625 | L465-I470 HydrophobicContact CD1-CD1 3.71Å; L465-I470 HydrophobicContact CD1-CG1 3.66Å; L465-I470 HydrophobicContact CG-CG1 4.43Å; L465-L525 HydrophobicContact CD2-CD2 4Å; L465-F526 HydrophobicContact CG-CZ 4.28Å; L465-L561 HydrophobicContact CD2-CD2 4.04Å; L465-K596 HydrophobicContact CD1-CD 4.47Å; L465-K596 HydrophobicContact CD1-CG 4Å; L465-F597 HydrophobicContact CD1-CD1 3.95Å; L465-F597 HydrophobicContact CD1-CE1 3.91Å; L465-F597 HydrophobicContact CD2-CD1 4.17Å; L465-F597 HydrophobicContact CD2-CE1 4.2Å; L465-I600 HydrophobicContact CB-CD1 4.14Å; L465-I600 HydrophobicContact CB-CG1 4.07Å; L465-I600 HydrophobicContact CD2-CG2 4.43Å; L465-R624 WeakPolarHBondContact O-CA 3.42Å; L465-L625 HydrophobicContact CB-CB 4.32Å; L465-L625 PolarHBondContact N-O 2.86Å; L465-L625 PolarHBondContact O-N 2.89Å |
| 466 | S | 96.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.9 | -178.4 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | E464 A468 D469 I470 | E464-S466 WeakPolarHBondContact OE1-CB 3.45Å; S466-A468 VanDerWaalsContact C-N 3.31Å; S466-A468 PolarHBondContact O-N 2.96Å; S466-A468 PolarHBondContact OG-N 2.91Å; S466-D469 PolarHBondContact O-N 2.91Å; S466-I470 WeakPolarHBondContact O-CG1 3.43Å; S466-I470 PolarHBondContact O-N 3.04Å |
| 467 | Y | 97.3 | Very high | 93.1 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 12% | 0.118 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56 | -48.9 | 173.2 | 178.3 | -85.4 | 0 | 0 | 0 | 110.9 | D469 I470 K471 E523 F526 S621 I623 | Y467-D469 PolarHBondContact O-N 2.81Å; Y467-I470 PolarHBondContact O-N 3.33Å; Y467-K471 HydrophobicContact CD1-CB 4.43Å; Y467-K471 HydrophobicContact CE1-CB 4.19Å; Y467-K471 HydrophobicContact CE1-CG 4.25Å; Y467-K471 WeakPolarHBondContact O-CB 3.35Å; Y467-K471 PolarHBondContact O-N 2.89Å; Y467-E523 PolarHBondContact OH-OE1 2.9Å; Y467-E523 PolarHBondContact OH-OE2 3.28Å; Y467-F526 HydrophobicContact CD2-CB 3.7Å; Y467-F526 HydrophobicContact CD2-CD1 4.05Å; Y467-F526 AromaticContact CD2-CD2 3.65Å; Y467-F526 HydrophobicContact CD2-CD2 3.65Å; Y467-F526 HydrophobicContact CD2-CE2 4.27Å; Y467-F526 AromaticContact CD2-CG 3.53Å; Y467-F526 HydrophobicContact CD2-CG 3.53Å; Y467-F526 HydrophobicContact CE2-CB 4.29Å; Y467-F526 HydrophobicContact CE2-CD2 4.46Å; Y467-F526 HydrophobicContact CE2-CG 4.47Å; Y467-F526 HydrophobicContact CG-CD1 4.44Å; Y467-F526 HydrophobicContact CG-CD2 4.46Å; Y467-F526 HydrophobicContact CG-CG 4.32Å; Y467-F526 VanDerWaalsContact N-CE1 3.33Å; Y467-S621 VanDerWaalsContact CD1-CA 3.44Å; Y467-I623 PolarHBondContact N-O 2.88Å; Y467-I623 VanDerWaalsContact N-O 3.12Å |
| 468 | A | 92.9 | Very high | 92.6 | Very high | 57 Ų | 57 | 29.1 Ų | 29.1 | 47% | 0.471 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.8 | -43.6 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | S466 Y472 | S466-A468 VanDerWaalsContact C-N 3.31Å; S466-A468 PolarHBondContact O-N 2.96Å; S466-A468 PolarHBondContact OG-N 2.91Å; A468-Y472 VanDerWaalsContact O-CB 3.32Å; A468-Y472 WeakPolarHBondContact O-CB 3.41Å; A468-Y472 PolarHBondContact O-N 2.81Å |
| 469 | D | 92.6 | Very high | 91.6 | Very high | 41 Ų | 41 | 33.3 Ų | 33.3 | 22% | 0.219 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.9 | -51.2 | 177.8 | -179.8 | 60.3 | 0 | 0 | 0 | 111.6 | S466 Y467 K471 Y472 Q473 Y592 K596 | S466-D469 PolarHBondContact O-N 2.91Å; Y467-D469 PolarHBondContact O-N 2.81Å; D469-K471 VanDerWaalsContact C-N 3.28Å; D469-K471 PolarHBondContact O-N 3.42Å; D469-Y472 WeakPolarHBondContact O-CA 3.41Å; D469-Y472 WeakPolarHBondContact O-CB 3.4Å; D469-Y472 PolarHBondContact O-N 2.99Å; D469-Q473 WeakPolarHBondContact O-CG 3.46Å; D469-Q473 PolarHBondContact O-N 3.2Å; D469-Y592 PolarHBondContact OD2-OH 2.88Å; D469-K596 IonicContact OD2-NZ 2.7Å; D469-K596 PolarHBondContact OD2-NZ 3.38Å |
| 470 | I | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -39.3 | 179.6 | -63.5 | -58.1 | 0 | 0 | 0 | 111.4 | L465 S466 Y467 Y472 Q473 L474 N522 L593 K596 F597 | L465-I470 HydrophobicContact CD1-CD1 3.71Å; L465-I470 HydrophobicContact CD1-CG1 3.66Å; L465-I470 HydrophobicContact CG-CG1 4.43Å; S466-I470 WeakPolarHBondContact O-CG1 3.43Å; S466-I470 PolarHBondContact O-N 3.04Å; Y467-I470 PolarHBondContact O-N 3.33Å; I470-Y472 VanDerWaalsContact C-N 3.31Å; I470-Y472 PolarHBondContact O-N 3.18Å; I470-Q473 PolarHBondContact O-N 2.87Å; I470-L474 HydrophobicContact CG2-CD1 3.85Å; I470-L474 HydrophobicContact CG2-CG 4.22Å; I470-L474 WeakPolarHBondContact O-CB 3.5Å; I470-L474 WeakPolarHBondContact O-CG 3.45Å; I470-L474 PolarHBondContact O-N 3.29Å; I470-N522 WeakPolarHBondContact CG2-OD1 2.96Å; I470-L593 HydrophobicContact CD1-CD2 3.93Å; I470-L593 HydrophobicContact CG2-CD2 4.25Å; I470-K596 HydrophobicContact CD1-CD 3.76Å; I470-K596 HydrophobicContact CD1-CG 4.24Å; I470-F597 HydrophobicContact CD1-CZ 4.2Å; I470-F597 HydrophobicContact CG1-CZ 4.33Å; I470-F597 HydrophobicContact CG2-CE2 4.42Å; I470-F597 HydrophobicContact CG2-CZ 3.74Å |
| 471 | K | 92.2 | Very high | 88.3 | Confident | 65 Ų | 65 | 34.1 Ų | 34.1 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 175.3 | -167.9 | 68.3 | 167.4 | -158.9 | 0 | 111.7 | Y467 D469 G475 E523 | Y467-K471 HydrophobicContact CD1-CB 4.43Å; Y467-K471 HydrophobicContact CE1-CB 4.19Å; Y467-K471 HydrophobicContact CE1-CG 4.25Å; Y467-K471 WeakPolarHBondContact O-CB 3.35Å; Y467-K471 PolarHBondContact O-N 2.89Å; D469-K471 VanDerWaalsContact C-N 3.28Å; D469-K471 PolarHBondContact O-N 3.42Å; K471-G475 WeakPolarHBondContact O-CA 3.3Å; K471-G475 PolarHBondContact O-N 3.48Å; K471-E523 IonicContact NZ-OE1 3.81Å; K471-E523 PolarHBondContact NZ-OE1 3.28Å |
| 472 | Y | 90.6 | Very high | 86.2 | Confident | 58 Ų | 58 | 40.8 Ų | 40.8 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -48.7 | 173.9 | 169 | -101.6 | 0 | 0 | 0 | 111.2 | M390 Q394 E397 A468 D469 I470 G475 L476 | M390-Y472 HydrophobicContact CE-CE2 4.42Å; Q394-Y472 WeakPolarHBondContact CA-OH 3.39Å; Q394-Y472 WeakPolarHBondContact CB-OH 3.45Å; E397-Y472 WeakPolarHBondContact OE2-CE1 3.42Å; A468-Y472 VanDerWaalsContact O-CB 3.32Å; A468-Y472 WeakPolarHBondContact O-CB 3.41Å; A468-Y472 PolarHBondContact O-N 2.81Å; D469-Y472 WeakPolarHBondContact O-CA 3.41Å; D469-Y472 WeakPolarHBondContact O-CB 3.4Å; D469-Y472 PolarHBondContact O-N 2.99Å; I470-Y472 VanDerWaalsContact C-N 3.31Å; I470-Y472 PolarHBondContact O-N 3.18Å; Y472-G475 CarbonylContact O-C 3.57Å; Y472-G475 VanDerWaalsContact O-C 3.3Å; Y472-G475 WeakPolarHBondContact O-CA 3.03Å; Y472-G475 PolarHBondContact O-N 3.33Å; Y472-L476 HydrophobicContact CE1-CD1 3.81Å; Y472-L476 HydrophobicContact CE1-CD2 4.39Å; Y472-L476 HydrophobicContact CE1-CG 4.12Å; Y472-L476 HydrophobicContact CE2-CD2 3.95Å; Y472-L476 HydrophobicContact CE2-CG 4.45Å; Y472-L476 PolarHBondContact O-N 2.89Å |
| 473 | Q | 91.8 | Very high | 84.6 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.9 | -46.8 | -177.7 | -66.2 | -66.4 | -20.2 | 0 | 0 | 112.6 | E397 D469 I470 G475 L476 I477 Q589 Y592 L593 | E397-Q473 PolarHBondContact OE1-NE2 2.91Å; E397-Q473 PolarHBondContact OE2-NE2 2.99Å; E397-Q473 PolarHBondContact OE2-OE1 3.4Å; D469-Q473 WeakPolarHBondContact O-CG 3.46Å; D469-Q473 PolarHBondContact O-N 3.2Å; I470-Q473 PolarHBondContact O-N 2.87Å; Q473-G475 PolarHBondContact O-N 3.01Å; Q473-L476 WeakPolarHBondContact O-CB 3.3Å; Q473-L476 PolarHBondContact O-N 2.96Å; Q473-I477 PolarHBondContact O-N 3.45Å; Q473-Q589 VanDerWaalsContact OE1-OE1 3.12Å; Q473-Y592 HydrophobicContact CB-CE1 4.46Å; Q473-Y592 HydrophobicContact CG-CD1 4.28Å; Q473-Y592 HydrophobicContact CG-CE1 3.71Å; Q473-L593 HydrophobicContact CB-CD2 3.77Å; Q473-L593 HydrophobicContact CB-CG 4.39Å |
| 474 | L | 92.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -37.9 | 169.7 | -68.2 | 170.8 | 0 | 0 | 0 | 111.1 | I470 L476 I477 G478 M515 I518 H519 N522 L593 | I470-L474 HydrophobicContact CG2-CD1 3.85Å; I470-L474 HydrophobicContact CG2-CG 4.22Å; I470-L474 WeakPolarHBondContact O-CB 3.5Å; I470-L474 WeakPolarHBondContact O-CG 3.45Å; I470-L474 PolarHBondContact O-N 3.29Å; L474-L476 VanDerWaalsContact C-N 3.26Å; L474-L476 PolarHBondContact O-N 3.29Å; L474-I477 PolarHBondContact O-N 3.23Å; L474-I477 VanDerWaalsContact O-N 3.14Å; L474-G478 PolarHBondContact O-N 3.32Å; L474-M515 HydrophobicContact CD2-CE 4.2Å; L474-I518 HydrophobicContact CD2-CG2 3.55Å; L474-H519 WeakPolarHBondContact CB-CE1 3.33Å; L474-N522 HydrophobicContact CD1-CB 3.94Å; L474-L593 HydrophobicContact CD2-CD1 3.52Å; L474-L593 HydrophobicContact CG-CD1 4.15Å; L474-L593 HydrophobicContact CG-CD2 4.42Å |
| 475 | G | 89.5 | Confident | 83.7 | Confident | 21 Ų | 21 | 46 Ų | 46 | 22% | 0.216 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.1 | -31.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K471 Y472 Q473 I477 K484 | K471-G475 WeakPolarHBondContact O-CA 3.3Å; K471-G475 PolarHBondContact O-N 3.48Å; Y472-G475 CarbonylContact O-C 3.57Å; Y472-G475 VanDerWaalsContact O-C 3.3Å; Y472-G475 WeakPolarHBondContact O-CA 3.03Å; Y472-G475 PolarHBondContact O-N 3.33Å; Q473-G475 PolarHBondContact O-N 3.01Å; G475-I477 VanDerWaalsContact C-N 3.33Å; G475-K484 WeakPolarHBondContact O-CD 3.15Å; G475-K484 VanDerWaalsContact O-CE 3.25Å; G475-K484 WeakPolarHBondContact O-CE 3.19Å; G475-K484 PolarHBondContact O-NZ 2.93Å |
| 476 | L | 87.3 | Confident | 83.2 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69 | -31.1 | 175.3 | -65.9 | -170.2 | 0 | 0 | 0 | 112.7 | Q394 E397 Y472 Q473 L474 K484 | Q394-L476 HydrophobicContact CB-CD2 4.26Å; Q394-L476 HydrophobicContact CG-CD1 4.49Å; Q394-L476 HydrophobicContact CG-CD2 3.54Å; E397-L476 HydrophobicContact CB-CD1 4.43Å; E397-L476 WeakPolarHBondContact OE2-CD1 3.4Å; Y472-L476 HydrophobicContact CE1-CD1 3.81Å; Y472-L476 HydrophobicContact CE1-CD2 4.39Å; Y472-L476 HydrophobicContact CE1-CG 4.12Å; Y472-L476 HydrophobicContact CE2-CD2 3.95Å; Y472-L476 HydrophobicContact CE2-CG 4.45Å; Y472-L476 PolarHBondContact O-N 2.89Å; Q473-L476 WeakPolarHBondContact O-CB 3.3Å; Q473-L476 PolarHBondContact O-N 2.96Å; L474-L476 VanDerWaalsContact C-N 3.26Å; L474-L476 PolarHBondContact O-N 3.29Å; L476-K484 VanDerWaalsContact O-CB 3.23Å; L476-K484 WeakPolarHBondContact O-CB 3.37Å |
| 477 | I | 90.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74 | -47.1 | 174.7 | -58.6 | 172.1 | 0 | 0 | 0 | 109.6 | Q473 L474 G475 L485 L486 M515 L586 Q589 L590 L593 | Q473-I477 PolarHBondContact O-N 3.45Å; L474-I477 PolarHBondContact O-N 3.23Å; L474-I477 VanDerWaalsContact O-N 3.14Å; G475-I477 VanDerWaalsContact C-N 3.33Å; I477-L485 PolarHBondContact O-N 3.09Å; I477-L486 HydrophobicContact CG2-CD2 4.37Å; I477-L486 HydrophobicContact CG2-CG 4.05Å; I477-L486 WeakPolarHBondContact O-CG 3.46Å; I477-L486 PolarHBondContact O-N 2.97Å; I477-M515 HydrophobicContact CB-CE 4.03Å; I477-M515 HydrophobicContact CD1-CE 3.91Å; I477-M515 HydrophobicContact CG2-CE 3.62Å; I477-M515 HydrophobicContact CG2-CG 4.28Å; I477-M515 HydrophobicContact CG2-SD 3.92Å; I477-L586 HydrophobicContact CG2-CD1 4.09Å; I477-L586 HydrophobicContact CG2-CG 4.44Å; I477-Q589 HydrophobicContact CD1-CB 4.06Å; I477-Q589 HydrophobicContact CG1-CB 3.93Å; I477-L590 HydrophobicContact CD1-CD2 3.8Å; I477-L590 HydrophobicContact CD1-CG 4.26Å; I477-L593 HydrophobicContact CD1-CD1 3.76Å |
| 478 | G | 84.3 | Confident | 82.3 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | trans | 99.9 | 161.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L474 L486 | L474-G478 PolarHBondContact O-N 3.32Å; G478-L486 WeakPolarHBondContact O-CD1 3.31Å | ||
| 479 | K | 72.1 | Confident | 82.2 | Confident | 92 Ų | 92 | 46.9 Ų | 46.9 | 40% | 0.4 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -99.9 | -46.4 | 173.3 | -72.2 | -170.8 | 173.9 | -157.1 | 0 | 112.6 | H519 | K479-H519 VanDerWaalsContact CE-CE1 3.47Å; K479-H519 WeakPolarHBondContact CE-CE1 3.47Å; K479-H519 VanDerWaalsContact CE-ND1 3.27Å; K479-H519 WeakPolarHBondContact CE-ND1 3.39Å; K479-H519 VanDerWaalsContact CG-CD2 3.47Å; K479-H519 WeakPolarHBondContact CG-CD2 3.01Å; K479-H519 VanDerWaalsContact CG-NE2 3.26Å; K479-H519 WeakPolarHBondContact CG-NE2 3.41Å |
| 480 | N | 61.7 | Low | 82 | Confident | 98 Ų | 98 | 45.7 Ų | 45.7 | 52% | 0.524 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -125.5 | -179.3 | -175.4 | -65.5 | -9.1 | 0 | 0 | 0 | 110 | N482 | N480-N482 PolarHBondContact O-N 2.96Š|
| 481 | E | 51.8 | Low | 81.7 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 47% | 0.467 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -59 | -4.1 | -179.5 | -63.9 | 178.7 | -179.1 | 0 | 0 | 115.6 | E483 K512 | E481-E483 PolarHBondContact O-N 2.94Å; E481-E483 VanDerWaalsContact O-N 3.13Å; E481-K512 IonicContact OE1-NZ 2.76Å; E481-K512 PolarHBondContact OE1-NZ 3.47Å |
| 482 | N | 49.2 | Very low | 81.7 | Confident | 141 Ų | 141 | 47.5 Ų | 47.5 | 75% | 0.754 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -78.6 | 100.8 | 179.4 | -68.8 | -9.4 | 0 | 0 | 0 | 110.9 | N480 | N480-N482 PolarHBondContact O-N 2.96Š|
| 483 | E | 62.8 | Low | 81.6 | Confident | 139 Ų | 139 | 45.6 Ų | 45.6 | 65% | 0.65 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 54.4 | 164.3 | 170.4 | -60.1 | -172.9 | 166.2 | 0 | 0 | 115.5 | E481 | E481-E483 PolarHBondContact O-N 2.94Å; E481-E483 VanDerWaalsContact O-N 3.13Å |
| 484 | K | 82.1 | Confident | 81.6 | Confident | 89 Ų | 89 | 50.6 Ų | 50.6 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 77.1 | -152.8 | 176.7 | -38.7 | -171.2 | -175 | -170.8 | 0 | 116.7 | G475 L476 K487 A488 | G475-K484 WeakPolarHBondContact O-CD 3.15Å; G475-K484 VanDerWaalsContact O-CE 3.25Å; G475-K484 WeakPolarHBondContact O-CE 3.19Å; G475-K484 PolarHBondContact O-NZ 2.93Å; L476-K484 VanDerWaalsContact O-CB 3.23Å; L476-K484 WeakPolarHBondContact O-CB 3.37Å; K484-K487 PolarHBondContact O-N 2.96Å; K484-A488 PolarHBondContact O-N 3.31Å; K484-A488 VanDerWaalsContact O-N 3.14Å |
| 485 | L | 86.6 | Confident | 81.4 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 9% | 0.089 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.9 | -38.5 | -161.9 | -62.9 | 176.6 | 0 | 0 | 0 | 113.5 | T398 I477 K487 A488 I489 S585 L586 Q589 | T398-L485 HydrophobicContact CG2-CD1 4.1Å; T398-L485 HydrophobicContact CG2-CD2 4.29Å; T398-L485 HydrophobicContact CG2-CG 4.48Å; I477-L485 PolarHBondContact O-N 3.09Å; L485-K487 VanDerWaalsContact C-N 3.32Å; L485-K487 PolarHBondContact O-N 3.47Å; L485-A488 PolarHBondContact O-N 3.05Å; L485-I489 WeakPolarHBondContact O-CG1 2.97Å; L485-I489 PolarHBondContact O-N 3.33Å; L485-S585 VanDerWaalsContact CD2-OG 3.29Å; L485-S585 WeakPolarHBondContact CD2-OG 3.13Å; L485-L586 HydrophobicContact CB-CB 4.39Å; L485-L586 HydrophobicContact CB-CD1 4.2Å; L485-L586 HydrophobicContact CD1-CB 4.49Å; L485-Q589 HydrophobicContact CD1-CB 4.34Å; L485-Q589 HydrophobicContact CD1-CG 3.69Å |
| 486 | L | 89 | Confident | 81.4 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -40 | 174.8 | -75.8 | -178.8 | 0 | 0 | 0 | 112.2 | I477 G478 A488 I489 D490 L511 M515 L586 | I477-L486 HydrophobicContact CG2-CD2 4.37Å; I477-L486 HydrophobicContact CG2-CG 4.05Å; I477-L486 WeakPolarHBondContact O-CG 3.46Å; I477-L486 PolarHBondContact O-N 2.97Å; G478-L486 WeakPolarHBondContact O-CD1 3.31Å; L486-A488 VanDerWaalsContact C-N 3.33Å; L486-A488 PolarHBondContact O-N 2.73Å; L486-I489 PolarHBondContact O-N 3.1Å; L486-D490 PolarHBondContact O-N 3.02Å; L486-L511 HydrophobicContact CD2-CD1 4.45Å; L486-L511 HydrophobicContact CD2-CD2 3.5Å; L486-L511 HydrophobicContact CD2-CG 3.7Å; L486-M515 HydrophobicContact CD1-CB 4.43Å; L486-M515 HydrophobicContact CD1-CG 4.2Å; L486-M515 HydrophobicContact CD2-CG 4.27Å; L486-L586 HydrophobicContact CD2-CD1 3.96Å |
| 487 | K | 86.7 | Confident | 81.4 | Confident | 77 Ų | 77 | 61.4 Ų | 61.4 | 34% | 0.335 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 174.3 | -174.9 | -179.5 | -179.5 | 179.1 | 0 | 111.5 | K484 L485 I489 D490 Q491 | K484-K487 PolarHBondContact O-N 2.96Å; L485-K487 VanDerWaalsContact C-N 3.32Å; L485-K487 PolarHBondContact O-N 3.47Å; K487-I489 VanDerWaalsContact C-N 3.29Å; K487-I489 PolarHBondContact O-N 2.98Å; K487-D490 PolarHBondContact O-N 2.93Å; K487-Q491 WeakPolarHBondContact O-CB 3.31Å; K487-Q491 WeakPolarHBondContact O-CG 3.4Å; K487-Q491 PolarHBondContact O-N 3.31Å |
| 488 | A | 87.8 | Confident | 81.4 | Confident | 29 Ų | 29 | 68.3 Ų | 68.3 | 24% | 0.24 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.3 | -33.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K484 L485 L486 L492 T582 | K484-A488 PolarHBondContact O-N 3.31Å; K484-A488 VanDerWaalsContact O-N 3.14Å; L485-A488 PolarHBondContact O-N 3.05Å; L486-A488 VanDerWaalsContact C-N 3.33Å; L486-A488 PolarHBondContact O-N 2.73Å; A488-L492 WeakPolarHBondContact O-CB 3.01Å; A488-L492 PolarHBondContact O-N 3.29Å; A488-T582 HydrophobicContact CB-CG2 3.47Å; A488-T582 VanDerWaalsContact CB-CG2 3.47Å |
| 489 | I | 90.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.5 | -42.2 | 172.2 | -66.9 | -63.7 | 0 | 0 | 0 | 111.5 | L485 L486 K487 Q491 L492 E493 I506 I508 L511 T582 V583 L586 | L485-I489 WeakPolarHBondContact O-CG1 2.97Å; L485-I489 PolarHBondContact O-N 3.33Å; L486-I489 PolarHBondContact O-N 3.1Å; K487-I489 VanDerWaalsContact C-N 3.29Å; K487-I489 PolarHBondContact O-N 2.98Å; I489-Q491 PolarHBondContact O-N 2.96Å; I489-L492 WeakPolarHBondContact O-CB 3.38Å; I489-L492 PolarHBondContact O-N 3.04Å; I489-E493 PolarHBondContact O-N 3.36Å; I489-I506 HydrophobicContact CG2-CD1 4.17Å; I489-I506 HydrophobicContact CG2-CG2 3.83Å; I489-I508 HydrophobicContact CG2-CG1 4.39Å; I489-L511 HydrophobicContact CG2-CD2 4.14Å; I489-T582 HydrophobicContact CD1-CG2 3.8Å; I489-T582 HydrophobicContact CG1-CG2 4.31Å; I489-V583 HydrophobicContact CD1-CB 4.37Å; I489-V583 HydrophobicContact CD1-CG2 3.59Å; I489-L586 HydrophobicContact CG1-CD1 3.92Å |
| 490 | D | 88.9 | Confident | 82.2 | Confident | 17 Ų | 17 | 78.1 Ų | 78.1 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.7 | -44 | 175.1 | 178 | 58.1 | 0 | 0 | 0 | 112.1 | L486 K487 L492 E493 K494 I508 | L486-D490 PolarHBondContact O-N 3.02Å; K487-D490 PolarHBondContact O-N 2.93Å; D490-L492 PolarHBondContact O-N 3.44Å; D490-E493 PolarHBondContact O-N 3.37Å; D490-K494 WeakPolarHBondContact O-CG 3.43Å; D490-K494 PolarHBondContact O-N 3.28Å; D490-K494 IonicContact OD1-NZ 3.4Å; D490-K494 WeakPolarHBondContact OD2-CE 3.35Å; D490-K494 IonicContact OD2-NZ 3.92Å; D490-K494 PolarHBondContact OD2-NZ 3.11Å; D490-I508 HydrophobicContact CB-CD1 4.29Å |
| 491 | Q | 89 | Confident | 83.2 | Confident | 99 Ų | 99 | 76 Ų | 76 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 173.2 | -73.2 | 176.6 | -20.4 | 0 | 0 | 112.4 | K487 I489 K494 Q495 | K487-Q491 WeakPolarHBondContact O-CB 3.31Å; K487-Q491 WeakPolarHBondContact O-CG 3.4Å; K487-Q491 PolarHBondContact O-N 3.31Å; I489-Q491 PolarHBondContact O-N 2.96Å; Q491-K494 PolarHBondContact O-N 3.46Å; Q491-Q495 WeakPolarHBondContact O-CB 3.25Å; Q491-Q495 WeakPolarHBondContact O-CG 3.33Å; Q491-Q495 PolarHBondContact O-N 2.98Å |
| 492 | L | 90.4 | Very high | 84.9 | Confident | 3 Ų | 3 | 79.5 Ų | 79.5 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 177 | 177.5 | 63.6 | 0 | 0 | 0 | 111.8 | A488 I489 D490 Q495 R496 L501 I503 I506 H580 V583 | A488-L492 WeakPolarHBondContact O-CB 3.01Å; A488-L492 PolarHBondContact O-N 3.29Å; I489-L492 WeakPolarHBondContact O-CB 3.38Å; I489-L492 PolarHBondContact O-N 3.04Å; D490-L492 PolarHBondContact O-N 3.44Å; L492-Q495 PolarHBondContact O-N 3.48Å; L492-R496 WeakPolarHBondContact O-CB 3.28Å; L492-R496 PolarHBondContact O-N 2.56Å; L492-L501 HydrophobicContact CD1-CD1 4.25Å; L492-I503 HydrophobicContact CD1-CD1 3.94Å; L492-I506 HydrophobicContact CD2-CD1 4.04Å; L492-H580 VanDerWaalsContact CD1-CE1 3.43Å; L492-H580 WeakPolarHBondContact CD1-CE1 3.27Å; L492-H580 HydrophobicContact CD2-CB 4.19Å; L492-H580 VanDerWaalsContact CD2-ND1 3.26Å; L492-H580 WeakPolarHBondContact CD2-ND1 3.45Å; L492-V583 HydrophobicContact CD2-CG2 3.95Å |
| 493 | E | 90.2 | Very high | 86.6 | Confident | 19 Ų | 19 | 74.4 Ų | 74.4 | 9% | 0.089 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 177.7 | -175.7 | 58.6 | -156.1 | 0 | 0 | 111.4 | I489 D490 Q495 R496 I497 I506 I508 | I489-E493 PolarHBondContact O-N 3.36Å; D490-E493 PolarHBondContact O-N 3.37Å; E493-Q495 PolarHBondContact O-N 3.16Å; E493-R496 WeakPolarHBondContact O-CB 3.24Å; E493-R496 PolarHBondContact O-N 2.97Å; E493-R496 IonicContact OE1-CZ 2.77Å; E493-R496 VanDerWaalsContact OE1-CZ 3.25Å; E493-R496 IonicContact OE1-NE 3.76Å; E493-R496 PolarHBondContact OE1-NE 2.88Å; E493-R496 IonicContact OE1-NH2 3.94Å; E493-R496 PolarHBondContact OE1-NH2 2.82Å; E493-R496 WeakPolarHBondContact OE2-CD 3.38Å; E493-R496 IonicContact OE2-CZ 2.81Å; E493-R496 IonicContact OE2-NE 3.67Å; E493-R496 PolarHBondContact OE2-NE 3.07Å; E493-I497 HydrophobicContact CG-CD1 4.33Å; E493-I497 WeakPolarHBondContact O-CG1 3.27Å; E493-I497 PolarHBondContact O-N 3.22Å; E493-I506 PolarHBondContact OE2-N 3.24Å; E493-I506 VanDerWaalsContact OE2-N 3.12Å; E493-I508 HydrophobicContact CB-CD1 3.41Å; E493-I508 VanDerWaalsContact CB-CD1 3.41Å; E493-I508 HydrophobicContact CB-CG1 4.32Å; E493-I508 HydrophobicContact CG-CD1 3.61Å; E493-I508 HydrophobicContact CG-CG1 4.42Å |
| 494 | K | 89.9 | Confident | 87.7 | Confident | 106 Ų | 106 | 70.2 Ų | 70.2 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.4 | -47 | 171.9 | -73.8 | 168.2 | 178.5 | 164.8 | 0 | 111.4 | D490 Q491 I497 L498 | D490-K494 WeakPolarHBondContact O-CG 3.43Å; D490-K494 PolarHBondContact O-N 3.28Å; D490-K494 IonicContact OD1-NZ 3.4Å; D490-K494 WeakPolarHBondContact OD2-CE 3.35Å; D490-K494 IonicContact OD2-NZ 3.92Å; D490-K494 PolarHBondContact OD2-NZ 3.11Å; Q491-K494 PolarHBondContact O-N 3.46Å; K494-I497 PolarHBondContact O-N 3.21Å; K494-L498 WeakPolarHBondContact O-CB 3.36Å; K494-L498 VanDerWaalsContact O-CG 3.29Å; K494-L498 WeakPolarHBondContact O-CG 3.44Å; K494-L498 PolarHBondContact O-N 3.34Å |
| 495 | Q | 88.8 | Confident | 87.9 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 42% | 0.421 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 175.6 | -76.6 | 178.7 | -26 | 0 | 0 | 112 | Q491 L492 E493 I497 L498 E499 L501 | Q491-Q495 WeakPolarHBondContact O-CB 3.25Å; Q491-Q495 WeakPolarHBondContact O-CG 3.33Å; Q491-Q495 PolarHBondContact O-N 2.98Å; L492-Q495 PolarHBondContact O-N 3.48Å; E493-Q495 PolarHBondContact O-N 3.16Å; Q495-I497 VanDerWaalsContact C-N 3.28Å; Q495-I497 PolarHBondContact O-N 3.09Å; Q495-L498 PolarHBondContact O-N 3.36Å; Q495-E499 WeakPolarHBondContact O-CA 3.34Å; Q495-E499 VanDerWaalsContact O-CB 3.25Å; Q495-E499 WeakPolarHBondContact O-CB 3.21Å; Q495-E499 PolarHBondContact O-N 3.42Å; Q495-L501 HydrophobicContact CB-CD1 4.11Å |
| 496 | R | 89.3 | Confident | 88 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.4 | -42.6 | 176.6 | -171.2 | -165.6 | 77 | 72.4 | 3.5 | 111.6 | L492 E493 K500 L501 I503 | L492-R496 WeakPolarHBondContact O-CB 3.28Å; L492-R496 PolarHBondContact O-N 2.56Å; E493-R496 WeakPolarHBondContact O-CB 3.24Å; E493-R496 PolarHBondContact O-N 2.97Å; E493-R496 IonicContact OE1-CZ 2.77Å; E493-R496 VanDerWaalsContact OE1-CZ 3.25Å; E493-R496 IonicContact OE1-NE 3.76Å; E493-R496 PolarHBondContact OE1-NE 2.88Å; E493-R496 IonicContact OE1-NH2 3.94Å; E493-R496 PolarHBondContact OE1-NH2 2.82Å; E493-R496 WeakPolarHBondContact OE2-CD 3.38Å; E493-R496 IonicContact OE2-CZ 2.81Å; E493-R496 IonicContact OE2-NE 3.67Å; E493-R496 PolarHBondContact OE2-NE 3.07Å; R496-K500 WeakPolarHBondContact O-CA 3.5Å; R496-K500 PolarHBondContact O-N 3.11Å; R496-L501 HydrophobicContact CB-CB 4.39Å; R496-L501 HydrophobicContact CG-CB 4.24Å; R496-L501 PolarHBondContact O-N 3.18Å; R496-I503 VanDerWaalsContact CD-O 3.31Å; R496-I503 WeakPolarHBondContact CD-O 3.42Å; R496-I503 HydrophobicContact CG-CB 4.19Å |
| 497 | I | 88.5 | Confident | 88 | Confident | 107 Ų | 107 | 74.2 Ų | 74.2 | 55% | 0.549 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.8 | -47.2 | 178.3 | -64.5 | 165.5 | 0 | 0 | 0 | 111.2 | E493 K494 Q495 | E493-I497 HydrophobicContact CG-CD1 4.33Å; E493-I497 WeakPolarHBondContact O-CG1 3.27Å; E493-I497 PolarHBondContact O-N 3.22Å; K494-I497 PolarHBondContact O-N 3.21Å; Q495-I497 VanDerWaalsContact C-N 3.28Å; Q495-I497 PolarHBondContact O-N 3.09Å |
| 498 | L | 90 | Very high | 88 | Confident | 145 Ų | 145 | 71.8 Ų | 71.8 | 76% | 0.759 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -72.7 | -43.3 | -175.1 | -68.7 | 171.7 | 0 | 0 | 0 | 112.9 | K494 Q495 | K494-L498 WeakPolarHBondContact O-CB 3.36Å; K494-L498 VanDerWaalsContact O-CG 3.29Å; K494-L498 WeakPolarHBondContact O-CG 3.44Å; K494-L498 PolarHBondContact O-N 3.34Å; Q495-L498 PolarHBondContact O-N 3.36Å |
| 499 | E | 89.6 | Confident | 88.1 | Confident | 122 Ų | 122 | 78.3 Ų | 78.3 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -98 | -1.3 | -174.9 | -57 | 176.7 | -168.2 | 0 | 0 | 112.8 | Q495 L501 | Q495-E499 WeakPolarHBondContact O-CA 3.34Å; Q495-E499 VanDerWaalsContact O-CB 3.25Å; Q495-E499 WeakPolarHBondContact O-CB 3.21Å; Q495-E499 PolarHBondContact O-N 3.42Å; E499-L501 VanDerWaalsContact C-N 3.31Å; E499-L501 HydrophobicContact CB-CD2 4.17Å; E499-L501 HydrophobicContact CB-CG 4.24Å; E499-L501 PolarHBondContact O-N 2.95Å |
| 500 | K | 84.4 | Confident | 88.1 | Confident | 184 Ų | 184 | 79 Ų | 79 | 80% | 0.8 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 44.9 | -177.9 | -59.6 | -178.5 | 179.5 | 178.9 | 0 | 113 | R496 | R496-K500 WeakPolarHBondContact O-CA 3.5Å; R496-K500 PolarHBondContact O-N 3.11Å |
| 501 | L | 82.8 | Confident | 88.2 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 29% | 0.288 | 40% | 0.395 | S | S | . | . | trans | -61.6 | 138.7 | 176.6 | -56.5 | 176.5 | 0 | 0 | 0 | 110.3 | L492 Q495 R496 E499 I503 | L492-L501 HydrophobicContact CD1-CD1 4.25Å; Q495-L501 HydrophobicContact CB-CD1 4.11Å; R496-L501 HydrophobicContact CB-CB 4.39Å; R496-L501 HydrophobicContact CG-CB 4.24Å; R496-L501 PolarHBondContact O-N 3.18Å; E499-L501 VanDerWaalsContact C-N 3.31Å; E499-L501 HydrophobicContact CB-CD2 4.17Å; E499-L501 HydrophobicContact CB-CG 4.24Å; E499-L501 PolarHBondContact O-N 2.95Å; L501-I503 HydrophobicContact CB-CD1 3.99Å; L501-I503 HydrophobicContact CB-CG1 4.06Å; L501-I503 HydrophobicContact CD1-CD1 4.11Å; L501-I503 PolarHBondContact O-N 3.4Å | ||
| 502 | D | 85.6 | Confident | 88.3 | Confident | 173 Ų | 173 | 75.6 Ų | 75.6 | 93% | 0.925 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -75.5 | 68.2 | 176.2 | -171.9 | 29 | 0 | 0 | 0 | 111.1 | ||
| 503 | I | 85.1 | Confident | 88.4 | Confident | 33 Ų | 33 | 77.2 Ų | 77.2 | 17% | 0.169 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -132.6 | 141.1 | 179.6 | -52.1 | 175.8 | 0 | 0 | 0 | 106.7 | L492 R496 L501 I578 H580 | L492-I503 HydrophobicContact CD1-CD1 3.94Å; R496-I503 VanDerWaalsContact CD-O 3.31Å; R496-I503 WeakPolarHBondContact CD-O 3.42Å; R496-I503 HydrophobicContact CG-CB 4.19Å; L501-I503 HydrophobicContact CB-CD1 3.99Å; L501-I503 HydrophobicContact CB-CG1 4.06Å; L501-I503 HydrophobicContact CD1-CD1 4.11Å; L501-I503 PolarHBondContact O-N 3.4Å; I503-I578 HydrophobicContact CG2-CG2 3.73Å; I503-H580 HydrophobicContact CD1-CB 4.22Å |
| 504 | A | 86.4 | Confident | 88.5 | Confident | 51 Ų | 51 | 77 Ų | 77 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 146.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I578 | A504-I578 HydrophobicContact CB-CD1 4.28Å; A504-I578 HydrophobicContact CB-CG1 4.13Å |
| 505 | P | 86.6 | Confident | 88.7 | Confident | 94 Ų | 94 | 71.9 Ų | 71.9 | 61% | 0.61 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 138.9 | 176.6 | 25.4 | -33.8 | 0 | 0 | 0 | 111.3 | ||
| 506 | I | 88.2 | Confident | 88.9 | Confident | 10 Ų | 10 | 70.4 Ų | 70.4 | 5% | 0.051 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -103.7 | 122.5 | 178.9 | -54.6 | 173.5 | 0 | 0 | 0 | 109 | I489 L492 E493 I508 F575 I578 V583 | I489-I506 HydrophobicContact CG2-CD1 4.17Å; I489-I506 HydrophobicContact CG2-CG2 3.83Å; L492-I506 HydrophobicContact CD2-CD1 4.04Å; E493-I506 PolarHBondContact OE2-N 3.24Å; E493-I506 VanDerWaalsContact OE2-N 3.12Å; I506-I508 VanDerWaalsContact C-N 3.31Å; I506-I508 PolarHBondContact O-N 3.3Å; I506-F575 HydrophobicContact CG2-CE1 4.07Å; I506-I578 HydrophobicContact CG1-CD1 3.91Å; I506-V583 HydrophobicContact CD1-CG2 3.9Å |
| 507 | D | 88.3 | Confident | 89.2 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 49% | 0.492 | 38% | 0.378 | S | S | . | . | trans | -72.6 | 84.6 | 172.2 | -179.9 | 12.3 | 0 | 0 | 0 | 110.8 | F509 G510 L511 | D507-F509 VanDerWaalsContact C-N 3.29Å; D507-F509 PolarHBondContact O-N 3.1Å; D507-F509 PolarHBondContact OD1-N 3.31Å; D507-G510 PolarHBondContact OD1-N 2.97Å; D507-G510 WeakPolarHBondContact OD2-CA 3.43Å; D507-G510 PolarHBondContact OD2-N 3.46Å; D507-L511 VanDerWaalsContact O-CB 3.25Å; D507-L511 WeakPolarHBondContact O-CB 3.36Å; D507-L511 PolarHBondContact O-N 3.39Å | ||
| 508 | I | 88.5 | Confident | 89.6 | Confident | 26 Ų | 26 | 66.8 Ų | 66.8 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 179.1 | -66.3 | 168.7 | 0 | 0 | 0 | 111.3 | I489 D490 E493 I506 L511 K512 | I489-I508 HydrophobicContact CG2-CG1 4.39Å; D490-I508 HydrophobicContact CB-CD1 4.29Å; E493-I508 HydrophobicContact CB-CD1 3.41Å; E493-I508 VanDerWaalsContact CB-CD1 3.41Å; E493-I508 HydrophobicContact CB-CG1 4.32Å; E493-I508 HydrophobicContact CG-CD1 3.61Å; E493-I508 HydrophobicContact CG-CG1 4.42Å; I506-I508 VanDerWaalsContact C-N 3.31Å; I506-I508 PolarHBondContact O-N 3.3Å; I508-L511 PolarHBondContact O-N 2.95Å; I508-K512 HydrophobicContact CG2-CD 3.95Å; I508-K512 HydrophobicContact CG2-CG 4.32Å; I508-K512 WeakPolarHBondContact O-CB 3.36Å; I508-K512 VanDerWaalsContact O-CG 3.29Å; I508-K512 WeakPolarHBondContact O-CG 3.38Å; I508-K512 PolarHBondContact O-N 3.4Å |
| 509 | F | 88.4 | Confident | 89.9 | Confident | 166 Ų | 166 | 60 Ų | 60 | 73% | 0.728 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.7 | -49.2 | -176.9 | -175.8 | -90.1 | 0 | 0 | 0 | 110.6 | D507 L511 K512 A513 | D507-F509 VanDerWaalsContact C-N 3.29Å; D507-F509 PolarHBondContact O-N 3.1Å; D507-F509 PolarHBondContact OD1-N 3.31Å; F509-L511 VanDerWaalsContact C-N 3.28Å; F509-L511 PolarHBondContact O-N 3.28Å; F509-K512 PolarHBondContact O-N 2.89Å; F509-A513 PolarHBondContact O-N 3.48Å |
| 510 | G | 90.4 | Very high | 90.2 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -36.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D507 S514 | D507-G510 PolarHBondContact OD1-N 2.97Å; D507-G510 WeakPolarHBondContact OD2-CA 3.43Å; D507-G510 PolarHBondContact OD2-N 3.46Å; G510-S514 VanDerWaalsContact O-CB 3.28Å; G510-S514 WeakPolarHBondContact O-CB 3.36Å; G510-S514 PolarHBondContact O-N 2.95Å; G510-S514 PolarHBondContact O-OG 2.97Å |
| 511 | L | 91.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 172.7 | 178.5 | 62.4 | 0 | 0 | 0 | 112 | L486 I489 D507 I508 F509 S514 M515 T571 I574 F575 L586 | L486-L511 HydrophobicContact CD2-CD1 4.45Å; L486-L511 HydrophobicContact CD2-CD2 3.5Å; L486-L511 HydrophobicContact CD2-CG 3.7Å; I489-L511 HydrophobicContact CG2-CD2 4.14Å; D507-L511 VanDerWaalsContact O-CB 3.25Å; D507-L511 WeakPolarHBondContact O-CB 3.36Å; D507-L511 PolarHBondContact O-N 3.39Å; I508-L511 PolarHBondContact O-N 2.95Å; F509-L511 VanDerWaalsContact C-N 3.28Å; F509-L511 PolarHBondContact O-N 3.28Å; L511-S514 PolarHBondContact O-N 3.32Å; L511-M515 HydrophobicContact CD1-CG 4.33Å; L511-M515 WeakPolarHBondContact O-CG 3.29Å; L511-M515 PolarHBondContact O-N 3.34Å; L511-T571 HydrophobicContact CD1-CG2 3.77Å; L511-I574 HydrophobicContact CB-CD1 4.33Å; L511-I574 HydrophobicContact CD1-CD1 4.41Å; L511-F575 HydrophobicContact CD1-CE2 3.9Å; L511-F575 HydrophobicContact CD1-CZ 3.6Å; L511-F575 HydrophobicContact CD2-CE1 4.17Å; L511-F575 HydrophobicContact CD2-CZ 3.61Å; L511-F575 HydrophobicContact CG-CZ 4.21Å; L511-L586 HydrophobicContact CD2-CD1 4.38Å |
| 512 | K | 90.3 | Very high | 91.5 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 19% | 0.191 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 178.4 | -76.1 | 171.4 | 177.6 | 173.9 | 0 | 111.7 | E481 I508 F509 S514 M515 N516 | E481-K512 IonicContact OE1-NZ 2.76Å; E481-K512 PolarHBondContact OE1-NZ 3.47Å; I508-K512 HydrophobicContact CG2-CD 3.95Å; I508-K512 HydrophobicContact CG2-CG 4.32Å; I508-K512 WeakPolarHBondContact O-CB 3.36Å; I508-K512 VanDerWaalsContact O-CG 3.29Å; I508-K512 WeakPolarHBondContact O-CG 3.38Å; I508-K512 PolarHBondContact O-N 3.4Å; F509-K512 PolarHBondContact O-N 2.89Å; K512-S514 VanDerWaalsContact C-N 3.3Å; K512-S514 PolarHBondContact O-N 2.96Å; K512-M515 PolarHBondContact O-N 3.09Å; K512-N516 PolarHBondContact O-N 3.09Å |
| 513 | A | 92.6 | Very high | 92.1 | Very high | 38 Ų | 38 | 45 Ų | 45 | 31% | 0.314 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | F509 M515 N516 E517 | F509-A513 PolarHBondContact O-N 3.48Å; A513-M515 PolarHBondContact O-N 3.36Å; A513-N516 PolarHBondContact O-N 3.33Å; A513-E517 PolarHBondContact O-N 3Å; A513-E517 VanDerWaalsContact O-N 3.1Å |
| 514 | S | 94.1 | Very high | 92.7 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 178.8 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | G510 L511 K512 E517 I518 K567 T571 | G510-S514 VanDerWaalsContact O-CB 3.28Å; G510-S514 WeakPolarHBondContact O-CB 3.36Å; G510-S514 PolarHBondContact O-N 2.95Å; G510-S514 PolarHBondContact O-OG 2.97Å; L511-S514 PolarHBondContact O-N 3.32Å; K512-S514 VanDerWaalsContact C-N 3.3Å; K512-S514 PolarHBondContact O-N 2.96Å; S514-E517 PolarHBondContact O-N 2.72Å; S514-I518 WeakPolarHBondContact O-CD1 3.33Å; S514-I518 VanDerWaalsContact O-CG1 3.29Å; S514-I518 WeakPolarHBondContact O-CG1 3.45Å; S514-I518 PolarHBondContact O-N 3.44Å; S514-K567 VanDerWaalsContact CB-CE 3.41Å; S514-K567 WeakPolarHBondContact OG-CE 3.43Å; S514-K567 PolarHBondContact OG-NZ 3.45Å; S514-T571 WeakPolarHBondContact CB-OG1 3.4Å |
| 515 | M | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 175.9 | -71 | -50.6 | -50 | 0 | 0 | 112.5 | L474 I477 L486 L511 K512 A513 I518 H519 T571 L590 | L474-M515 HydrophobicContact CD2-CE 4.2Å; I477-M515 HydrophobicContact CB-CE 4.03Å; I477-M515 HydrophobicContact CD1-CE 3.91Å; I477-M515 HydrophobicContact CG2-CE 3.62Å; I477-M515 HydrophobicContact CG2-CG 4.28Å; I477-M515 HydrophobicContact CG2-SD 3.92Å; L486-M515 HydrophobicContact CD1-CB 4.43Å; L486-M515 HydrophobicContact CD1-CG 4.2Å; L486-M515 HydrophobicContact CD2-CG 4.27Å; L511-M515 HydrophobicContact CD1-CG 4.33Å; L511-M515 WeakPolarHBondContact O-CG 3.29Å; L511-M515 PolarHBondContact O-N 3.34Å; K512-M515 PolarHBondContact O-N 3.09Å; A513-M515 PolarHBondContact O-N 3.36Å; M515-I518 HydrophobicContact CE-CD1 4.47Å; M515-I518 PolarHBondContact O-N 2.77Å; M515-I518 HydrophobicContact SD-CD1 4.01Å; M515-H519 PolarHBondContact O-CD2 2.66Å; M515-H519 PolarHBondContact O-N 2.82Å; M515-T571 HydrophobicContact SD-CG2 4.45Å; M515-L590 HydrophobicContact SD-CD2 3.92Å |
| 516 | N | 93.2 | Very high | 93.8 | Very high | 58 Ų | 58 | 40.8 Ų | 40.8 | 31% | 0.31 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.3 | -76.7 | -26.1 | 0 | 0 | 0 | 111.7 | K512 A513 I518 H519 E520 | K512-N516 PolarHBondContact O-N 3.09Å; A513-N516 PolarHBondContact O-N 3.33Å; N516-I518 PolarHBondContact O-N 3.46Å; N516-H519 WeakPolarHBondContact O-CB 3.36Å; N516-H519 PolarHBondContact O-N 3.3Å; N516-H519 VanDerWaalsContact O-N 3.16Å; N516-E520 WeakPolarHBondContact O-CG 3.4Å; N516-E520 PolarHBondContact O-N 3.22Å |
| 517 | E | 96 | Very high | 94.3 | Very high | 82 Ų | 82 | 42.6 Ų | 42.6 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 175.2 | -71.5 | 173.9 | -127.2 | 0 | 0 | 112.2 | A513 S514 H519 E520 L521 K567 | A513-E517 PolarHBondContact O-N 3Å; A513-E517 VanDerWaalsContact O-N 3.1Å; S514-E517 PolarHBondContact O-N 2.72Å; E517-H519 VanDerWaalsContact C-N 3.26Å; E517-H519 PolarHBondContact O-N 3.09Å; E517-E520 PolarHBondContact O-N 2.96Å; E517-E520 VanDerWaalsContact O-N 3.14Å; E517-L521 WeakPolarHBondContact O-CB 3.36Å; E517-L521 WeakPolarHBondContact O-CG 3.34Å; E517-L521 PolarHBondContact O-N 3.03Å; E517-K567 HydrophobicContact CB-CD 4.41Å; E517-K567 HydrophobicContact CB-CG 4.46Å; E517-K567 IonicContact OE1-NZ 3.4Å; E517-K567 PolarHBondContact OE1-NZ 2.94Å; E517-K567 WeakPolarHBondContact OE2-CD 3.26Å; E517-K567 WeakPolarHBondContact OE2-CE 3.35Å; E517-K567 IonicContact OE2-NZ 2.89Å; E517-K567 PolarHBondContact OE2-NZ 3.32Å |
| 518 | I | 96.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 176.4 | -69.2 | 162.1 | 0 | 0 | 0 | 110.8 | L474 S514 M515 N516 N522 K567 L568 T571 | L474-I518 HydrophobicContact CD2-CG2 3.55Å; S514-I518 WeakPolarHBondContact O-CD1 3.33Å; S514-I518 VanDerWaalsContact O-CG1 3.29Å; S514-I518 WeakPolarHBondContact O-CG1 3.45Å; S514-I518 PolarHBondContact O-N 3.44Å; M515-I518 HydrophobicContact CE-CD1 4.47Å; M515-I518 PolarHBondContact O-N 2.77Å; M515-I518 HydrophobicContact SD-CD1 4.01Å; N516-I518 PolarHBondContact O-N 3.46Å; I518-N522 WeakPolarHBondContact O-CB 3.43Å; I518-N522 PolarHBondContact O-N 3.25Å; I518-K567 HydrophobicContact CD1-CG 4.26Å; I518-K567 HydrophobicContact CG1-CB 4.19Å; I518-K567 HydrophobicContact CG1-CG 3.59Å; I518-L568 HydrophobicContact CD1-CD2 3.75Å; I518-L568 HydrophobicContact CD1-CG 4.26Å; I518-L568 HydrophobicContact CG1-CD2 4.43Å; I518-L568 HydrophobicContact CG2-CD2 4.38Å; I518-T571 HydrophobicContact CD1-CG2 4.46Å |
| 519 | H | 95.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | 176 | -87 | -78.3 | 0 | 0 | 0 | 112.9 | L474 K479 M515 N516 E517 N522 E523 | L474-H519 WeakPolarHBondContact CB-CE1 3.33Å; K479-H519 VanDerWaalsContact CE-CE1 3.47Å; K479-H519 WeakPolarHBondContact CE-CE1 3.47Å; K479-H519 VanDerWaalsContact CE-ND1 3.27Å; K479-H519 WeakPolarHBondContact CE-ND1 3.39Å; K479-H519 VanDerWaalsContact CG-CD2 3.47Å; K479-H519 WeakPolarHBondContact CG-CD2 3.01Å; K479-H519 VanDerWaalsContact CG-NE2 3.26Å; K479-H519 WeakPolarHBondContact CG-NE2 3.41Å; M515-H519 PolarHBondContact O-CD2 2.66Å; M515-H519 PolarHBondContact O-N 2.82Å; N516-H519 WeakPolarHBondContact O-CB 3.36Å; N516-H519 PolarHBondContact O-N 3.3Å; N516-H519 VanDerWaalsContact O-N 3.16Å; E517-H519 VanDerWaalsContact C-N 3.26Å; E517-H519 PolarHBondContact O-N 3.09Å; H519-N522 PolarHBondContact O-N 3.31Å; H519-E523 WeakPolarHBondContact O-CG 3.36Å; H519-E523 PolarHBondContact O-N 2.99Å |
| 520 | E | 96.9 | Very high | 95.6 | Very high | 136 Ų | 136 | 32.7 Ų | 32.7 | 64% | 0.636 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -66.7 | -46.7 | 176.9 | -72.3 | 173.6 | -176 | 0 | 0 | 111.5 | N516 E517 N522 E523 Q524 | N516-E520 WeakPolarHBondContact O-CG 3.4Å; N516-E520 PolarHBondContact O-N 3.22Å; E517-E520 PolarHBondContact O-N 2.96Å; E517-E520 VanDerWaalsContact O-N 3.14Å; E520-N522 VanDerWaalsContact C-N 3.27Å; E520-N522 PolarHBondContact O-N 3.42Å; E520-E523 PolarHBondContact O-N 2.63Å; E520-Q524 PolarHBondContact O-N 3.05Å |
| 521 | L | 98.3 | Very high | 95.9 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -38.5 | 175.5 | -69 | 172.1 | 0 | 0 | 0 | 111.8 | E517 Q524 L525 A563 I564 K567 | E517-L521 WeakPolarHBondContact O-CB 3.36Å; E517-L521 WeakPolarHBondContact O-CG 3.34Å; E517-L521 PolarHBondContact O-N 3.03Å; L521-Q524 WeakPolarHBondContact O-CB 3.27Å; L521-Q524 PolarHBondContact O-N 3.18Å; L521-L525 PolarHBondContact O-N 3.16Å; L521-A563 HydrophobicContact CD1-CB 4.4Å; L521-A563 HydrophobicContact CD2-CB 3.97Å; L521-I564 HydrophobicContact CB-CD1 4.4Å; L521-I564 HydrophobicContact CB-CG1 3.53Å; L521-I564 HydrophobicContact CD1-CG1 4.44Å; L521-K567 HydrophobicContact CD1-CB 3.99Å; L521-K567 HydrophobicContact CD1-CG 4.41Å |
| 522 | N | 96.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 173.3 | 179.4 | 74.4 | 0 | 0 | 0 | 112.6 | I470 L474 I518 H519 E520 Q524 L525 F526 | I470-N522 WeakPolarHBondContact CG2-OD1 2.96Å; L474-N522 HydrophobicContact CD1-CB 3.94Å; I518-N522 WeakPolarHBondContact O-CB 3.43Å; I518-N522 PolarHBondContact O-N 3.25Å; H519-N522 PolarHBondContact O-N 3.31Å; E520-N522 VanDerWaalsContact C-N 3.27Å; E520-N522 PolarHBondContact O-N 3.42Å; N522-Q524 VanDerWaalsContact C-N 3.29Å; N522-Q524 PolarHBondContact O-N 2.9Å; N522-L525 PolarHBondContact O-N 2.85Å; N522-F526 WeakPolarHBondContact O-CD2 3.46Å; N522-F526 PolarHBondContact O-N 3.43Å; N522-F526 WeakPolarHBondContact OD1-CE2 3.33Å |
| 523 | E | 97.5 | Very high | 96.4 | Very high | 46 Ų | 46 | 34.6 Ų | 34.6 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -35.9 | 175.1 | -72 | -59.9 | 151.7 | 0 | 0 | 112.1 | Y467 K471 H519 E520 S527 K620 | Y467-E523 PolarHBondContact OH-OE1 2.9Å; Y467-E523 PolarHBondContact OH-OE2 3.28Å; K471-E523 IonicContact NZ-OE1 3.81Å; K471-E523 PolarHBondContact NZ-OE1 3.28Å; H519-E523 WeakPolarHBondContact O-CG 3.36Å; H519-E523 PolarHBondContact O-N 2.99Å; E520-E523 PolarHBondContact O-N 2.63Å; E523-S527 WeakPolarHBondContact O-CB 3.41Å; E523-S527 PolarHBondContact O-N 3.12Å; E523-S527 PolarHBondContact O-OG 3.13Å; E523-K620 IonicContact OE2-NZ 3.25Å; E523-K620 PolarHBondContact OE2-NZ 2.98Å |
| 524 | Q | 98.1 | Very high | 96.5 | Very high | 89 Ų | 89 | 37.2 Ų | 37.2 | 42% | 0.416 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.8 | -53.5 | 173.7 | 179.7 | 179.5 | -32.4 | 0 | 0 | 110.8 | E520 L521 N522 F526 S527 T528 D560 | E520-Q524 PolarHBondContact O-N 3.05Å; L521-Q524 WeakPolarHBondContact O-CB 3.27Å; L521-Q524 PolarHBondContact O-N 3.18Å; N522-Q524 VanDerWaalsContact C-N 3.29Å; N522-Q524 PolarHBondContact O-N 2.9Å; Q524-F526 VanDerWaalsContact C-N 3.33Å; Q524-F526 PolarHBondContact O-N 3.32Å; Q524-S527 WeakPolarHBondContact O-CA 3.47Å; Q524-S527 WeakPolarHBondContact O-CB 3.49Å; Q524-S527 PolarHBondContact O-N 3.49Å; Q524-T528 PolarHBondContact O-N 3.14Å; Q524-T528 PolarHBondContact O-OG1 2.97Å; Q524-D560 PolarHBondContact NE2-OD1 3.42Å |
| 525 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -48.9 | -51.7 | 178.3 | 173 | 65.1 | 0 | 0 | 0 | 112.4 | L465 L521 N522 S527 T528 I529 I557 D560 L561 I564 F597 | L465-L525 HydrophobicContact CD2-CD2 4Å; L521-L525 PolarHBondContact O-N 3.16Å; N522-L525 PolarHBondContact O-N 2.85Å; L525-S527 VanDerWaalsContact C-N 3.3Å; L525-S527 PolarHBondContact O-N 2.94Å; L525-T528 WeakPolarHBondContact O-CB 3.41Å; L525-T528 PolarHBondContact O-N 2.87Å; L525-I529 HydrophobicContact CD1-CD1 4.09Å; L525-I529 HydrophobicContact CG-CD1 4.13Å; L525-I529 WeakPolarHBondContact O-CG1 3.4Å; L525-I529 PolarHBondContact O-N 2.86Å; L525-I557 HydrophobicContact CD1-CG2 4Å; L525-D560 WeakPolarHBondContact CA-OD2 3.37Å; L525-D560 HydrophobicContact CB-CB 3.95Å; L525-D560 HydrophobicContact CD1-CB 3.7Å; L525-D560 HydrophobicContact CG-CB 4.43Å; L525-L561 HydrophobicContact CD1-CD2 4.32Å; L525-L561 HydrophobicContact CD1-CG 4.17Å; L525-L561 HydrophobicContact CD2-CD2 3.87Å; L525-I564 HydrophobicContact CB-CD1 4.02Å; L525-I564 HydrophobicContact CD2-CD1 3.81Å; L525-F597 HydrophobicContact CD2-CD1 4.42Å; L525-F597 HydrophobicContact CD2-CE1 3.86Å |
| 526 | F | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.9 | -20.9 | -178.4 | -77.9 | -79.4 | 0 | 0 | 0 | 113.4 | L465 Y467 N522 Q524 I529 F530 K620 I623 | L465-F526 HydrophobicContact CG-CZ 4.28Å; Y467-F526 HydrophobicContact CD2-CB 3.7Å; Y467-F526 HydrophobicContact CD2-CD1 4.05Å; Y467-F526 AromaticContact CD2-CD2 3.65Å; Y467-F526 HydrophobicContact CD2-CD2 3.65Å; Y467-F526 HydrophobicContact CD2-CE2 4.27Å; Y467-F526 AromaticContact CD2-CG 3.53Å; Y467-F526 HydrophobicContact CD2-CG 3.53Å; Y467-F526 HydrophobicContact CE2-CB 4.29Å; Y467-F526 HydrophobicContact CE2-CD2 4.46Å; Y467-F526 HydrophobicContact CE2-CG 4.47Å; Y467-F526 HydrophobicContact CG-CD1 4.44Å; Y467-F526 HydrophobicContact CG-CD2 4.46Å; Y467-F526 HydrophobicContact CG-CG 4.32Å; Y467-F526 VanDerWaalsContact N-CE1 3.33Å; N522-F526 WeakPolarHBondContact O-CD2 3.46Å; N522-F526 PolarHBondContact O-N 3.43Å; N522-F526 WeakPolarHBondContact OD1-CE2 3.33Å; Q524-F526 VanDerWaalsContact C-N 3.33Å; Q524-F526 PolarHBondContact O-N 3.32Å; F526-I529 HydrophobicContact CD1-CD1 4.22Å; F526-I529 HydrophobicContact CE1-CD1 4.4Å; F526-F530 VanDerWaalsContact O-CB 3.29Å; F526-F530 WeakPolarHBondContact O-CB 3.45Å; F526-F530 PolarHBondContact O-N 3.43Å; F526-K620 HydrophobicContact CB-CD 4.24Å; F526-K620 HydrophobicContact CB-CG 4.32Å; F526-I623 HydrophobicContact CD1-CB 4.15Å; F526-I623 HydrophobicContact CD1-CG2 3.9Å; F526-I623 HydrophobicContact CE1-CB 4.45Å; F526-I623 HydrophobicContact CE1-CG2 4.07Å |
| 527 | S | 97.8 | Very high | 96.4 | Very high | 48 Ų | 48 | 46.8 Ų | 46.8 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -73.1 | -40.3 | 170.7 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | E523 Q524 L525 F530 T531 K620 | E523-S527 WeakPolarHBondContact O-CB 3.41Å; E523-S527 PolarHBondContact O-N 3.12Å; E523-S527 PolarHBondContact O-OG 3.13Å; Q524-S527 WeakPolarHBondContact O-CA 3.47Å; Q524-S527 WeakPolarHBondContact O-CB 3.49Å; Q524-S527 PolarHBondContact O-N 3.49Å; L525-S527 VanDerWaalsContact C-N 3.3Å; L525-S527 PolarHBondContact O-N 2.94Å; S527-F530 PolarHBondContact O-N 3.16Å; S527-T531 PolarHBondContact O-N 2.77Å; S527-T531 PolarHBondContact O-OG1 3.33Å; S527-T531 VanDerWaalsContact O-OG1 3.12Å; S527-K620 PolarHBondContact OG-NZ 3.28Å; S527-K620 VanDerWaalsContact OG-NZ 3.12Å |
| 528 | T | 98 | Very high | 96.1 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.1 | -50.8 | 170.6 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | Q524 L525 F530 T531 I532 D556 D560 | Q524-T528 PolarHBondContact O-N 3.14Å; Q524-T528 PolarHBondContact O-OG1 2.97Å; L525-T528 WeakPolarHBondContact O-CB 3.41Å; L525-T528 PolarHBondContact O-N 2.87Å; T528-F530 VanDerWaalsContact C-N 3.27Å; T528-F530 PolarHBondContact O-N 3.32Å; T528-T531 PolarHBondContact O-N 2.83Å; T528-I532 HydrophobicContact CG2-CD1 4.23Å; T528-I532 WeakPolarHBondContact O-CG1 3.45Å; T528-I532 PolarHBondContact O-N 3.18Å; T528-D556 HydrophobicContact CG2-CB 3.52Å; T528-D560 VanDerWaalsContact CB-OD2 3.29Å; T528-D560 WeakPolarHBondContact CB-OD2 3.09Å; T528-D560 PolarHBondContact OG1-OD2 3.3Å |
| 529 | I | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 177.6 | -63.6 | 168.5 | 0 | 0 | 0 | 111.2 | L525 F526 I532 I533 I557 I612 I623 | L525-I529 HydrophobicContact CD1-CD1 4.09Å; L525-I529 HydrophobicContact CG-CD1 4.13Å; L525-I529 WeakPolarHBondContact O-CG1 3.4Å; L525-I529 PolarHBondContact O-N 2.86Å; F526-I529 HydrophobicContact CD1-CD1 4.22Å; F526-I529 HydrophobicContact CE1-CD1 4.4Å; I529-I532 WeakPolarHBondContact O-CB 3.23Å; I529-I532 PolarHBondContact O-N 2.87Å; I529-I533 HydrophobicContact CG2-CD1 4.25Å; I529-I533 WeakPolarHBondContact O-CG1 3.46Å; I529-I533 PolarHBondContact O-N 2.97Å; I529-I557 HydrophobicContact CG1-CD1 3.95Å; I529-I557 HydrophobicContact CG1-CG1 3.93Å; I529-I612 HydrophobicContact CG2-CD1 3.89Å; I529-I612 HydrophobicContact CG2-CG1 4.17Å; I529-I612 HydrophobicContact CG2-CG2 3.87Å; I529-I623 HydrophobicContact CB-CG2 4.46Å; I529-I623 HydrophobicContact CG2-CD1 4.44Å; I529-I623 HydrophobicContact CG2-CG2 3.59Å |
| 530 | F | 97.4 | Very high | 95.1 | Very high | 47 Ų | 47 | 53 Ų | 53 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -40.8 | 177.8 | -170.4 | -117.3 | 0 | 0 | 0 | 112.8 | F526 S527 T528 I532 I533 N534 I614 L617 K620 I623 | F526-F530 VanDerWaalsContact O-CB 3.29Å; F526-F530 WeakPolarHBondContact O-CB 3.45Å; F526-F530 PolarHBondContact O-N 3.43Å; S527-F530 PolarHBondContact O-N 3.16Å; T528-F530 VanDerWaalsContact C-N 3.27Å; T528-F530 PolarHBondContact O-N 3.32Å; F530-I532 VanDerWaalsContact C-N 3.34Å; F530-I533 PolarHBondContact O-N 2.97Å; F530-N534 WeakPolarHBondContact CE1-ND2 3.25Å; F530-N534 PolarHBondContact O-N 2.83Å; F530-N534 VanDerWaalsContact O-N 3.11Å; F530-N534 PolarHBondContact O-ND2 3.1Å; F530-I614 HydrophobicContact CD2-CD1 4.19Å; F530-I614 HydrophobicContact CE2-CD1 4.03Å; F530-L617 VanDerWaalsContact CE2-O 3.25Å; F530-L617 WeakPolarHBondContact CE2-O 3.14Å; F530-L617 WeakPolarHBondContact CZ-O 3.39Å; F530-K620 HydrophobicContact CB-CD 4.41Å; F530-K620 HydrophobicContact CB-CG 4.18Å; F530-K620 HydrophobicContact CD2-CB 4.29Å; F530-K620 HydrophobicContact CG-CB 4.31Å; F530-K620 HydrophobicContact CG-CG 4.37Å; F530-I623 HydrophobicContact CB-CD1 3.77Å; F530-I623 HydrophobicContact CD2-CD1 3.84Å; F530-I623 HydrophobicContact CG-CD1 4.26Å |
| 531 | T | 96.6 | Very high | 94 | Very high | 75 Ų | 75 | 47.3 Ų | 47.3 | 46% | 0.46 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 172.3 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | S527 T528 I533 N534 D535 | S527-T531 PolarHBondContact O-N 2.77Å; S527-T531 PolarHBondContact O-OG1 3.33Å; S527-T531 VanDerWaalsContact O-OG1 3.12Å; T528-T531 PolarHBondContact O-N 2.83Å; T531-I533 VanDerWaalsContact C-N 3.29Å; T531-I533 PolarHBondContact O-N 3.27Å; T531-N534 PolarHBondContact O-N 2.79Å; T531-N534 VanDerWaalsContact O-N 3.08Å; T531-D535 PolarHBondContact O-N 2.87Å; T531-D535 VanDerWaalsContact O-N 3.08Å |
| 532 | I | 96.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 49 Ų | 49 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.9 | -44.9 | 175.8 | -71.7 | 168.3 | 0 | 0 | 0 | 111.4 | T528 I529 F530 N534 D535 S536 F552 I557 I612 | T528-I532 HydrophobicContact CG2-CD1 4.23Å; T528-I532 WeakPolarHBondContact O-CG1 3.45Å; T528-I532 PolarHBondContact O-N 3.18Å; I529-I532 WeakPolarHBondContact O-CB 3.23Å; I529-I532 PolarHBondContact O-N 2.87Å; F530-I532 VanDerWaalsContact C-N 3.34Å; I532-N534 VanDerWaalsContact C-N 3.35Å; I532-N534 PolarHBondContact O-N 2.82Å; I532-D535 PolarHBondContact O-N 3Å; I532-S536 VanDerWaalsContact O-CB 3.28Å; I532-S536 WeakPolarHBondContact O-CB 3.3Å; I532-S536 PolarHBondContact O-N 2.64Å; I532-S536 VanDerWaalsContact O-N 3.17Å; I532-S536 PolarHBondContact O-OG 3.2Å; I532-F552 HydrophobicContact CG2-CB 3.45Å; I532-F552 VanDerWaalsContact CG2-CB 3.45Å; I532-F552 HydrophobicContact CG2-CD2 4.37Å; I532-F552 HydrophobicContact CG2-CG 4.14Å; I532-I557 HydrophobicContact CD1-CD1 3.77Å; I532-I557 HydrophobicContact CD1-CG1 3.72Å; I532-I612 HydrophobicContact CG2-CD1 3.94Å |
| 533 | I | 95.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 178.1 | -68.7 | 164.2 | 0 | 0 | 0 | 111.3 | I529 F530 T531 D535 S536 V538 V549 I612 I614 L617 I623 | I529-I533 HydrophobicContact CG2-CD1 4.25Å; I529-I533 WeakPolarHBondContact O-CG1 3.46Å; I529-I533 PolarHBondContact O-N 2.97Å; F530-I533 PolarHBondContact O-N 2.97Å; T531-I533 VanDerWaalsContact C-N 3.29Å; T531-I533 PolarHBondContact O-N 3.27Å; I533-D535 PolarHBondContact O-N 3.32Å; I533-S536 PolarHBondContact O-N 2.83Å; I533-V538 HydrophobicContact CG2-CG2 4.43Å; I533-V549 HydrophobicContact CG1-CG2 4.32Å; I533-V549 HydrophobicContact CG2-CG2 4.31Å; I533-I612 HydrophobicContact CD1-CG2 3.5Å; I533-I612 VanDerWaalsContact CD1-CG2 3.5Å; I533-I612 HydrophobicContact CG1-CB 4.49Å; I533-I612 HydrophobicContact CG1-CG2 3.72Å; I533-I614 HydrophobicContact CD1-CB 4.24Å; I533-I614 HydrophobicContact CD1-CD1 4.12Å; I533-I614 HydrophobicContact CD1-CG2 4.4Å; I533-I614 HydrophobicContact CG2-CG2 4.25Å; I533-L617 HydrophobicContact CG2-CD2 4.23Å; I533-I623 HydrophobicContact CD1-CD1 3.94Å; I533-I623 HydrophobicContact CD1-CG1 3.85Å; I533-I623 HydrophobicContact CD1-CG2 4.43Å |
| 534 | N | 93.3 | Very high | 89 | Confident | 92 Ų | 92 | 53.3 Ų | 53.3 | 49% | 0.492 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.2 | -27.7 | -178.5 | -66.9 | -32.8 | 0 | 0 | 0 | 112.8 | F530 T531 I532 | F530-N534 WeakPolarHBondContact CE1-ND2 3.25Å; F530-N534 PolarHBondContact O-N 2.83Å; F530-N534 VanDerWaalsContact O-N 3.11Å; F530-N534 PolarHBondContact O-ND2 3.1Å; T531-N534 PolarHBondContact O-N 2.79Å; T531-N534 VanDerWaalsContact O-N 3.08Å; I532-N534 VanDerWaalsContact C-N 3.35Å; I532-N534 PolarHBondContact O-N 2.82Å |
| 535 | D | 93.6 | Very high | 87.8 | Confident | 134 Ų | 134 | 56.5 Ų | 56.5 | 72% | 0.717 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -0.7 | -179.2 | -63.5 | -22 | 0 | 0 | 0 | 113.2 | T531 I532 I533 | T531-D535 PolarHBondContact O-N 2.87Å; T531-D535 VanDerWaalsContact O-N 3.08Å; I532-D535 PolarHBondContact O-N 3Å; I533-D535 PolarHBondContact O-N 3.32Å |
| 536 | S | 94 | Very high | 87 | Confident | 31 Ų | 31 | 58.8 Ų | 58.8 | 22% | 0.217 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -111.2 | 161.2 | -174.2 | -62 | 0 | 0 | 0 | 0 | 113.5 | I532 I533 V538 V549 | I532-S536 VanDerWaalsContact O-CB 3.28Å; I532-S536 WeakPolarHBondContact O-CB 3.3Å; I532-S536 PolarHBondContact O-N 2.64Å; I532-S536 VanDerWaalsContact O-N 3.17Å; I532-S536 PolarHBondContact O-OG 3.2Å; I533-S536 PolarHBondContact O-N 2.83Å; S536-V538 PolarHBondContact O-N 2.88Å; S536-V549 VanDerWaalsContact CB-CG1 3.45Å |
| 537 | D | 91.1 | Very high | 86.7 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 58% | 0.578 | 31% | 0.311 | S | S | * | . | trans | -68 | 124.7 | 167.6 | -69.8 | -38.6 | 0 | 0 | 0 | 110.7 | Y539 | D537-Y539 HydrophobicContact CB-CE2 3.76Š| ||
| 538 | V | 90.5 | Very high | 86.5 | Confident | 52 Ų | 52 | 58.7 Ų | 58.7 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | trans | -105.6 | 131.6 | -178.8 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | I533 S536 H547 V549 L617 | I533-V538 HydrophobicContact CG2-CG2 4.43Å; S536-V538 PolarHBondContact O-N 2.88Å; V538-H547 HydrophobicContact CG1-CB 3.53Å; V538-V549 HydrophobicContact CG2-CG2 4Å; V538-L617 HydrophobicContact CG1-CD2 4.02Å; V538-L617 HydrophobicContact CG2-CD2 4.22Å | ||
| 539 | Y | 89.5 | Confident | 86.4 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.1 | -180 | -57.2 | -84 | 0 | 0 | 0 | 111.6 | D537 N548 F550 H808 | D537-Y539 HydrophobicContact CB-CE2 3.76Å; Y539-N548 PolarHBondContact N-O 3.27Å; Y539-N548 PolarHBondContact O-N 2.64Å; Y539-F550 AromaticContact CD2-CD2 3.86Å; Y539-F550 HydrophobicContact CD2-CD2 3.86Å; Y539-F550 HydrophobicContact CD2-CE2 4.3Å; Y539-F550 HydrophobicContact CE2-CD2 4.48Å; Y539-F550 HydrophobicContact CG-CD2 4.49Å; Y539-H808 AromaticContact CD1-CD2 3.79Å; Y539-H808 AromaticContact CD1-CE1 3.13Å; Y539-H808 WeakPolarHBondContact CD1-CE1 3.23Å; Y539-H808 AromaticContact CD1-CG 3.77Å; Y539-H808 AromaticContact CD1-ND1 3.38Å; Y539-H808 WeakPolarHBondContact CD1-ND1 3.1Å; Y539-H808 AromaticContact CD1-NE2 3.42Å; Y539-H808 WeakPolarHBondContact CD1-NE2 3.35Å; Y539-H808 AromaticContact CE1-CE1 3.22Å; Y539-H808 WeakPolarHBondContact CE1-CE1 3.17Å; Y539-H808 AromaticContact CE1-ND1 3.85Å; Y539-H808 AromaticContact CE1-NE2 3.68Å; Y539-H808 HydrophobicContact CG-CB 4.49Å; Y539-H808 AromaticContact CG-CE1 3.77Å; Y539-H808 AromaticContact CG-CG 3.93Å; Y539-H808 AromaticContact CG-ND1 3.53Å; Y539-H808 AromaticContact CZ-CE1 3.94Å |
| 540 | D | 81.3 | Confident | 86.2 | Confident | 94 Ų | 94 | 58 Ų | 58 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 130.5 | -178.5 | -63.3 | -16.7 | 0 | 0 | 0 | 111.7 | D542 H547 | D540-D542 PolarHBondContact O-N 3.44Å; D540-H547 IonicContact OD1-CE1 2.67Å; D540-H547 PolarHBondContact OD1-CE1 2.79Å; D540-H547 VanDerWaalsContact OD1-CE1 3.27Å; D540-H547 IonicContact OD1-CG 2.8Å; D540-H547 IonicContact OD1-ND1 2.85Å; D540-H547 PolarHBondContact OD1-ND1 2.81Å |
| 541 | D | 73.5 | Confident | 86 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 98.9 | 160.7 | -175.5 | -7 | 0 | 0 | 0 | 108.7 | I543 H544 R545 F546 | D541-I543 PolarHBondContact O-N 3.01Å; D541-I543 WeakPolarHBondContact OD1-CB 3.39Å; D541-I543 PolarHBondContact OD1-N 3.01Å; D541-H544 PolarHBondContact O-N 3.32Å; D541-H544 IonicContact OD1-ND1 2.57Å; D541-H544 IonicContact OD2-CE1 2.76Å; D541-H544 IonicContact OD2-CG 2.81Å; D541-H544 IonicContact OD2-ND1 2.7Å; D541-H544 PolarHBondContact OD2-ND1 3.48Å; D541-R545 PolarHBondContact O-N 3.34Å; D541-R545 VanDerWaalsContact O-N 3.13Å; D541-F546 PolarHBondContact N-O 2.75Å |
| 542 | D | 61.2 | Low | 85.9 | Confident | 72 Ų | 72 | 58 Ų | 58 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -28.1 | 177.3 | -69.2 | -47.5 | 0 | 0 | 0 | 112.8 | D540 Y733 N806 | D540-D542 PolarHBondContact O-N 3.44Å; D542-Y733 WeakPolarHBondContact O-CD2 3.42Å; D542-Y733 WeakPolarHBondContact O-CE2 3.44Å; D542-N806 PolarHBondContact OD2-ND2 3.01Å |
| 543 | I | 61.6 | Low | 85.7 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -39.1 | -172.2 | -56.9 | 176.1 | 0 | 0 | 0 | 112.1 | D541 Y733 | D541-I543 PolarHBondContact O-N 3.01Å; D541-I543 WeakPolarHBondContact OD1-CB 3.39Å; D541-I543 PolarHBondContact OD1-N 3.01Å; I543-Y733 VanDerWaalsContact O-CE2 3.26Å; I543-Y733 WeakPolarHBondContact O-CE2 3.36Å |
| 544 | H | 65.1 | Low | 85.7 | Confident | 101 Ų | 101 | 66.2 Ų | 66.2 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -1.5 | -167.7 | -59.1 | 101.8 | 0 | 0 | 0 | 114.4 | D541 F546 | D541-H544 PolarHBondContact O-N 3.32Å; D541-H544 IonicContact OD1-ND1 2.57Å; D541-H544 IonicContact OD2-CE1 2.76Å; D541-H544 IonicContact OD2-CG 2.81Å; D541-H544 IonicContact OD2-ND1 2.7Å; D541-H544 PolarHBondContact OD2-ND1 3.48Å; H544-F546 VanDerWaalsContact C-N 3.26Å; H544-F546 HydrophobicContact CB-CD2 3.48Å; H544-F546 VanDerWaalsContact CB-CD2 3.48Å; H544-F546 HydrophobicContact CB-CE2 3.92Å; H544-F546 WeakPolarHBondContact O-CD2 3.32Å; H544-F546 PolarHBondContact O-N 2.95Å |
| 545 | R | 71.9 | Confident | 85.9 | Confident | 156 Ų | 156 | 69.2 Ų | 69.2 | 59% | 0.589 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 41.2 | -173.9 | -57.9 | -177 | 176.9 | -175.9 | -1.7 | 112.2 | D541 | D541-R545 PolarHBondContact O-N 3.34Å; D541-R545 VanDerWaalsContact O-N 3.13Å |
| 546 | F | 83.4 | Confident | 86.1 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 21% | 0.211 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 156 | 168.1 | -73.1 | -86.3 | 0 | 0 | 0 | 109.6 | D541 H544 K615 | D541-F546 PolarHBondContact N-O 2.75Å; H544-F546 VanDerWaalsContact C-N 3.26Å; H544-F546 HydrophobicContact CB-CD2 3.48Å; H544-F546 VanDerWaalsContact CB-CD2 3.48Å; H544-F546 HydrophobicContact CB-CE2 3.92Å; H544-F546 WeakPolarHBondContact O-CD2 3.32Å; H544-F546 PolarHBondContact O-N 2.95Å; F546-K615 HydrophobicContact CD1-CB 3.88Å; F546-K615 HydrophobicContact CD1-CG 4.36Å; F546-K615 HydrophobicContact CE1-CB 3.72Å; F546-K615 HydrophobicContact CE1-CD 4.5Å; F546-K615 HydrophobicContact CE1-CG 4.12Å |
| 547 | H | 90.5 | Very high | 86.2 | Confident | 42 Ų | 42 | 65 Ų | 65 | 19% | 0.194 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125 | 175.5 | -58.9 | -73.6 | 0 | 0 | 0 | 107.7 | V538 D540 S613 I614 L617 | V538-H547 HydrophobicContact CG1-CB 3.53Å; D540-H547 IonicContact OD1-CE1 2.67Å; D540-H547 PolarHBondContact OD1-CE1 2.79Å; D540-H547 VanDerWaalsContact OD1-CE1 3.27Å; D540-H547 IonicContact OD1-CG 2.8Å; D540-H547 IonicContact OD1-ND1 2.85Å; D540-H547 PolarHBondContact OD1-ND1 2.81Å; H547-S613 CarbonylContact O-C 3.56Å; H547-S613 WeakPolarHBondContact O-CA 3.28Å; H547-I614 HydrophobicContact CB-CG2 3.74Å; H547-I614 WeakPolarHBondContact CB-O 3.35Å; H547-I614 PolarHBondContact CD2-O 3.28Å; H547-I614 PolarHBondContact N-O 3.45Å; H547-I614 PolarHBondContact O-N 2.89Å; H547-L617 HydrophobicContact CB-CD2 4Å; H547-L617 HydrophobicContact CB-CG 4.42Å |
| 548 | N | 94.1 | Very high | 86.6 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138.2 | -175.1 | -62.1 | -41.9 | 0 | 0 | 0 | 111.4 | Y539 F550 F611 I612 S613 | Y539-N548 PolarHBondContact N-O 3.27Å; Y539-N548 PolarHBondContact O-N 2.64Å; N548-F550 HydrophobicContact CB-CD2 4.47Å; N548-F550 HydrophobicContact CB-CE1 4.15Å; N548-F550 HydrophobicContact CB-CE2 3.76Å; N548-F550 HydrophobicContact CB-CZ 3.58Å; N548-F611 HydrophobicContact CB-CD2 4.39Å; N548-I612 CarbonylContact C-O 3.55Å; N548-I612 VanDerWaalsContact CA-O 3.3Å; N548-I612 WeakPolarHBondContact CA-O 3.48Å; N548-S613 WeakPolarHBondContact OD1-CB 3.38Å; N548-S613 PolarHBondContact OD1-OG 3.48Å |
| 549 | V | 95.6 | Very high | 87 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 113.8 | 170.9 | 176.2 | 0 | 0 | 0 | 0 | 107.7 | I533 S536 V538 F552 F611 I612 | I533-V549 HydrophobicContact CG1-CG2 4.32Å; I533-V549 HydrophobicContact CG2-CG2 4.31Å; S536-V549 VanDerWaalsContact CB-CG1 3.45Å; V538-V549 HydrophobicContact CG2-CG2 4Å; V549-F552 HydrophobicContact CG1-CB 4.32Å; V549-F552 HydrophobicContact CG1-CD1 4.23Å; V549-F611 WeakPolarHBondContact O-CA 3.48Å; V549-F611 WeakPolarHBondContact O-CB 3.39Å; V549-I612 HydrophobicContact CB-CB 4.3Å; V549-I612 PolarHBondContact N-O 3.43Å; V549-I612 PolarHBondContact O-N 3.37Å |
| 550 | F | 94.4 | Very high | 87.4 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 6% | 0.057 | 30% | 0.298 | C | S | . | . | trans | -95.4 | -29.2 | -174.2 | -66 | -66.5 | 0 | 0 | 0 | 113.3 | Y539 N548 F611 H808 W813 | Y539-F550 AromaticContact CD2-CD2 3.86Å; Y539-F550 HydrophobicContact CD2-CD2 3.86Å; Y539-F550 HydrophobicContact CD2-CE2 4.3Å; Y539-F550 HydrophobicContact CE2-CD2 4.48Å; Y539-F550 HydrophobicContact CG-CD2 4.49Å; N548-F550 HydrophobicContact CB-CD2 4.47Å; N548-F550 HydrophobicContact CB-CE1 4.15Å; N548-F550 HydrophobicContact CB-CE2 3.76Å; N548-F550 HydrophobicContact CB-CZ 3.58Å; F550-F611 HydrophobicContact CD1-CB 3.57Å; F550-F611 HydrophobicContact CD1-CG 4.17Å; F550-F611 HydrophobicContact CE1-CB 3.97Å; F550-F611 HydrophobicContact CE1-CD2 4.15Å; F550-F611 HydrophobicContact CE1-CG 4.05Å; F550-H808 HydrophobicContact CE2-CB 4.11Å; F550-H808 VanDerWaalsContact CZ-O 3.31Å; F550-H808 WeakPolarHBondContact CZ-O 3.49Å; F550-W813 HydrophobicContact CB-CD2 4.03Å; F550-W813 HydrophobicContact CB-CE3 4.08Å; F550-W813 HydrophobicContact CB-CH2 3.92Å; F550-W813 HydrophobicContact CB-CZ2 3.84Å; F550-W813 HydrophobicContact CB-CZ3 4.04Å; F550-W813 HydrophobicContact CD1-CB 3.82Å; F550-W813 AromaticContact CD1-CD1 3.51Å; F550-W813 AromaticContact CD1-CD2 3.45Å; F550-W813 HydrophobicContact CD1-CD2 3.45Å; F550-W813 VanDerWaalsContact CD1-CD2 3.45Å; F550-W813 AromaticContact CD1-CE2 3.74Å; F550-W813 HydrophobicContact CD1-CE3 4.05Å; F550-W813 AromaticContact CD1-CG 3.31Å; F550-W813 HydrophobicContact CD1-CG 3.31Å; F550-W813 AromaticContact CD1-NE1 3.72Å; F550-W813 HydrophobicContact CE1-CB 3.58Å; F550-W813 AromaticContact CE1-CD1 3.89Å; F550-W813 HydrophobicContact CE1-CD2 4.17Å; F550-W813 AromaticContact CE1-CG 3.6Å; F550-W813 HydrophobicContact CE1-CG 3.6Å; F550-W813 AromaticContact CG-CD2 3.96Å; F550-W813 HydrophobicContact CG-CD2 3.96Å; F550-W813 HydrophobicContact CG-CE3 4.13Å; F550-W813 HydrophobicContact CG-CG 4.26Å; F550-W813 HydrophobicContact CZ-CB 4.4Å; F550-W813 VanDerWaalsContact O-CZ2 3.25Å; F550-W813 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 551 | T | 91.9 | Very high | 88.2 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 53% | 0.534 | 27% | 0.274 | S | S | . | . | trans | -119.1 | 117.9 | -178.2 | 52.9 | 0 | 0 | 0 | 0 | 110 | W813 | T551-W813 HydrophobicContact CG2-CH2 4.42Š| ||
| 552 | F | 95.4 | Very high | 89.4 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 16% | 0.158 | 29% | 0.293 | C | S | . | . | trans | -157.6 | 158.4 | 179.8 | 57.2 | -81.2 | 0 | 0 | 0 | 110.6 | I532 V549 T554 I557 S610 I612 L625 | I532-F552 HydrophobicContact CG2-CB 3.45Å; I532-F552 VanDerWaalsContact CG2-CB 3.45Å; I532-F552 HydrophobicContact CG2-CD2 4.37Å; I532-F552 HydrophobicContact CG2-CG 4.14Å; V549-F552 HydrophobicContact CG1-CB 4.32Å; V549-F552 HydrophobicContact CG1-CD1 4.23Å; F552-T554 HydrophobicContact CD2-CG2 4.41Å; F552-T554 HydrophobicContact CE2-CG2 3.98Å; F552-I557 HydrophobicContact CD2-CD1 3.89Å; F552-I557 HydrophobicContact CE2-CD1 3.72Å; F552-S610 WeakPolarHBondContact CZ-OG 3.3Å; F552-I612 HydrophobicContact CB-CD1 4.5Å; F552-I612 HydrophobicContact CD1-CD1 3.93Å; F552-I612 HydrophobicContact CD1-CG1 4.31Å; F552-I612 HydrophobicContact CD2-CD1 3.83Å; F552-I612 HydrophobicContact CE1-CD1 4.11Å; F552-I612 HydrophobicContact CE1-CG1 4.04Å; F552-I612 HydrophobicContact CE2-CD1 3.98Å; F552-I612 HydrophobicContact CE2-CG1 4.28Å; F552-I612 HydrophobicContact CG-CD1 3.81Å; F552-I612 HydrophobicContact CZ-CD1 4.13Å; F552-I612 HydrophobicContact CZ-CG1 4.01Å; F552-L625 HydrophobicContact CE2-CD1 4.34Å; F552-L625 HydrophobicContact CZ-CD1 3.9Å | ||
| 553 | E | 93.1 | Very high | 91.2 | Very high | 150 Ų | 150 | 60.3 Ų | 60.3 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | trans | -79.5 | 131.9 | 174.2 | -64.8 | -166.2 | 177.8 | 0 | 0 | 111.5 | ||||
| 554 | T | 95.4 | Very high | 92.9 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 28% | 0.282 | 28% | 0.279 | S | S | . | . | trans | -91.5 | -8.7 | -177.7 | 59 | 0 | 0 | 0 | 0 | 113.6 | F552 D556 I557 L558 L604 | F552-T554 HydrophobicContact CD2-CG2 4.41Å; F552-T554 HydrophobicContact CE2-CG2 3.98Å; T554-D556 PolarHBondContact O-N 3.02Å; T554-I557 PolarHBondContact O-N 3.3Å; T554-L558 WeakPolarHBondContact O-CB 3.47Å; T554-L558 VanDerWaalsContact O-CG 3.3Å; T554-L558 WeakPolarHBondContact O-CG 3.33Å; T554-L558 PolarHBondContact O-N 3.37Å; T554-L604 HydrophobicContact CG2-CD2 4.03Å | ||
| 555 | K | 96.7 | Very high | 94.5 | Very high | 155 Ų | 155 | 54.2 Ų | 54.2 | 67% | 0.674 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.8 | -49.8 | -170.3 | -178.3 | -176.5 | 174.2 | -172.1 | 0 | 113.2 | L558 K559 | K555-L558 PolarHBondContact O-N 3.02Å; K555-K559 PolarHBondContact O-N 3.34Å; K555-K559 VanDerWaalsContact O-N 3.07Å |
| 556 | D | 97.1 | Very high | 95.8 | Very high | 77 Ų | 77 | 50 Ų | 50 | 41% | 0.412 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -73 | -35.3 | -177.8 | -65.5 | -37.7 | 0 | 0 | 0 | 111.7 | T528 T554 L558 K559 D560 | T528-D556 HydrophobicContact CG2-CB 3.52Å; T554-D556 PolarHBondContact O-N 3.02Å; D556-L558 VanDerWaalsContact C-N 3.35Å; D556-L558 PolarHBondContact O-N 3.25Å; D556-K559 WeakPolarHBondContact O-CB 3.39Å; D556-K559 PolarHBondContact O-N 3.22Å; D556-D560 PolarHBondContact O-N 3.12Å |
| 557 | I | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 171.7 | -59.2 | 177 | 0 | 0 | 0 | 110.1 | L525 I529 I532 F552 T554 K559 D560 L561 L604 L625 | L525-I557 HydrophobicContact CD1-CG2 4Å; I529-I557 HydrophobicContact CG1-CD1 3.95Å; I529-I557 HydrophobicContact CG1-CG1 3.93Å; I532-I557 HydrophobicContact CD1-CD1 3.77Å; I532-I557 HydrophobicContact CD1-CG1 3.72Å; F552-I557 HydrophobicContact CD2-CD1 3.89Å; F552-I557 HydrophobicContact CE2-CD1 3.72Å; T554-I557 PolarHBondContact O-N 3.3Å; I557-K559 VanDerWaalsContact C-N 3.34Å; I557-K559 PolarHBondContact O-N 3.11Å; I557-D560 PolarHBondContact O-N 3.21Å; I557-L561 HydrophobicContact CG2-CD1 3.85Å; I557-L561 HydrophobicContact CG2-CG 4.25Å; I557-L561 WeakPolarHBondContact O-CB 3.43Å; I557-L561 VanDerWaalsContact O-CG 3.25Å; I557-L561 WeakPolarHBondContact O-CG 3.41Å; I557-L561 PolarHBondContact O-N 3.47Å; I557-L604 HydrophobicContact CG2-CD1 3.91Å; I557-L625 HydrophobicContact CG2-CD2 4.24Å |
| 558 | L | 98.4 | Very high | 96.8 | Very high | 31 Ų | 31 | 47 Ų | 47 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 178.8 | -76.5 | 173.1 | 0 | 0 | 0 | 112.5 | T554 K555 D556 H562 E601 L604 K605 | T554-L558 WeakPolarHBondContact O-CB 3.47Å; T554-L558 VanDerWaalsContact O-CG 3.3Å; T554-L558 WeakPolarHBondContact O-CG 3.33Å; T554-L558 PolarHBondContact O-N 3.37Å; K555-L558 PolarHBondContact O-N 3.02Å; D556-L558 VanDerWaalsContact C-N 3.35Å; D556-L558 PolarHBondContact O-N 3.25Å; L558-H562 VanDerWaalsContact O-CB 3.32Å; L558-H562 WeakPolarHBondContact O-CB 3.46Å; L558-H562 PolarHBondContact O-N 2.94Å; L558-E601 HydrophobicContact CD2-CG 4.03Å; L558-L604 HydrophobicContact CD2-CB 3.73Å; L558-L604 HydrophobicContact CD2-CD1 4.33Å; L558-L604 HydrophobicContact CG-CB 4.34Å; L558-K605 HydrophobicContact CD1-CG 4.19Å; L558-K605 HydrophobicContact CD2-CG 3.82Å |
| 559 | K | 98.3 | Very high | 97 | Very high | 138 Ų | 138 | 49.2 Ų | 49.2 | 60% | 0.6 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.5 | -47.8 | 175 | 177.2 | -172.1 | 169.9 | -167.1 | 0 | 111.2 | K555 D556 I557 H562 A563 | K555-K559 PolarHBondContact O-N 3.34Å; K555-K559 VanDerWaalsContact O-N 3.07Å; D556-K559 WeakPolarHBondContact O-CB 3.39Å; D556-K559 PolarHBondContact O-N 3.22Å; I557-K559 VanDerWaalsContact C-N 3.34Å; I557-K559 PolarHBondContact O-N 3.11Å; K559-H562 PolarHBondContact O-N 3.11Å; K559-A563 PolarHBondContact O-N 3.35Å |
| 560 | D | 98.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -43 | -179.3 | -69.8 | -18.2 | 0 | 0 | 0 | 111.6 | Q524 L525 T528 D556 I557 H562 A563 I564 | Q524-D560 PolarHBondContact NE2-OD1 3.42Å; L525-D560 WeakPolarHBondContact CA-OD2 3.37Å; L525-D560 HydrophobicContact CB-CB 3.95Å; L525-D560 HydrophobicContact CD1-CB 3.7Å; L525-D560 HydrophobicContact CG-CB 4.43Å; T528-D560 VanDerWaalsContact CB-OD2 3.29Å; T528-D560 WeakPolarHBondContact CB-OD2 3.09Å; T528-D560 PolarHBondContact OG1-OD2 3.3Å; D556-D560 PolarHBondContact O-N 3.12Å; I557-D560 PolarHBondContact O-N 3.21Å; D560-H562 VanDerWaalsContact C-N 3.34Å; D560-H562 PolarHBondContact O-N 3Å; D560-A563 PolarHBondContact O-N 3.19Å; D560-I564 WeakPolarHBondContact O-CG1 3.43Å; D560-I564 PolarHBondContact O-N 3.16Å; D560-I564 VanDerWaalsContact O-N 3.12Å |
| 561 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 174.1 | -73.2 | 171.9 | 0 | 0 | 0 | 111.7 | L465 L525 I557 A563 I564 I565 F597 I600 E601 L604 | L465-L561 HydrophobicContact CD2-CD2 4.04Å; L525-L561 HydrophobicContact CD1-CD2 4.32Å; L525-L561 HydrophobicContact CD1-CG 4.17Å; L525-L561 HydrophobicContact CD2-CD2 3.87Å; I557-L561 HydrophobicContact CG2-CD1 3.85Å; I557-L561 HydrophobicContact CG2-CG 4.25Å; I557-L561 WeakPolarHBondContact O-CB 3.43Å; I557-L561 VanDerWaalsContact O-CG 3.25Å; I557-L561 WeakPolarHBondContact O-CG 3.41Å; I557-L561 PolarHBondContact O-N 3.47Å; L561-A563 PolarHBondContact O-N 3Å; L561-I564 PolarHBondContact O-N 3.44Å; L561-I565 WeakPolarHBondContact O-CD1 3.26Å; L561-I565 VanDerWaalsContact O-CG1 3.27Å; L561-I565 WeakPolarHBondContact O-CG1 3.49Å; L561-I565 PolarHBondContact O-N 3.3Å; L561-F597 HydrophobicContact CD2-CB 4.36Å; L561-F597 HydrophobicContact CD2-CD1 3.58Å; L561-F597 HydrophobicContact CD2-CE1 4.36Å; L561-F597 HydrophobicContact CD2-CG 4.42Å; L561-I600 HydrophobicContact CD1-CG2 3.82Å; L561-E601 HydrophobicContact CB-CB 4.27Å; L561-E601 HydrophobicContact CB-CG 4.34Å; L561-E601 HydrophobicContact CD1-CB 4.25Å; L561-L604 HydrophobicContact CD1-CD1 3.94Å |
| 562 | H | 98.4 | Very high | 97.3 | Very high | 108 Ų | 108 | 50 Ų | 50 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.7 | -44.1 | -179.9 | -172.5 | 67.8 | 0 | 0 | 0 | 112.1 | L558 K559 D560 I564 I565 D566 E601 | L558-H562 VanDerWaalsContact O-CB 3.32Å; L558-H562 WeakPolarHBondContact O-CB 3.46Å; L558-H562 PolarHBondContact O-N 2.94Å; K559-H562 PolarHBondContact O-N 3.11Å; D560-H562 VanDerWaalsContact C-N 3.34Å; D560-H562 PolarHBondContact O-N 3Å; H562-I564 VanDerWaalsContact C-N 3.34Å; H562-I564 PolarHBondContact O-N 3.12Å; H562-I565 PolarHBondContact O-N 3.08Å; H562-D566 WeakPolarHBondContact O-CB 3.21Å; H562-D566 PolarHBondContact O-N 3.08Å; H562-E601 IonicContact CG-OE1 2.64Å; H562-E601 IonicContact ND1-OE1 2.84Å; H562-E601 PolarHBondContact ND1-OE1 3.49Å; H562-E601 VanDerWaalsContact ND1-OE1 3.16Å |
| 563 | A | 98.6 | Very high | 97.2 | Very high | 33 Ų | 33 | 54 Ų | 54 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L521 K559 D560 L561 K567 | L521-A563 HydrophobicContact CD1-CB 4.4Å; L521-A563 HydrophobicContact CD2-CB 3.97Å; K559-A563 PolarHBondContact O-N 3.35Å; D560-A563 PolarHBondContact O-N 3.19Å; L561-A563 PolarHBondContact O-N 3Å; A563-K567 PolarHBondContact O-N 3.29Å; A563-K567 VanDerWaalsContact O-N 3.09Å |
| 564 | I | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 176.4 | -64.7 | 164.2 | 0 | 0 | 0 | 110.8 | L521 L525 D560 L561 H562 K567 L568 F597 | L521-I564 HydrophobicContact CB-CD1 4.4Å; L521-I564 HydrophobicContact CB-CG1 3.53Å; L521-I564 HydrophobicContact CD1-CG1 4.44Å; L525-I564 HydrophobicContact CB-CD1 4.02Å; L525-I564 HydrophobicContact CD2-CD1 3.81Å; D560-I564 WeakPolarHBondContact O-CG1 3.43Å; D560-I564 PolarHBondContact O-N 3.16Å; D560-I564 VanDerWaalsContact O-N 3.12Å; L561-I564 PolarHBondContact O-N 3.44Å; H562-I564 VanDerWaalsContact C-N 3.34Å; H562-I564 PolarHBondContact O-N 3.12Å; I564-K567 PolarHBondContact O-N 2.83Å; I564-L568 HydrophobicContact CG2-CD1 3.77Å; I564-L568 HydrophobicContact CG2-CG 4.34Å; I564-L568 WeakPolarHBondContact O-CB 3.43Å; I564-L568 WeakPolarHBondContact O-CG 3.26Å; I564-L568 PolarHBondContact O-N 3.39Å; I564-F597 HydrophobicContact CD1-CE1 4.03Å; I564-F597 HydrophobicContact CD1-CZ 4.18Å; I564-F597 HydrophobicContact CG2-CD1 4.5Å; I564-F597 HydrophobicContact CG2-CD2 3.57Å; I564-F597 HydrophobicContact CG2-CE1 4.4Å; I564-F597 HydrophobicContact CG2-CE2 3.49Å; I564-F597 VanDerWaalsContact CG2-CE2 3.49Å; I564-F597 HydrophobicContact CG2-CG 4.1Å; I564-F597 HydrophobicContact CG2-CZ 3.89Å |
| 565 | I | 98.5 | Very high | 96.8 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.051 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | -178.6 | -67.9 | 161.8 | 0 | 0 | 0 | 111.1 | L561 H562 K567 L568 N569 F597 K598 E601 | L561-I565 WeakPolarHBondContact O-CD1 3.26Å; L561-I565 VanDerWaalsContact O-CG1 3.27Å; L561-I565 WeakPolarHBondContact O-CG1 3.49Å; L561-I565 PolarHBondContact O-N 3.3Å; H562-I565 PolarHBondContact O-N 3.08Å; I565-K567 VanDerWaalsContact C-N 3.35Å; I565-K567 PolarHBondContact O-N 3.47Å; I565-L568 PolarHBondContact O-N 3.04Å; I565-N569 PolarHBondContact O-N 3.27Å; I565-N569 PolarHBondContact O-ND2 3.28Å; I565-N569 VanDerWaalsContact O-ND2 3.1Å; I565-F597 HydrophobicContact CD1-CB 4.07Å; I565-F597 HydrophobicContact CG1-CB 3.72Å; I565-K598 HydrophobicContact CD1-CB 4.22Å; I565-E601 HydrophobicContact CD1-CB 3.83Å; I565-E601 HydrophobicContact CD1-CG 4.21Å; I565-E601 WeakPolarHBondContact CD1-OE2 3.48Å |
| 566 | D | 98.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 44.5 Ų | 44.5 | 35% | 0.353 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.3 | -46.7 | 175.3 | 177.5 | 61.5 | 0 | 0 | 0 | 111.3 | H562 L568 N569 K570 | H562-D566 WeakPolarHBondContact O-CB 3.21Å; H562-D566 PolarHBondContact O-N 3.08Å; D566-L568 PolarHBondContact O-N 2.87Å; D566-N569 PolarHBondContact O-N 2.95Å; D566-K570 PolarHBondContact O-N 3.06Å; D566-K570 VanDerWaalsContact O-N 3.09Å; D566-K570 WeakPolarHBondContact OD1-CE 3.37Å; D566-K570 IonicContact OD1-NZ 3.12Å; D566-K570 VanDerWaalsContact OD2-CE 3.31Å; D566-K570 WeakPolarHBondContact OD2-CE 3.42Å; D566-K570 IonicContact OD2-NZ 2.75Å; D566-K570 PolarHBondContact OD2-NZ 3.05Å |
| 567 | K | 98.2 | Very high | 95.8 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -39.5 | 178.2 | -171.2 | 66.9 | -168.4 | -167.4 | 0 | 112.7 | S514 E517 I518 L521 A563 I564 I565 K570 T571 | S514-K567 VanDerWaalsContact CB-CE 3.41Å; S514-K567 WeakPolarHBondContact OG-CE 3.43Å; S514-K567 PolarHBondContact OG-NZ 3.45Å; E517-K567 HydrophobicContact CB-CD 4.41Å; E517-K567 HydrophobicContact CB-CG 4.46Å; E517-K567 IonicContact OE1-NZ 3.4Å; E517-K567 PolarHBondContact OE1-NZ 2.94Å; E517-K567 WeakPolarHBondContact OE2-CD 3.26Å; E517-K567 WeakPolarHBondContact OE2-CE 3.35Å; E517-K567 IonicContact OE2-NZ 2.89Å; E517-K567 PolarHBondContact OE2-NZ 3.32Å; I518-K567 HydrophobicContact CD1-CG 4.26Å; I518-K567 HydrophobicContact CG1-CB 4.19Å; I518-K567 HydrophobicContact CG1-CG 3.59Å; L521-K567 HydrophobicContact CD1-CB 3.99Å; L521-K567 HydrophobicContact CD1-CG 4.41Å; A563-K567 PolarHBondContact O-N 3.29Å; A563-K567 VanDerWaalsContact O-N 3.09Å; I564-K567 PolarHBondContact O-N 2.83Å; I565-K567 VanDerWaalsContact C-N 3.35Å; I565-K567 PolarHBondContact O-N 3.47Å; K567-K570 PolarHBondContact O-N 3.2Å; K567-T571 WeakPolarHBondContact O-CB 3.22Å; K567-T571 PolarHBondContact O-N 3.43Å; K567-T571 PolarHBondContact O-OG1 2.96Å |
| 568 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.9 | -78 | 167.3 | 0 | 0 | 0 | 112.1 | I518 I564 I565 D566 T571 L572 L590 L593 K594 F597 | I518-L568 HydrophobicContact CD1-CD2 3.75Å; I518-L568 HydrophobicContact CD1-CG 4.26Å; I518-L568 HydrophobicContact CG1-CD2 4.43Å; I518-L568 HydrophobicContact CG2-CD2 4.38Å; I564-L568 HydrophobicContact CG2-CD1 3.77Å; I564-L568 HydrophobicContact CG2-CG 4.34Å; I564-L568 WeakPolarHBondContact O-CB 3.43Å; I564-L568 WeakPolarHBondContact O-CG 3.26Å; I564-L568 PolarHBondContact O-N 3.39Å; I565-L568 PolarHBondContact O-N 3.04Å; D566-L568 PolarHBondContact O-N 2.87Å; L568-T571 PolarHBondContact O-N 2.84Å; L568-L572 WeakPolarHBondContact O-CG 3.43Å; L568-L572 PolarHBondContact O-N 2.8Å; L568-L590 HydrophobicContact CD2-CD2 3.78Å; L568-L593 HydrophobicContact CD1-CB 4.18Å; L568-L593 HydrophobicContact CD2-CB 4.36Å; L568-K594 HydrophobicContact CB-CB 4.33Å; L568-K594 HydrophobicContact CD1-CB 4.16Å; L568-F597 HydrophobicContact CD1-CD2 3.75Å; L568-F597 HydrophobicContact CD1-CE2 4.17Å |
| 569 | N | 98 | Very high | 94.7 | Very high | 49 Ų | 49 | 48.8 Ų | 48.8 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 176 | -74.8 | -42.9 | 0 | 0 | 0 | 111.7 | I565 D566 T571 L572 E573 K594 | I565-N569 PolarHBondContact O-N 3.27Å; I565-N569 PolarHBondContact O-ND2 3.28Å; I565-N569 VanDerWaalsContact O-ND2 3.1Å; D566-N569 PolarHBondContact O-N 2.95Å; N569-T571 VanDerWaalsContact C-N 3.25Å; N569-T571 PolarHBondContact O-N 3.4Å; N569-L572 WeakPolarHBondContact O-CB 3.36Å; N569-L572 PolarHBondContact O-N 2.87Å; N569-L572 VanDerWaalsContact O-N 3.11Å; N569-E573 PolarHBondContact O-N 3.12Å; N569-K594 WeakPolarHBondContact OD1-CD 3.18Å; N569-K594 WeakPolarHBondContact OD1-CE 3.27Å; N569-K594 PolarHBondContact OD1-NZ 3Å |
| 570 | K | 97 | Very high | 94.3 | Very high | 106 Ų | 106 | 44.5 Ų | 44.5 | 46% | 0.461 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.1 | -37.8 | 176.1 | -70.4 | 169.3 | 179 | 166.6 | 0 | 112.3 | D566 K567 E573 | D566-K570 PolarHBondContact O-N 3.06Å; D566-K570 VanDerWaalsContact O-N 3.09Å; D566-K570 WeakPolarHBondContact OD1-CE 3.37Å; D566-K570 IonicContact OD1-NZ 3.12Å; D566-K570 VanDerWaalsContact OD2-CE 3.31Å; D566-K570 WeakPolarHBondContact OD2-CE 3.42Å; D566-K570 IonicContact OD2-NZ 2.75Å; D566-K570 PolarHBondContact OD2-NZ 3.05Å; K567-K570 PolarHBondContact O-N 3.2Å; K570-E573 WeakPolarHBondContact O-CB 3.48Å; K570-E573 PolarHBondContact O-N 3.17Å |
| 571 | T | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.7 | -38.3 | 177.1 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | L511 S514 M515 I518 K567 L568 N569 E573 I574 L590 | L511-T571 HydrophobicContact CD1-CG2 3.77Å; S514-T571 WeakPolarHBondContact CB-OG1 3.4Å; M515-T571 HydrophobicContact SD-CG2 4.45Å; I518-T571 HydrophobicContact CD1-CG2 4.46Å; K567-T571 WeakPolarHBondContact O-CB 3.22Å; K567-T571 PolarHBondContact O-N 3.43Å; K567-T571 PolarHBondContact O-OG1 2.96Å; L568-T571 PolarHBondContact O-N 2.84Å; N569-T571 VanDerWaalsContact C-N 3.25Å; N569-T571 PolarHBondContact O-N 3.4Å; T571-E573 VanDerWaalsContact C-N 3.27Å; T571-E573 PolarHBondContact O-N 3.27Å; T571-I574 HydrophobicContact CG2-CD1 4.36Å; T571-I574 WeakPolarHBondContact O-CB 3.48Å; T571-I574 WeakPolarHBondContact O-CG1 3.49Å; T571-I574 PolarHBondContact O-N 2.98Å; T571-L590 HydrophobicContact CG2-CD1 3.91Å; T571-L590 HydrophobicContact CG2-CD2 4.43Å |
| 572 | L | 95 | Very high | 93.3 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.3 | -29.5 | 176.8 | -79.9 | 164.6 | 0 | 0 | 0 | 112.8 | L568 N569 I574 F575 R587 L590 L591 K594 | L568-L572 WeakPolarHBondContact O-CG 3.43Å; L568-L572 PolarHBondContact O-N 2.8Å; N569-L572 WeakPolarHBondContact O-CB 3.36Å; N569-L572 PolarHBondContact O-N 2.87Å; N569-L572 VanDerWaalsContact O-N 3.11Å; L572-I574 VanDerWaalsContact C-N 3.26Å; L572-I574 PolarHBondContact O-N 3.08Å; L572-F575 PolarHBondContact O-N 3.38Å; L572-R587 HydrophobicContact CD2-CB 4.46Å; L572-R587 HydrophobicContact CD2-CG 4.43Å; L572-R587 PolarHBondContact O-NH1 3.33Å; L572-L590 HydrophobicContact CD2-CB 3.62Å; L572-L590 HydrophobicContact CD2-CD1 4.03Å; L572-L590 HydrophobicContact CG-CB 4.02Å; L572-L590 HydrophobicContact CG-CD1 4.31Å; L572-L591 HydrophobicContact CD1-CD2 3.75Å; L572-L591 HydrophobicContact CD1-CG 4.33Å; L572-L591 HydrophobicContact CD2-CD2 4.25Å; L572-L591 HydrophobicContact CD2-CG 4.06Å; L572-K594 HydrophobicContact CD1-CD 3.78Å |
| 573 | E | 93 | Very high | 93 | Very high | 120 Ų | 120 | 47.6 Ų | 47.6 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.8 | -29 | 177.8 | -70.9 | 171.2 | -175 | 0 | 0 | 113 | N569 K570 T571 F575 N576 | N569-E573 PolarHBondContact O-N 3.12Å; K570-E573 WeakPolarHBondContact O-CB 3.48Å; K570-E573 PolarHBondContact O-N 3.17Å; T571-E573 VanDerWaalsContact C-N 3.27Å; T571-E573 PolarHBondContact O-N 3.27Å; E573-F575 PolarHBondContact O-N 2.85Å; E573-N576 WeakPolarHBondContact O-CB 3.17Å; E573-N576 PolarHBondContact O-N 3.22Å; E573-N576 VanDerWaalsContact O-N 3.07Å |
| 574 | I | 90 | Very high | 92.6 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -30.5 | 176.4 | -60.1 | 175 | 0 | 0 | 0 | 111.6 | L511 T571 L572 | L511-I574 HydrophobicContact CB-CD1 4.33Å; L511-I574 HydrophobicContact CD1-CD1 4.41Å; T571-I574 HydrophobicContact CG2-CD1 4.36Å; T571-I574 WeakPolarHBondContact O-CB 3.48Å; T571-I574 WeakPolarHBondContact O-CG1 3.49Å; T571-I574 PolarHBondContact O-N 2.98Å; L572-I574 VanDerWaalsContact C-N 3.26Å; L572-I574 PolarHBondContact O-N 3.08Å |
| 575 | F | 90.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 11.7 | -175.2 | -51.4 | -76.4 | 0 | 0 | 0 | 114.3 | I506 L511 L572 E573 G577 I578 V583 L586 R587 L590 | I506-F575 HydrophobicContact CG2-CE1 4.07Å; L511-F575 HydrophobicContact CD1-CE2 3.9Å; L511-F575 HydrophobicContact CD1-CZ 3.6Å; L511-F575 HydrophobicContact CD2-CE1 4.17Å; L511-F575 HydrophobicContact CD2-CZ 3.61Å; L511-F575 HydrophobicContact CG-CZ 4.21Å; L572-F575 PolarHBondContact O-N 3.38Å; E573-F575 PolarHBondContact O-N 2.85Å; F575-G577 PolarHBondContact O-N 3.5Å; F575-I578 PolarHBondContact O-N 3.45Å; F575-I578 VanDerWaalsContact O-N 3.15Å; F575-V583 HydrophobicContact CB-CG1 3.75Å; F575-V583 HydrophobicContact CD1-CG1 3.55Å; F575-V583 HydrophobicContact CD1-CG2 4.37Å; F575-V583 HydrophobicContact CE1-CG1 4.4Å; F575-V583 HydrophobicContact CG-CG1 3.87Å; F575-L586 HydrophobicContact CD2-CD2 4.28Å; F575-L586 HydrophobicContact CE1-CD2 4.29Å; F575-L586 HydrophobicContact CE2-CD2 3.36Å; F575-L586 HydrophobicContact CZ-CD2 3.35Å; F575-R587 HydrophobicContact CB-CG 3.9Å; F575-R587 HydrophobicContact CD2-CG 3.98Å; F575-R587 HydrophobicContact CG-CG 4.05Å; F575-L590 HydrophobicContact CE2-CD1 3.97Å |
| 576 | N | 87.7 | Confident | 92 | Very high | 105 Ų | 105 | 51 Ų | 51 | 56% | 0.561 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 132.1 | 177.5 | -76.5 | -15.9 | 0 | 0 | 0 | 110.6 | E573 I578 | E573-N576 WeakPolarHBondContact O-CB 3.17Å; E573-N576 PolarHBondContact O-N 3.22Å; E573-N576 VanDerWaalsContact O-N 3.07Å; N576-I578 VanDerWaalsContact C-N 3.28Å; N576-I578 PolarHBondContact O-N 2.95Å |
| 577 | G | 85.5 | Confident | 91.8 | Very high | 85 Ų | 85 | 50.8 Ų | 50.8 | 88% | 0.876 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | F575 | F575-G577 PolarHBondContact O-N 3.5Š|
| 578 | I | 88.9 | Confident | 91.5 | Very high | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.082 | 28% | 0.284 | C | S | . | . | trans | -96.3 | 114.7 | -177.4 | -50.5 | -175.9 | 0 | 0 | 0 | 111 | I503 A504 I506 F575 N576 H580 V583 | I503-I578 HydrophobicContact CG2-CG2 3.73Å; A504-I578 HydrophobicContact CB-CD1 4.28Å; A504-I578 HydrophobicContact CB-CG1 4.13Å; I506-I578 HydrophobicContact CG1-CD1 3.91Å; F575-I578 PolarHBondContact O-N 3.45Å; F575-I578 VanDerWaalsContact O-N 3.15Å; N576-I578 VanDerWaalsContact C-N 3.28Å; N576-I578 PolarHBondContact O-N 2.95Å; I578-H580 HydrophobicContact CG2-CB 4.49Å; I578-V583 HydrophobicContact CB-CG1 4.09Å; I578-V583 HydrophobicContact CG2-CB 4.1Å; I578-V583 HydrophobicContact CG2-CG1 3.98Å; I578-V583 HydrophobicContact CG2-CG2 3.78Å | ||
| 579 | S | 85.1 | Confident | 91.2 | Very high | 97 Ų | 97 | 53.9 Ų | 53.9 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | trans | -107.5 | 25 | -172.2 | 68.9 | 0 | 0 | 0 | 0 | 115.2 | K584 | S579-K584 WeakPolarHBondContact O-CE 3.06Š| ||
| 580 | H | 89.1 | Confident | 91.1 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 22% | 0.222 | 27% | 0.273 | C | S | . | . | trans | -82.4 | 147.3 | 180 | -169.4 | -99.5 | 0 | 0 | 0 | 113.6 | L492 I503 I578 T582 V583 K584 | L492-H580 VanDerWaalsContact CD1-CE1 3.43Å; L492-H580 WeakPolarHBondContact CD1-CE1 3.27Å; L492-H580 HydrophobicContact CD2-CB 4.19Å; L492-H580 VanDerWaalsContact CD2-ND1 3.26Å; L492-H580 WeakPolarHBondContact CD2-ND1 3.45Å; I503-H580 HydrophobicContact CD1-CB 4.22Å; I578-H580 HydrophobicContact CG2-CB 4.49Å; H580-T582 PolarHBondContact CE1-OG1 2.85Å; H580-T582 PolarHBondContact ND1-N 3.41Å; H580-T582 PolarHBondContact ND1-OG1 2.89Å; H580-T582 PolarHBondContact O-N 3.05Å; H580-V583 HydrophobicContact CB-CB 4.43Å; H580-V583 HydrophobicContact CB-CG2 4.31Å; H580-V583 PolarHBondContact O-N 3.48Å; H580-V583 VanDerWaalsContact O-N 3.16Å; H580-K584 WeakPolarHBondContact O-CG 3.34Å; H580-K584 PolarHBondContact O-N 2.92Å | ||
| 581 | K | 86.3 | Confident | 91 | Very high | 150 Ų | 150 | 49.5 Ų | 49.5 | 65% | 0.652 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -56.3 | -42.7 | -177.5 | 66 | 179.6 | -179 | 178.8 | 0 | 113.7 | K584 S585 | K581-K584 WeakPolarHBondContact O-CB 3.26Å; K581-K584 PolarHBondContact O-N 3.43Å; K581-S585 PolarHBondContact O-N 2.65Å |
| 582 | T | 88.8 | Confident | 90.9 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 179.5 | -46.4 | 0 | 0 | 0 | 0 | 111.1 | A488 I489 H580 S585 L586 | A488-T582 HydrophobicContact CB-CG2 3.47Å; A488-T582 VanDerWaalsContact CB-CG2 3.47Å; I489-T582 HydrophobicContact CD1-CG2 3.8Å; I489-T582 HydrophobicContact CG1-CG2 4.31Å; H580-T582 PolarHBondContact CE1-OG1 2.85Å; H580-T582 PolarHBondContact ND1-N 3.41Å; H580-T582 PolarHBondContact ND1-OG1 2.89Å; H580-T582 PolarHBondContact O-N 3.05Å; T582-S585 WeakPolarHBondContact O-CB 3.39Å; T582-S585 PolarHBondContact O-N 2.86Å; T582-L586 PolarHBondContact O-N 3.4Å; T582-L586 VanDerWaalsContact O-N 3.12Å |
| 583 | V | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | I489 L492 I506 F575 I578 H580 S585 L586 R587 | I489-V583 HydrophobicContact CD1-CB 4.37Å; I489-V583 HydrophobicContact CD1-CG2 3.59Å; L492-V583 HydrophobicContact CD2-CG2 3.95Å; I506-V583 HydrophobicContact CD1-CG2 3.9Å; F575-V583 HydrophobicContact CB-CG1 3.75Å; F575-V583 HydrophobicContact CD1-CG1 3.55Å; F575-V583 HydrophobicContact CD1-CG2 4.37Å; F575-V583 HydrophobicContact CE1-CG1 4.4Å; F575-V583 HydrophobicContact CG-CG1 3.87Å; I578-V583 HydrophobicContact CB-CG1 4.09Å; I578-V583 HydrophobicContact CG2-CB 4.1Å; I578-V583 HydrophobicContact CG2-CG1 3.98Å; I578-V583 HydrophobicContact CG2-CG2 3.78Å; H580-V583 HydrophobicContact CB-CB 4.43Å; H580-V583 HydrophobicContact CB-CG2 4.31Å; H580-V583 PolarHBondContact O-N 3.48Å; H580-V583 VanDerWaalsContact O-N 3.16Å; V583-S585 VanDerWaalsContact C-N 3.31Å; V583-S585 PolarHBondContact O-N 2.94Å; V583-L586 PolarHBondContact O-N 2.89Å; V583-R587 HydrophobicContact CG1-CG 4.16Å; V583-R587 WeakPolarHBondContact O-CB 3.32Å; V583-R587 VanDerWaalsContact O-CG 3.28Å; V583-R587 WeakPolarHBondContact O-CG 3.49Å; V583-R587 PolarHBondContact O-N 2.98Å |
| 584 | K | 91.6 | Very high | 91.2 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 173.3 | -71 | 179.3 | -176.1 | 179.6 | 0 | 112 | V400 S579 H580 K581 K588 | V400-K584 HydrophobicContact CG1-CB 4.31Å; V400-K584 HydrophobicContact CG1-CD 4.37Å; V400-K584 HydrophobicContact CG2-CB 4.24Å; S579-K584 WeakPolarHBondContact O-CE 3.06Å; H580-K584 WeakPolarHBondContact O-CG 3.34Å; H580-K584 PolarHBondContact O-N 2.92Å; K581-K584 WeakPolarHBondContact O-CB 3.26Å; K581-K584 PolarHBondContact O-N 3.43Å; K584-K588 VanDerWaalsContact O-CB 3.28Å; K584-K588 WeakPolarHBondContact O-CB 3.45Å; K584-K588 PolarHBondContact O-N 2.84Å |
| 585 | S | 90.3 | Very high | 91.5 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 112 | T398 L485 K581 T582 V583 K588 Q589 | T398-S585 PolarHBondContact O-OG 3.22Å; L485-S585 VanDerWaalsContact CD2-OG 3.29Å; L485-S585 WeakPolarHBondContact CD2-OG 3.13Å; K581-S585 PolarHBondContact O-N 2.65Å; T582-S585 WeakPolarHBondContact O-CB 3.39Å; T582-S585 PolarHBondContact O-N 2.86Å; V583-S585 VanDerWaalsContact C-N 3.31Å; V583-S585 PolarHBondContact O-N 2.94Å; S585-K588 WeakPolarHBondContact O-CB 3.39Å; S585-K588 PolarHBondContact O-N 2.74Å; S585-Q589 PolarHBondContact O-N 2.86Å |
| 586 | L | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.1 | -43.1 | 178.2 | -177 | 149.6 | 0 | 0 | 0 | 111.7 | I477 L485 L486 I489 L511 F575 T582 V583 K588 Q589 L590 | I477-L586 HydrophobicContact CG2-CD1 4.09Å; I477-L586 HydrophobicContact CG2-CG 4.44Å; L485-L586 HydrophobicContact CB-CB 4.39Å; L485-L586 HydrophobicContact CB-CD1 4.2Å; L485-L586 HydrophobicContact CD1-CB 4.49Å; L486-L586 HydrophobicContact CD2-CD1 3.96Å; I489-L586 HydrophobicContact CG1-CD1 3.92Å; L511-L586 HydrophobicContact CD2-CD1 4.38Å; F575-L586 HydrophobicContact CD2-CD2 4.28Å; F575-L586 HydrophobicContact CE1-CD2 4.29Å; F575-L586 HydrophobicContact CE2-CD2 3.36Å; F575-L586 HydrophobicContact CZ-CD2 3.35Å; T582-L586 PolarHBondContact O-N 3.4Å; T582-L586 VanDerWaalsContact O-N 3.12Å; V583-L586 PolarHBondContact O-N 2.89Å; L586-K588 VanDerWaalsContact C-N 3.31Å; L586-K588 PolarHBondContact O-N 3.3Å; L586-Q589 PolarHBondContact O-N 3.2Å; L586-Q589 VanDerWaalsContact O-N 3.14Å; L586-L590 HydrophobicContact CD2-CD1 3.47Å; L586-L590 VanDerWaalsContact CD2-CD1 3.47Å; L586-L590 HydrophobicContact CD2-CG 4.02Å; L586-L590 PolarHBondContact O-N 2.73Å |
| 587 | R | 94 | Very high | 92.3 | Very high | 63 Ų | 63 | 48 Ų | 48 | 24% | 0.238 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 174.8 | -75 | 176.9 | 65.5 | 80.5 | -5.5 | 112.1 | L572 F575 V583 Q589 L590 L591 | L572-R587 HydrophobicContact CD2-CB 4.46Å; L572-R587 HydrophobicContact CD2-CG 4.43Å; L572-R587 PolarHBondContact O-NH1 3.33Å; F575-R587 HydrophobicContact CB-CG 3.9Å; F575-R587 HydrophobicContact CD2-CG 3.98Å; F575-R587 HydrophobicContact CG-CG 4.05Å; V583-R587 HydrophobicContact CG1-CG 4.16Å; V583-R587 WeakPolarHBondContact O-CB 3.32Å; V583-R587 VanDerWaalsContact O-CG 3.28Å; V583-R587 WeakPolarHBondContact O-CG 3.49Å; V583-R587 PolarHBondContact O-N 2.98Å; R587-Q589 VanDerWaalsContact C-N 3.27Å; R587-Q589 PolarHBondContact O-N 3.05Å; R587-L590 PolarHBondContact O-N 3.44Å; R587-L591 WeakPolarHBondContact O-CB 3.37Å; R587-L591 VanDerWaalsContact O-CG 3.27Å; R587-L591 WeakPolarHBondContact O-CG 3.46Å; R587-L591 PolarHBondContact O-N 2.57Å |
| 588 | K | 92.2 | Very high | 92.8 | Very high | 87 Ų | 87 | 47.7 Ų | 47.7 | 38% | 0.378 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55 | -44.6 | 175.7 | -177.4 | -172.1 | 179.7 | -167 | 0 | 110.9 | E397 Y399 K584 S585 L586 L591 Y592 | E397-K588 VanDerWaalsContact O-CE 3.26Å; E397-K588 WeakPolarHBondContact O-CE 3.28Å; E397-K588 PolarHBondContact O-NZ 2.93Å; Y399-K588 PolarHBondContact O-NZ 3.19Å; K584-K588 VanDerWaalsContact O-CB 3.28Å; K584-K588 WeakPolarHBondContact O-CB 3.45Å; K584-K588 PolarHBondContact O-N 2.84Å; S585-K588 WeakPolarHBondContact O-CB 3.39Å; S585-K588 PolarHBondContact O-N 2.74Å; L586-K588 VanDerWaalsContact C-N 3.31Å; L586-K588 PolarHBondContact O-N 3.3Å; K588-L591 PolarHBondContact O-N 2.82Å; K588-Y592 PolarHBondContact O-N 3.47Å |
| 589 | Q | 92.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70 | -41.6 | 179.2 | -64.6 | -56.8 | -21.1 | 0 | 0 | 113.3 | E397 T398 Q473 I477 L485 S585 L586 R587 L591 Y592 L593 | E397-Q589 PolarHBondContact O-NE2 2.7Å; T398-Q589 HydrophobicContact CG2-CG 4.46Å; Q473-Q589 VanDerWaalsContact OE1-OE1 3.12Å; I477-Q589 HydrophobicContact CD1-CB 4.06Å; I477-Q589 HydrophobicContact CG1-CB 3.93Å; L485-Q589 HydrophobicContact CD1-CB 4.34Å; L485-Q589 HydrophobicContact CD1-CG 3.69Å; S585-Q589 PolarHBondContact O-N 2.86Å; L586-Q589 PolarHBondContact O-N 3.2Å; L586-Q589 VanDerWaalsContact O-N 3.14Å; R587-Q589 VanDerWaalsContact C-N 3.27Å; R587-Q589 PolarHBondContact O-N 3.05Å; Q589-L591 VanDerWaalsContact C-N 3.32Å; Q589-L591 PolarHBondContact O-N 2.89Å; Q589-Y592 PolarHBondContact O-N 2.96Å; Q589-L593 PolarHBondContact O-N 3.31Å |
| 590 | L | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | 173.7 | -71.9 | 177 | 0 | 0 | 0 | 112.3 | I477 M515 L568 T571 L572 F575 L586 R587 K594 | I477-L590 HydrophobicContact CD1-CD2 3.8Å; I477-L590 HydrophobicContact CD1-CG 4.26Å; M515-L590 HydrophobicContact SD-CD2 3.92Å; L568-L590 HydrophobicContact CD2-CD2 3.78Å; T571-L590 HydrophobicContact CG2-CD1 3.91Å; T571-L590 HydrophobicContact CG2-CD2 4.43Å; L572-L590 HydrophobicContact CD2-CB 3.62Å; L572-L590 HydrophobicContact CD2-CD1 4.03Å; L572-L590 HydrophobicContact CG-CB 4.02Å; L572-L590 HydrophobicContact CG-CD1 4.31Å; F575-L590 HydrophobicContact CE2-CD1 3.97Å; L586-L590 HydrophobicContact CD2-CD1 3.47Å; L586-L590 VanDerWaalsContact CD2-CD1 3.47Å; L586-L590 HydrophobicContact CD2-CG 4.02Å; L586-L590 PolarHBondContact O-N 2.73Å; R587-L590 PolarHBondContact O-N 3.44Å; L590-K594 VanDerWaalsContact O-CB 3.3Å; L590-K594 WeakPolarHBondContact O-CB 3.43Å; L590-K594 PolarHBondContact O-N 3.08Å |
| 591 | L | 95.2 | Very high | 94.1 | Very high | 63 Ų | 63 | 43.9 Ų | 43.9 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.8 | -44.6 | 175.8 | -73.9 | 168.8 | 0 | 0 | 0 | 111.4 | L572 R587 K588 Q589 L593 K594 D595 | L572-L591 HydrophobicContact CD1-CD2 3.75Å; L572-L591 HydrophobicContact CD1-CG 4.33Å; L572-L591 HydrophobicContact CD2-CD2 4.25Å; L572-L591 HydrophobicContact CD2-CG 4.06Å; R587-L591 WeakPolarHBondContact O-CB 3.37Å; R587-L591 VanDerWaalsContact O-CG 3.27Å; R587-L591 WeakPolarHBondContact O-CG 3.46Å; R587-L591 PolarHBondContact O-N 2.57Å; K588-L591 PolarHBondContact O-N 2.82Å; Q589-L591 VanDerWaalsContact C-N 3.32Å; Q589-L591 PolarHBondContact O-N 2.89Å; L591-L593 PolarHBondContact O-N 3.25Å; L591-K594 PolarHBondContact O-N 3.39Å; L591-D595 WeakPolarHBondContact O-CB 3.35Å; L591-D595 VanDerWaalsContact O-CG 3.23Å; L591-D595 PolarHBondContact O-N 3.48Å |
| 592 | Y | 93.9 | Very high | 94.6 | Very high | 91 Ų | 91 | 41.5 Ų | 41.5 | 36% | 0.357 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -55.2 | -50 | 174.5 | 171.1 | -91.9 | 0 | 0 | 0 | 111.8 | D469 Q473 K588 Q589 K594 D595 K596 | D469-Y592 PolarHBondContact OD2-OH 2.88Å; Q473-Y592 HydrophobicContact CB-CE1 4.46Å; Q473-Y592 HydrophobicContact CG-CD1 4.28Å; Q473-Y592 HydrophobicContact CG-CE1 3.71Å; K588-Y592 PolarHBondContact O-N 3.47Å; Q589-Y592 PolarHBondContact O-N 2.96Å; Y592-K594 PolarHBondContact O-N 3.01Å; Y592-D595 PolarHBondContact O-N 3.49Å; Y592-K596 HydrophobicContact CE1-CD 4.06Å; Y592-K596 VanDerWaalsContact O-CB 3.3Å; Y592-K596 WeakPolarHBondContact O-CB 3.48Å; Y592-K596 PolarHBondContact O-N 3.49Å; Y592-K596 PolarHBondContact OH-NZ 2.73Å |
| 593 | L | 96.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 176.9 | -74.7 | 168.7 | 0 | 0 | 0 | 111.5 | I470 Q473 L474 I477 L568 Q589 L591 D595 K596 F597 | I470-L593 HydrophobicContact CD1-CD2 3.93Å; I470-L593 HydrophobicContact CG2-CD2 4.25Å; Q473-L593 HydrophobicContact CB-CD2 3.77Å; Q473-L593 HydrophobicContact CB-CG 4.39Å; L474-L593 HydrophobicContact CD2-CD1 3.52Å; L474-L593 HydrophobicContact CG-CD1 4.15Å; L474-L593 HydrophobicContact CG-CD2 4.42Å; I477-L593 HydrophobicContact CD1-CD1 3.76Å; L568-L593 HydrophobicContact CD1-CB 4.18Å; L568-L593 HydrophobicContact CD2-CB 4.36Å; Q589-L593 PolarHBondContact O-N 3.31Å; L591-L593 PolarHBondContact O-N 3.25Å; L593-D595 PolarHBondContact O-N 3.25Å; L593-K596 PolarHBondContact O-N 3.1Å; L593-F597 HydrophobicContact CB-CE2 4.39Å; L593-F597 HydrophobicContact CD2-CE2 4.31Å; L593-F597 WeakPolarHBondContact O-CD2 3.45Å; L593-F597 PolarHBondContact O-N 2.83Å |
| 594 | K | 97.6 | Very high | 95.1 | Very high | 43 Ų | 43 | 41 Ų | 41 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57 | -50.3 | 178.8 | 171.2 | -174.4 | 162.2 | 173.2 | 0 | 111.3 | L568 N569 L572 L590 L591 Y592 K596 F597 K598 | L568-K594 HydrophobicContact CB-CB 4.33Å; L568-K594 HydrophobicContact CD1-CB 4.16Å; N569-K594 WeakPolarHBondContact OD1-CD 3.18Å; N569-K594 WeakPolarHBondContact OD1-CE 3.27Å; N569-K594 PolarHBondContact OD1-NZ 3Å; L572-K594 HydrophobicContact CD1-CD 3.78Å; L590-K594 VanDerWaalsContact O-CB 3.3Å; L590-K594 WeakPolarHBondContact O-CB 3.43Å; L590-K594 PolarHBondContact O-N 3.08Å; L591-K594 PolarHBondContact O-N 3.39Å; Y592-K594 PolarHBondContact O-N 3.01Å; K594-K596 VanDerWaalsContact C-N 3.3Å; K594-K596 PolarHBondContact O-N 2.69Å; K594-F597 PolarHBondContact O-N 2.73Å; K594-K598 WeakPolarHBondContact O-CB 3.39Å; K594-K598 PolarHBondContact O-N 3.16Å |
| 595 | D | 95.5 | Very high | 95.4 | Very high | 77 Ų | 77 | 42 Ų | 42 | 41% | 0.412 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.8 | -39.7 | -177.4 | -67.2 | -20.7 | 0 | 0 | 0 | 110.3 | L591 Y592 L593 K598 N599 | L591-D595 WeakPolarHBondContact O-CB 3.35Å; L591-D595 VanDerWaalsContact O-CG 3.23Å; L591-D595 PolarHBondContact O-N 3.48Å; Y592-D595 PolarHBondContact O-N 3.49Å; L593-D595 PolarHBondContact O-N 3.25Å; D595-K598 PolarHBondContact O-N 3.01Å; D595-N599 WeakPolarHBondContact O-CB 3.12Å; D595-N599 PolarHBondContact O-N 3.4Å; D595-N599 PolarHBondContact O-ND2 2.89Å; D595-N599 PolarHBondContact O-OD1 2.84Å |
| 596 | K | 95.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 44.5 Ų | 44.5 | 17% | 0.174 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -49.6 | 175.2 | -172.9 | 157.2 | -174.7 | 156.4 | 0 | 112.8 | E464 L465 D469 I470 Y592 L593 K594 I600 | E464-K596 WeakPolarHBondContact O-CE 3.47Å; E464-K596 PolarHBondContact O-NZ 3.39Å; L465-K596 HydrophobicContact CD1-CD 4.47Å; L465-K596 HydrophobicContact CD1-CG 4Å; D469-K596 IonicContact OD2-NZ 2.7Å; D469-K596 PolarHBondContact OD2-NZ 3.38Å; I470-K596 HydrophobicContact CD1-CD 3.76Å; I470-K596 HydrophobicContact CD1-CG 4.24Å; Y592-K596 HydrophobicContact CE1-CD 4.06Å; Y592-K596 VanDerWaalsContact O-CB 3.3Å; Y592-K596 WeakPolarHBondContact O-CB 3.48Å; Y592-K596 PolarHBondContact O-N 3.49Å; Y592-K596 PolarHBondContact OH-NZ 2.73Å; L593-K596 PolarHBondContact O-N 3.1Å; K594-K596 VanDerWaalsContact C-N 3.3Å; K594-K596 PolarHBondContact O-N 2.69Å; K596-I600 WeakPolarHBondContact O-CG1 3.43Å; K596-I600 PolarHBondContact O-N 3.47Å |
| 597 | F | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.2 | -40.9 | 176.5 | -71 | -63.1 | 0 | 0 | 0 | 112.3 | L465 I470 L525 L561 I564 I565 L568 L593 K594 I600 E601 | L465-F597 HydrophobicContact CD1-CD1 3.95Å; L465-F597 HydrophobicContact CD1-CE1 3.91Å; L465-F597 HydrophobicContact CD2-CD1 4.17Å; L465-F597 HydrophobicContact CD2-CE1 4.2Å; I470-F597 HydrophobicContact CD1-CZ 4.2Å; I470-F597 HydrophobicContact CG1-CZ 4.33Å; I470-F597 HydrophobicContact CG2-CE2 4.42Å; I470-F597 HydrophobicContact CG2-CZ 3.74Å; L525-F597 HydrophobicContact CD2-CD1 4.42Å; L525-F597 HydrophobicContact CD2-CE1 3.86Å; L561-F597 HydrophobicContact CD2-CB 4.36Å; L561-F597 HydrophobicContact CD2-CD1 3.58Å; L561-F597 HydrophobicContact CD2-CE1 4.36Å; L561-F597 HydrophobicContact CD2-CG 4.42Å; I564-F597 HydrophobicContact CD1-CE1 4.03Å; I564-F597 HydrophobicContact CD1-CZ 4.18Å; I564-F597 HydrophobicContact CG2-CD1 4.5Å; I564-F597 HydrophobicContact CG2-CD2 3.57Å; I564-F597 HydrophobicContact CG2-CE1 4.4Å; I564-F597 HydrophobicContact CG2-CE2 3.49Å; I564-F597 VanDerWaalsContact CG2-CE2 3.49Å; I564-F597 HydrophobicContact CG2-CG 4.1Å; I564-F597 HydrophobicContact CG2-CZ 3.89Å; I565-F597 HydrophobicContact CD1-CB 4.07Å; I565-F597 HydrophobicContact CG1-CB 3.72Å; L568-F597 HydrophobicContact CD1-CD2 3.75Å; L568-F597 HydrophobicContact CD1-CE2 4.17Å; L593-F597 HydrophobicContact CB-CE2 4.39Å; L593-F597 HydrophobicContact CD2-CE2 4.31Å; L593-F597 WeakPolarHBondContact O-CD2 3.45Å; L593-F597 PolarHBondContact O-N 2.83Å; K594-F597 PolarHBondContact O-N 2.73Å; F597-I600 PolarHBondContact O-N 3.37Å; F597-E601 WeakPolarHBondContact O-CB 3.41Å; F597-E601 PolarHBondContact O-N 3.42Å |
| 598 | K | 97.4 | Very high | 95.6 | Very high | 78 Ų | 78 | 47.8 Ų | 47.8 | 34% | 0.339 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | -178.5 | -176 | 179.8 | 176 | -171.4 | 0 | 112.1 | I565 K594 D595 I600 E601 Q602 | I565-K598 HydrophobicContact CD1-CB 4.22Å; K594-K598 WeakPolarHBondContact O-CB 3.39Å; K594-K598 PolarHBondContact O-N 3.16Å; D595-K598 PolarHBondContact O-N 3.01Å; K598-I600 VanDerWaalsContact C-N 3.33Å; K598-I600 PolarHBondContact O-N 3.37Å; K598-E601 PolarHBondContact O-N 3.4Å; K598-Q602 VanDerWaalsContact CE-NE2 3.29Å; K598-Q602 HydrophobicContact CG-CG 4.35Å; K598-Q602 WeakPolarHBondContact O-CB 3.39Å; K598-Q602 VanDerWaalsContact O-CG 3.28Å; K598-Q602 WeakPolarHBondContact O-CG 3.31Å; K598-Q602 PolarHBondContact O-N 3.11Å |
| 599 | N | 95 | Very high | 95.8 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 35% | 0.353 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 177.2 | -69.8 | -10.7 | 0 | 0 | 0 | 110.9 | D595 Q602 S603 | D595-N599 WeakPolarHBondContact O-CB 3.12Å; D595-N599 PolarHBondContact O-N 3.4Å; D595-N599 PolarHBondContact O-ND2 2.89Å; D595-N599 PolarHBondContact O-OD1 2.84Å; N599-Q602 PolarHBondContact O-N 3.33Å; N599-S603 WeakPolarHBondContact O-CB 3.34Å; N599-S603 PolarHBondContact O-N 3.17Å; N599-S603 PolarHBondContact O-OG 3.38Å |
| 600 | I | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 175.8 | -60.8 | -72.4 | 0 | 0 | 0 | 111.1 | N463 L465 L561 K596 F597 K598 Q602 S603 L604 L625 V627 | N463-I600 HydrophobicContact CB-CD1 3.93Å; L465-I600 HydrophobicContact CB-CD1 4.14Å; L465-I600 HydrophobicContact CB-CG1 4.07Å; L465-I600 HydrophobicContact CD2-CG2 4.43Å; L561-I600 HydrophobicContact CD1-CG2 3.82Å; K596-I600 WeakPolarHBondContact O-CG1 3.43Å; K596-I600 PolarHBondContact O-N 3.47Å; F597-I600 PolarHBondContact O-N 3.37Å; K598-I600 VanDerWaalsContact C-N 3.33Å; K598-I600 PolarHBondContact O-N 3.37Å; I600-Q602 VanDerWaalsContact C-N 3.33Å; I600-Q602 PolarHBondContact O-N 3.19Å; I600-S603 PolarHBondContact O-N 2.87Å; I600-L604 HydrophobicContact CG2-CD1 3.92Å; I600-L604 HydrophobicContact CG2-CG 4.27Å; I600-L604 WeakPolarHBondContact O-CB 3.19Å; I600-L604 VanDerWaalsContact O-CG 3.31Å; I600-L604 WeakPolarHBondContact O-CG 3.25Å; I600-L604 PolarHBondContact O-N 2.86Å; I600-L625 HydrophobicContact CG2-CD2 3.87Å; I600-V627 HydrophobicContact CD1-CB 4.39Å; I600-V627 HydrophobicContact CD1-CG2 3.97Å; I600-V627 HydrophobicContact CG2-CG2 4.29Å |
| 601 | E | 97.9 | Very high | 96 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 178.3 | -171 | -161.4 | -164.9 | 0 | 0 | 111.4 | L558 L561 H562 I565 F597 K598 K605 | L558-E601 HydrophobicContact CD2-CG 4.03Å; L561-E601 HydrophobicContact CB-CB 4.27Å; L561-E601 HydrophobicContact CB-CG 4.34Å; L561-E601 HydrophobicContact CD1-CB 4.25Å; H562-E601 IonicContact CG-OE1 2.64Å; H562-E601 IonicContact ND1-OE1 2.84Å; H562-E601 PolarHBondContact ND1-OE1 3.49Å; H562-E601 VanDerWaalsContact ND1-OE1 3.16Å; I565-E601 HydrophobicContact CD1-CB 3.83Å; I565-E601 HydrophobicContact CD1-CG 4.21Å; I565-E601 WeakPolarHBondContact CD1-OE2 3.48Å; F597-E601 WeakPolarHBondContact O-CB 3.41Å; F597-E601 PolarHBondContact O-N 3.42Å; K598-E601 PolarHBondContact O-N 3.4Å; E601-K605 HydrophobicContact CG-CD 4.31Å; E601-K605 WeakPolarHBondContact O-CB 3.32Å; E601-K605 VanDerWaalsContact O-CG 3.29Å; E601-K605 WeakPolarHBondContact O-CG 3.36Å; E601-K605 PolarHBondContact O-N 3.1Å; E601-K605 WeakPolarHBondContact OE1-CE 3.39Å; E601-K605 IonicContact OE1-NZ 2.8Å; E601-K605 PolarHBondContact OE1-NZ 3.41Å; E601-K605 IonicContact OE2-NZ 3.42Å |
| 602 | Q | 96.9 | Very high | 96.1 | Very high | 100 Ų | 100 | 43.3 Ų | 43.3 | 47% | 0.467 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -45.9 | -179.8 | -74 | -178.5 | -22.9 | 0 | 0 | 112 | K598 N599 I600 K605 A606 | K598-Q602 VanDerWaalsContact CE-NE2 3.29Å; K598-Q602 HydrophobicContact CG-CG 4.35Å; K598-Q602 WeakPolarHBondContact O-CB 3.39Å; K598-Q602 VanDerWaalsContact O-CG 3.28Å; K598-Q602 WeakPolarHBondContact O-CG 3.31Å; K598-Q602 PolarHBondContact O-N 3.11Å; N599-Q602 PolarHBondContact O-N 3.33Å; I600-Q602 VanDerWaalsContact C-N 3.33Å; I600-Q602 PolarHBondContact O-N 3.19Å; Q602-K605 PolarHBondContact O-N 3.46Å; Q602-A606 WeakPolarHBondContact O-CB 3.36Å; Q602-A606 PolarHBondContact O-N 3.48Å |
| 603 | S | 95.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.2 | -38.9 | -179.5 | -69.6 | 0 | 0 | 0 | 0 | 112.8 | N599 I600 A606 G607 H608 V627 D629 | N599-S603 WeakPolarHBondContact O-CB 3.34Å; N599-S603 PolarHBondContact O-N 3.17Å; N599-S603 PolarHBondContact O-OG 3.38Å; I600-S603 PolarHBondContact O-N 2.87Å; S603-A606 PolarHBondContact O-N 2.63Å; S603-G607 PolarHBondContact O-N 2.78Å; S603-H608 WeakPolarHBondContact CB-ND1 3.25Å; S603-H608 VanDerWaalsContact O-CB 3.31Å; S603-H608 WeakPolarHBondContact O-CB 3.31Å; S603-H608 PolarHBondContact O-N 2.83Å; S603-H608 VanDerWaalsContact O-N 3.12Å; S603-H608 PolarHBondContact OG-ND1 3.49Å; S603-V627 VanDerWaalsContact CB-CG1 3.45Å; S603-D629 VanDerWaalsContact CB-OD1 3.26Å; S603-D629 WeakPolarHBondContact CB-OD1 3.27Å; S603-D629 PolarHBondContact OG-OD1 3.15Å |
| 604 | L | 96.5 | Very high | 96.1 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 172.9 | -70.5 | -180 | 0 | 0 | 0 | 112 | T554 I557 L558 L561 I600 A606 G607 L625 V627 | T554-L604 HydrophobicContact CG2-CD2 4.03Å; I557-L604 HydrophobicContact CG2-CD1 3.91Å; L558-L604 HydrophobicContact CD2-CB 3.73Å; L558-L604 HydrophobicContact CD2-CD1 4.33Å; L558-L604 HydrophobicContact CG-CB 4.34Å; L561-L604 HydrophobicContact CD1-CD1 3.94Å; I600-L604 HydrophobicContact CG2-CD1 3.92Å; I600-L604 HydrophobicContact CG2-CG 4.27Å; I600-L604 WeakPolarHBondContact O-CB 3.19Å; I600-L604 VanDerWaalsContact O-CG 3.31Å; I600-L604 WeakPolarHBondContact O-CG 3.25Å; I600-L604 PolarHBondContact O-N 2.86Å; L604-A606 VanDerWaalsContact C-N 3.27Å; L604-A606 PolarHBondContact O-N 3.18Å; L604-G607 PolarHBondContact O-N 2.7Å; L604-G607 VanDerWaalsContact O-N 3.11Å; L604-L625 HydrophobicContact CD1-CD2 4.26Å; L604-V627 HydrophobicContact CD2-CG1 4.49Å; L604-V627 HydrophobicContact CD2-CG2 3.83Å; L604-V627 HydrophobicContact CG-CG2 4.18Å |
| 605 | K | 96.4 | Very high | 95.8 | Very high | 124 Ų | 124 | 42.8 Ų | 42.8 | 54% | 0.539 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.3 | -33.1 | 174.5 | -78 | 176.2 | -176 | 171.3 | 0 | 112.7 | L558 E601 Q602 G607 | L558-K605 HydrophobicContact CD1-CG 4.19Å; L558-K605 HydrophobicContact CD2-CG 3.82Å; E601-K605 HydrophobicContact CG-CD 4.31Å; E601-K605 WeakPolarHBondContact O-CB 3.32Å; E601-K605 VanDerWaalsContact O-CG 3.29Å; E601-K605 WeakPolarHBondContact O-CG 3.36Å; E601-K605 PolarHBondContact O-N 3.1Å; E601-K605 WeakPolarHBondContact OE1-CE 3.39Å; E601-K605 IonicContact OE1-NZ 2.8Å; E601-K605 PolarHBondContact OE1-NZ 3.41Å; E601-K605 IonicContact OE2-NZ 3.42Å; Q602-K605 PolarHBondContact O-N 3.46Å; K605-G607 PolarHBondContact O-N 2.96Å |
| 606 | A | 94.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 41.8 Ų | 41.8 | 51% | 0.512 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -3.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q602 S603 L604 H608 | Q602-A606 WeakPolarHBondContact O-CB 3.36Å; Q602-A606 PolarHBondContact O-N 3.48Å; S603-A606 PolarHBondContact O-N 2.63Å; L604-A606 VanDerWaalsContact C-N 3.27Å; L604-A606 PolarHBondContact O-N 3.18Å; A606-H608 VanDerWaalsContact C-N 3.31Å |
| 607 | G | 92.9 | Very high | 95 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 68% | 0.68 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 24.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S603 L604 K605 | S603-G607 PolarHBondContact O-N 2.78Å; L604-G607 PolarHBondContact O-N 2.7Å; L604-G607 VanDerWaalsContact O-N 3.11Å; K605-G607 PolarHBondContact O-N 2.96Å |
| 608 | H | 94.8 | Very high | 94.6 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 31% | 0.306 | 27% | 0.268 | S | S | . | . | trans | -65.2 | 149.4 | 179.2 | -69.2 | 170.8 | 0 | 0 | 0 | 112.5 | S603 A606 S610 V627 K628 D629 | S603-H608 WeakPolarHBondContact CB-ND1 3.25Å; S603-H608 VanDerWaalsContact O-CB 3.31Å; S603-H608 WeakPolarHBondContact O-CB 3.31Å; S603-H608 PolarHBondContact O-N 2.83Å; S603-H608 VanDerWaalsContact O-N 3.12Å; S603-H608 PolarHBondContact OG-ND1 3.49Å; A606-H608 VanDerWaalsContact C-N 3.31Å; H608-S610 PolarHBondContact O-N 3.39Å; H608-V627 HydrophobicContact CB-CG1 3.93Å; H608-K628 VanDerWaalsContact CB-O 3.32Å; H608-K628 WeakPolarHBondContact CB-O 3.13Å; H608-D629 PolarHBondContact CE1-O 3.41Å; H608-D629 PolarHBondContact ND1-O 3.3Å | ||
| 609 | T | 95.5 | Very high | 94.4 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 23% | 0.233 | 27% | 0.272 | C | S | . | . | trans | -56.7 | 125.2 | 177.8 | -52.5 | 0 | 0 | 0 | 0 | 110.2 | K628 W813 L814 | T609-K628 PolarHBondContact O-N 3.07Å; T609-W813 HydrophobicContact CG2-CG 4.44Å; T609-L814 HydrophobicContact CG2-CD2 4.34Å | ||
| 610 | S | 96.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 159.6 | -178.8 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | F552 H608 Y626 W813 | F552-S610 WeakPolarHBondContact CZ-OG 3.3Å; H608-S610 PolarHBondContact O-N 3.39Å; S610-Y626 CarbonylContact C-O 3.53Å; S610-Y626 WeakPolarHBondContact CA-O 3.5Å; S610-Y626 WeakPolarHBondContact CB-O 3.48Å; S610-W813 PolarHBondContact O-NE1 3.35Å |
| 611 | F | 96.8 | Very high | 94.1 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 153.8 | 172.3 | 73.9 | -79.4 | 0 | 0 | 0 | 110.3 | N548 V549 F550 Y626 A810 L814 | N548-F611 HydrophobicContact CB-CD2 4.39Å; V549-F611 WeakPolarHBondContact O-CA 3.48Å; V549-F611 WeakPolarHBondContact O-CB 3.39Å; F550-F611 HydrophobicContact CD1-CB 3.57Å; F550-F611 HydrophobicContact CD1-CG 4.17Å; F550-F611 HydrophobicContact CE1-CB 3.97Å; F550-F611 HydrophobicContact CE1-CD2 4.15Å; F550-F611 HydrophobicContact CE1-CG 4.05Å; F611-Y626 HydrophobicContact CD1-CG 4.43Å; F611-Y626 HydrophobicContact CD2-CD2 4.28Å; F611-Y626 AromaticContact CE1-CD2 3.91Å; F611-Y626 HydrophobicContact CE1-CD2 3.91Å; F611-Y626 AromaticContact CE1-CG 3.67Å; F611-Y626 HydrophobicContact CE1-CG 3.67Å; F611-Y626 AromaticContact CE2-CD2 3.55Å; F611-Y626 HydrophobicContact CE2-CD2 3.55Å; F611-Y626 HydrophobicContact CE2-CE2 4.19Å; F611-Y626 HydrophobicContact CE2-CG 4.2Å; F611-Y626 HydrophobicContact CZ-CD1 4.37Å; F611-Y626 AromaticContact CZ-CD2 3.32Å; F611-Y626 HydrophobicContact CZ-CD2 3.32Å; F611-Y626 HydrophobicContact CZ-CE2 4.04Å; F611-Y626 AromaticContact CZ-CG 3.52Å; F611-Y626 HydrophobicContact CZ-CG 3.52Å; F611-Y626 PolarHBondContact N-O 3.29Å; F611-Y626 PolarHBondContact O-N 3.06Å; F611-A810 HydrophobicContact CE1-CB 4.07Å; F611-A810 HydrophobicContact CE2-CB 3.86Å; F611-A810 HydrophobicContact CZ-CB 3.5Å; F611-A810 VanDerWaalsContact CZ-CB 3.5Å; F611-L814 HydrophobicContact CD1-CD2 3.93Å; F611-L814 HydrophobicContact CD1-CG 4.38Å; F611-L814 HydrophobicContact CE1-CD1 3.97Å; F611-L814 HydrophobicContact CE1-CD2 3.88Å; F611-L814 HydrophobicContact CE1-CG 4.01Å |
| 612 | I | 97.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.5 | 173.4 | -58.6 | 156.7 | 0 | 0 | 0 | 108 | I529 I532 I533 N548 V549 F552 I623 R624 L625 | I529-I612 HydrophobicContact CG2-CD1 3.89Å; I529-I612 HydrophobicContact CG2-CG1 4.17Å; I529-I612 HydrophobicContact CG2-CG2 3.87Å; I532-I612 HydrophobicContact CG2-CD1 3.94Å; I533-I612 HydrophobicContact CD1-CG2 3.5Å; I533-I612 VanDerWaalsContact CD1-CG2 3.5Å; I533-I612 HydrophobicContact CG1-CB 4.49Å; I533-I612 HydrophobicContact CG1-CG2 3.72Å; N548-I612 CarbonylContact C-O 3.55Å; N548-I612 VanDerWaalsContact CA-O 3.3Å; N548-I612 WeakPolarHBondContact CA-O 3.48Å; V549-I612 HydrophobicContact CB-CB 4.3Å; V549-I612 PolarHBondContact N-O 3.43Å; V549-I612 PolarHBondContact O-N 3.37Å; F552-I612 HydrophobicContact CB-CD1 4.5Å; F552-I612 HydrophobicContact CD1-CD1 3.93Å; F552-I612 HydrophobicContact CD1-CG1 4.31Å; F552-I612 HydrophobicContact CD2-CD1 3.83Å; F552-I612 HydrophobicContact CE1-CD1 4.11Å; F552-I612 HydrophobicContact CE1-CG1 4.04Å; F552-I612 HydrophobicContact CE2-CD1 3.98Å; F552-I612 HydrophobicContact CE2-CG1 4.28Å; F552-I612 HydrophobicContact CG-CD1 3.81Å; F552-I612 HydrophobicContact CZ-CD1 4.13Å; F552-I612 HydrophobicContact CZ-CG1 4.01Å; I612-I623 HydrophobicContact CG2-CG2 4.16Å; I612-R624 CarbonylContact C-O 3.59Å; I612-R624 WeakPolarHBondContact CA-O 3.44Å; I612-L625 HydrophobicContact CG1-CD1 3.89Å |
| 613 | S | 95.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138.3 | 174.2 | -162.8 | 0 | 0 | 0 | 0 | 110.4 | H547 N548 R624 | H547-S613 CarbonylContact O-C 3.56Å; H547-S613 WeakPolarHBondContact O-CA 3.28Å; N548-S613 WeakPolarHBondContact OD1-CB 3.38Å; N548-S613 PolarHBondContact OD1-OG 3.48Å; S613-R624 PolarHBondContact N-O 2.91Å; S613-R624 PolarHBondContact O-N 2.76Å |
| 614 | I | 94.9 | Very high | 94 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 134.7 | 177.5 | -168 | 174.3 | 0 | 0 | 0 | 110 | F530 I533 H547 N616 L617 T622 I623 | F530-I614 HydrophobicContact CD2-CD1 4.19Å; F530-I614 HydrophobicContact CE2-CD1 4.03Å; I533-I614 HydrophobicContact CD1-CB 4.24Å; I533-I614 HydrophobicContact CD1-CD1 4.12Å; I533-I614 HydrophobicContact CD1-CG2 4.4Å; I533-I614 HydrophobicContact CG2-CG2 4.25Å; H547-I614 HydrophobicContact CB-CG2 3.74Å; H547-I614 WeakPolarHBondContact CB-O 3.35Å; H547-I614 PolarHBondContact CD2-O 3.28Å; H547-I614 PolarHBondContact N-O 3.45Å; H547-I614 PolarHBondContact O-N 2.89Å; I614-N616 VanDerWaalsContact CD1-O 3.23Å; I614-N616 WeakPolarHBondContact CD1-O 3.45Å; I614-N616 WeakPolarHBondContact CG1-O 3.5Å; I614-L617 HydrophobicContact CG2-CD2 3.79Å; I614-T622 VanDerWaalsContact CG1-OG1 3.23Å; I614-T622 WeakPolarHBondContact CG1-OG1 3.37Å; I614-I623 HydrophobicContact CB-CG1 4.48Å; I614-I623 HydrophobicContact CD1-CD1 4.48Å; I614-I623 HydrophobicContact CD1-CG1 3.73Å; I614-I623 HydrophobicContact CG1-CG1 4.02Å |
| 615 | K | 90 | Very high | 94.1 | Very high | 117 Ų | 117 | 49.3 Ų | 49.3 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -80.6 | -36.6 | -178.5 | -168.8 | 179.7 | 178 | 179.8 | 0 | 112.3 | F546 T622 | F546-K615 HydrophobicContact CD1-CB 3.88Å; F546-K615 HydrophobicContact CD1-CG 4.36Å; F546-K615 HydrophobicContact CE1-CB 3.72Å; F546-K615 HydrophobicContact CE1-CD 4.5Å; F546-K615 HydrophobicContact CE1-CG 4.12Å; K615-T622 HydrophobicContact CB-CG2 4.19Å; K615-T622 PolarHBondContact N-OG1 3.44Å |
| 616 | N | 86.9 | Confident | 94.1 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | trans | -134.9 | 119.2 | 177.4 | 177.9 | -15.9 | 0 | 0 | 0 | 108.7 | I614 S618 Q619 T622 | I614-N616 VanDerWaalsContact CD1-O 3.23Å; I614-N616 WeakPolarHBondContact CD1-O 3.45Å; I614-N616 WeakPolarHBondContact CG1-O 3.5Å; N616-S618 PolarHBondContact ND2-OG 2.95Å; N616-S618 PolarHBondContact O-N 2.75Å; N616-S618 PolarHBondContact OD1-N 3.2Å; N616-S618 PolarHBondContact OD1-OG 3.46Å; N616-Q619 HydrophobicContact CB-CB 4.05Å; N616-Q619 HydrophobicContact CB-CG 4.13Å; N616-Q619 PolarHBondContact ND2-NE2 2.88Å; N616-Q619 PolarHBondContact ND2-OE1 2.89Å; N616-Q619 PolarHBondContact O-N 3.49Å; N616-T622 PolarHBondContact N-OG1 3.43Å | ||
| 617 | L | 88.3 | Confident | 94.2 | Very high | 68 Ų | 68 | 42.3 Ų | 42.3 | 36% | 0.356 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.5 | -177.2 | -68.9 | 168.2 | 0 | 0 | 0 | 114 | F530 I533 V538 H547 I614 | F530-L617 VanDerWaalsContact CE2-O 3.25Å; F530-L617 WeakPolarHBondContact CE2-O 3.14Å; F530-L617 WeakPolarHBondContact CZ-O 3.39Å; I533-L617 HydrophobicContact CG2-CD2 4.23Å; V538-L617 HydrophobicContact CG1-CD2 4.02Å; V538-L617 HydrophobicContact CG2-CD2 4.22Å; H547-L617 HydrophobicContact CB-CD2 4Å; H547-L617 HydrophobicContact CB-CG 4.42Å; I614-L617 HydrophobicContact CG2-CD2 3.79Å |
| 618 | S | 90 | Very high | 94.4 | Very high | 92 Ų | 92 | 39.6 Ų | 39.6 | 64% | 0.643 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -7.7 | 176 | 65 | 0 | 0 | 0 | 0 | 114.4 | N616 | N616-S618 PolarHBondContact ND2-OG 2.95Å; N616-S618 PolarHBondContact O-N 2.75Å; N616-S618 PolarHBondContact OD1-N 3.2Å; N616-S618 PolarHBondContact OD1-OG 3.46Å |
| 619 | Q | 91.8 | Very high | 94.2 | Very high | 92 Ų | 92 | 36.7 Ų | 36.7 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | trans | -120.2 | 94.4 | -169.9 | -64.1 | -179.6 | -12.5 | 0 | 0 | 112.2 | N616 S621 T622 | N616-Q619 HydrophobicContact CB-CB 4.05Å; N616-Q619 HydrophobicContact CB-CG 4.13Å; N616-Q619 PolarHBondContact ND2-NE2 2.88Å; N616-Q619 PolarHBondContact ND2-OE1 2.89Å; N616-Q619 PolarHBondContact O-N 3.49Å; Q619-S621 PolarHBondContact O-N 3.44Å; Q619-T622 HydrophobicContact CB-CG2 4.12Å; Q619-T622 PolarHBondContact O-N 2.88Å; Q619-T622 PolarHBondContact O-OG1 2.98Å | ||
| 620 | K | 92.9 | Very high | 94 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 21% | 0.213 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -47.7 | -33 | 173.2 | -173.7 | 179.6 | 79.5 | 167.2 | 0 | 113.7 | E523 F526 S527 F530 T622 I623 | E523-K620 IonicContact OE2-NZ 3.25Å; E523-K620 PolarHBondContact OE2-NZ 2.98Å; F526-K620 HydrophobicContact CB-CD 4.24Å; F526-K620 HydrophobicContact CB-CG 4.32Å; S527-K620 PolarHBondContact OG-NZ 3.28Å; S527-K620 VanDerWaalsContact OG-NZ 3.12Å; F530-K620 HydrophobicContact CB-CD 4.41Å; F530-K620 HydrophobicContact CB-CG 4.18Å; F530-K620 HydrophobicContact CD2-CB 4.29Å; F530-K620 HydrophobicContact CG-CB 4.31Å; F530-K620 HydrophobicContact CG-CG 4.37Å; K620-T622 PolarHBondContact O-N 3.17Å; K620-T622 VanDerWaalsContact O-N 3.1Å; K620-I623 HydrophobicContact CB-CD1 4.33Å; K620-I623 HydrophobicContact CG-CD1 3.77Å; K620-I623 WeakPolarHBondContact O-CB 3.47Å; K620-I623 WeakPolarHBondContact O-CD1 3.36Å; K620-I623 VanDerWaalsContact O-CG1 3.24Å; K620-I623 WeakPolarHBondContact O-CG1 3.47Å; K620-I623 PolarHBondContact O-N 2.94Å |
| 621 | S | 93.3 | Very high | 93.8 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 43% | 0.427 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -65.2 | -12.7 | -178.8 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | Y467 Q619 | Y467-S621 VanDerWaalsContact CD1-CA 3.44Å; Q619-S621 PolarHBondContact O-N 3.44Å |
| 622 | T | 94.3 | Very high | 93.7 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 17% | 0.172 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -99.1 | 2.7 | 179.8 | 69.9 | 0 | 0 | 0 | 0 | 114 | I614 K615 N616 Q619 K620 | I614-T622 VanDerWaalsContact CG1-OG1 3.23Å; I614-T622 WeakPolarHBondContact CG1-OG1 3.37Å; K615-T622 HydrophobicContact CB-CG2 4.19Å; K615-T622 PolarHBondContact N-OG1 3.44Å; N616-T622 PolarHBondContact N-OG1 3.43Å; Q619-T622 HydrophobicContact CB-CG2 4.12Å; Q619-T622 PolarHBondContact O-N 2.88Å; Q619-T622 PolarHBondContact O-OG1 2.98Å; K620-T622 PolarHBondContact O-N 3.17Å; K620-T622 VanDerWaalsContact O-N 3.1Å |
| 623 | I | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -68.3 | 139.3 | -179.7 | -65.8 | 171.5 | 0 | 0 | 0 | 111.6 | Y467 F526 I529 F530 I533 I612 I614 K620 | Y467-I623 PolarHBondContact N-O 2.88Å; Y467-I623 VanDerWaalsContact N-O 3.12Å; F526-I623 HydrophobicContact CD1-CB 4.15Å; F526-I623 HydrophobicContact CD1-CG2 3.9Å; F526-I623 HydrophobicContact CE1-CB 4.45Å; F526-I623 HydrophobicContact CE1-CG2 4.07Å; I529-I623 HydrophobicContact CB-CG2 4.46Å; I529-I623 HydrophobicContact CG2-CD1 4.44Å; I529-I623 HydrophobicContact CG2-CG2 3.59Å; F530-I623 HydrophobicContact CB-CD1 3.77Å; F530-I623 HydrophobicContact CD2-CD1 3.84Å; F530-I623 HydrophobicContact CG-CD1 4.26Å; I533-I623 HydrophobicContact CD1-CD1 3.94Å; I533-I623 HydrophobicContact CD1-CG1 3.85Å; I533-I623 HydrophobicContact CD1-CG2 4.43Å; I612-I623 HydrophobicContact CG2-CG2 4.16Å; I614-I623 HydrophobicContact CB-CG1 4.48Å; I614-I623 HydrophobicContact CD1-CD1 4.48Å; I614-I623 HydrophobicContact CD1-CG1 3.73Å; I614-I623 HydrophobicContact CG1-CG1 4.02Å; K620-I623 HydrophobicContact CB-CD1 4.33Å; K620-I623 HydrophobicContact CG-CD1 3.77Å; K620-I623 WeakPolarHBondContact O-CB 3.47Å; K620-I623 WeakPolarHBondContact O-CD1 3.36Å; K620-I623 VanDerWaalsContact O-CG1 3.24Å; K620-I623 WeakPolarHBondContact O-CG1 3.47Å; K620-I623 PolarHBondContact O-N 2.94Å | ||
| 624 | R | 97.5 | Very high | 93.5 | Very high | 85 Ų | 85 | 46.5 Ų | 46.5 | 32% | 0.321 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 133.1 | 171.2 | -58.6 | 177.7 | 177.1 | -155.5 | -5.3 | 109.5 | E464 L465 I612 S613 Y626 | E464-R624 HydrophobicContact CG-CB 4.4Å; E464-R624 WeakPolarHBondContact OE1-CD 3.47Å; E464-R624 IonicContact OE1-CZ 3.79Å; E464-R624 IonicContact OE1-NE 2.65Å; E464-R624 PolarHBondContact OE1-NE 3.03Å; E464-R624 IonicContact OE1-NH1 3.72Å; E464-R624 PolarHBondContact OE1-NH1 3.11Å; E464-R624 IonicContact OE2-NH1 2.83Å; L465-R624 WeakPolarHBondContact O-CA 3.42Å; I612-R624 CarbonylContact C-O 3.59Å; I612-R624 WeakPolarHBondContact CA-O 3.44Å; S613-R624 PolarHBondContact N-O 2.91Å; S613-R624 PolarHBondContact O-N 2.76Å; R624-Y626 HydrophobicContact CB-CD2 4.27Å; R624-Y626 HydrophobicContact CB-CE2 3.62Å; R624-Y626 VanDerWaalsContact CD-OH 3.24Å; R624-Y626 WeakPolarHBondContact CD-OH 3.39Å; R624-Y626 PolarHBondContact NH1-OH 2.82Å |
| 625 | L | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.2 | 170.2 | 170.7 | 65 | 0 | 0 | 0 | 108.3 | E464 L465 F552 I557 I600 L604 I612 V627 | E464-L625 WeakPolarHBondContact CA-O 3.38Å; L465-L625 HydrophobicContact CB-CB 4.32Å; L465-L625 PolarHBondContact N-O 2.86Å; L465-L625 PolarHBondContact O-N 2.89Å; F552-L625 HydrophobicContact CE2-CD1 4.34Å; F552-L625 HydrophobicContact CZ-CD1 3.9Å; I557-L625 HydrophobicContact CG2-CD2 4.24Å; I600-L625 HydrophobicContact CG2-CD2 3.87Å; L604-L625 HydrophobicContact CD1-CD2 4.26Å; I612-L625 HydrophobicContact CG1-CD1 3.89Å; L625-V627 HydrophobicContact CG-CG2 4.34Å |
| 626 | Y | 97.4 | Very high | 93.6 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.2 | 177.8 | -70 | -82.1 | 0 | 0 | 0 | 110 | T462 N463 E464 S610 F611 R624 | T462-Y626 HydrophobicContact CG2-CD1 3.88Å; N463-Y626 WeakPolarHBondContact O-CA 3.42Å; E464-Y626 HydrophobicContact CB-CD1 3.95Å; E464-Y626 HydrophobicContact CB-CE1 3.68Å; E464-Y626 HydrophobicContact CG-CD1 4.08Å; E464-Y626 HydrophobicContact CG-CE1 3.55Å; E464-Y626 WeakPolarHBondContact OE2-CE1 3.41Å; E464-Y626 VanDerWaalsContact OE2-CZ 3.28Å; E464-Y626 PolarHBondContact OE2-OH 3.23Å; S610-Y626 CarbonylContact C-O 3.53Å; S610-Y626 WeakPolarHBondContact CA-O 3.5Å; S610-Y626 WeakPolarHBondContact CB-O 3.48Å; F611-Y626 HydrophobicContact CD1-CG 4.43Å; F611-Y626 HydrophobicContact CD2-CD2 4.28Å; F611-Y626 AromaticContact CE1-CD2 3.91Å; F611-Y626 HydrophobicContact CE1-CD2 3.91Å; F611-Y626 AromaticContact CE1-CG 3.67Å; F611-Y626 HydrophobicContact CE1-CG 3.67Å; F611-Y626 AromaticContact CE2-CD2 3.55Å; F611-Y626 HydrophobicContact CE2-CD2 3.55Å; F611-Y626 HydrophobicContact CE2-CE2 4.19Å; F611-Y626 HydrophobicContact CE2-CG 4.2Å; F611-Y626 HydrophobicContact CZ-CD1 4.37Å; F611-Y626 AromaticContact CZ-CD2 3.32Å; F611-Y626 HydrophobicContact CZ-CD2 3.32Å; F611-Y626 HydrophobicContact CZ-CE2 4.04Å; F611-Y626 AromaticContact CZ-CG 3.52Å; F611-Y626 HydrophobicContact CZ-CG 3.52Å; F611-Y626 PolarHBondContact N-O 3.29Å; F611-Y626 PolarHBondContact O-N 3.06Å; R624-Y626 HydrophobicContact CB-CD2 4.27Å; R624-Y626 HydrophobicContact CB-CE2 3.62Å; R624-Y626 VanDerWaalsContact CD-OH 3.24Å; R624-Y626 WeakPolarHBondContact CD-OH 3.39Å; R624-Y626 PolarHBondContact NH1-OH 2.82Å |
| 627 | V | 97 | Very high | 94 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.1 | 174.2 | -169 | 0 | 0 | 0 | 0 | 108.8 | T462 N463 I600 S603 L604 H608 L625 | T462-V627 CarbonylContact C-O 3.47Å; T462-V627 WeakPolarHBondContact CA-O 3.21Å; N463-V627 PolarHBondContact N-O 3.42Å; N463-V627 PolarHBondContact O-N 3.29Å; I600-V627 HydrophobicContact CD1-CB 4.39Å; I600-V627 HydrophobicContact CD1-CG2 3.97Å; I600-V627 HydrophobicContact CG2-CG2 4.29Å; S603-V627 VanDerWaalsContact CB-CG1 3.45Å; L604-V627 HydrophobicContact CD2-CG1 4.49Å; L604-V627 HydrophobicContact CD2-CG2 3.83Å; L604-V627 HydrophobicContact CG-CG2 4.18Å; H608-V627 HydrophobicContact CB-CG1 3.93Å; L625-V627 HydrophobicContact CG-CG2 4.34Å |
| 628 | K | 95.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 105 | 174.1 | 171.8 | -175.5 | 169.1 | -163 | 0 | 109.6 | V461 H608 T609 Y630 L814 S817 E818 | V461-K628 HydrophobicContact CG2-CG 3.98Å; V461-K628 CarbonylContact O-C 3.35Å; V461-K628 WeakPolarHBondContact O-CA 3.32Å; H608-K628 VanDerWaalsContact CB-O 3.32Å; H608-K628 WeakPolarHBondContact CB-O 3.13Å; T609-K628 PolarHBondContact O-N 3.07Å; K628-Y630 VanDerWaalsContact CE-O 3.29Å; K628-Y630 WeakPolarHBondContact CE-O 3.28Å; K628-Y630 WeakPolarHBondContact CG-O 3.3Å; K628-L814 HydrophobicContact CB-CD2 4.01Å; K628-L814 HydrophobicContact CD-CB 4.41Å; K628-L814 WeakPolarHBondContact CD-O 3.42Å; K628-L814 WeakPolarHBondContact CE-O 3.44Å; K628-L814 PolarHBondContact NZ-O 3.47Å; K628-S817 PolarHBondContact NZ-OG 3.39Å; K628-E818 WeakPolarHBondContact CE-OE1 3.38Å; K628-E818 IonicContact NZ-OE1 2.89Å; K628-E818 PolarHBondContact NZ-OE1 3.31Å |
| 629 | D | 91.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | trans | -77.9 | -27.4 | -170.3 | -48.2 | -78.6 | 0 | 0 | 0 | 114 | V461 N463 S603 H608 | V461-D629 PolarHBondContact O-N 2.85Å; N463-D629 VanDerWaalsContact CB-OD2 3.28Å; N463-D629 WeakPolarHBondContact CB-OD2 3.41Å; N463-D629 PolarHBondContact N-OD2 3.06Å; N463-D629 PolarHBondContact ND2-OD1 3.01Å; N463-D629 VanDerWaalsContact ND2-OD1 3.11Å; N463-D629 PolarHBondContact ND2-OD2 3.33Å; S603-D629 VanDerWaalsContact CB-OD1 3.26Å; S603-D629 WeakPolarHBondContact CB-OD1 3.27Å; S603-D629 PolarHBondContact OG-OD1 3.15Å; H608-D629 PolarHBondContact CE1-O 3.41Å; H608-D629 PolarHBondContact ND1-O 3.3Å | ||
| 630 | Y | 90.2 | Very high | 94.3 | Very high | 159 Ų | 159 | 37.5 Ų | 37.5 | 62% | 0.624 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -139.9 | 160.5 | -174.8 | -54 | -70.3 | 0 | 0 | 0 | 111.1 | V461 K628 | V461-Y630 WeakPolarHBondContact CB-O 3.42Å; K628-Y630 VanDerWaalsContact CE-O 3.29Å; K628-Y630 WeakPolarHBondContact CE-O 3.28Å; K628-Y630 WeakPolarHBondContact CG-O 3.3Å |
| 631 | A | 93.4 | Very high | 94.3 | Very high | 29 Ų | 29 | 35.1 Ų | 35.1 | 24% | 0.24 | 17% | 0.169 | C | C | . | . | trans | -67 | 135.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | K633 D634 V635 E818 | A631-K633 PolarHBondContact O-N 3.09Å; A631-D634 HydrophobicContact CB-CB 4.22Å; A631-D634 WeakPolarHBondContact O-CB 3.04Å; A631-D634 PolarHBondContact O-N 3.36Å; A631-D634 VanDerWaalsContact O-N 3.16Å; A631-V635 PolarHBondContact O-N 3.08Å; A631-E818 WeakPolarHBondContact CA-OE1 3.37Å | ||
| 632 | V | 94.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 110 | A457 L458 V461 D634 V635 L636 M815 E818 | A457-V632 HydrophobicContact CB-CG1 3.76Å; L458-V632 HydrophobicContact CB-CG2 4.17Å; L458-V632 HydrophobicContact CD1-CG2 3.9Å; V461-V632 HydrophobicContact CG2-CG2 3.7Å; V632-D634 VanDerWaalsContact C-N 3.28Å; V632-D634 PolarHBondContact O-N 2.91Å; V632-V635 PolarHBondContact O-N 3.27Å; V632-L636 HydrophobicContact CG1-CD1 3.98Å; V632-L636 HydrophobicContact CG1-CG 4.37Å; V632-L636 WeakPolarHBondContact O-CG 3.48Å; V632-L636 PolarHBondContact O-N 2.77Å; V632-M815 HydrophobicContact CB-CE 4.41Å; V632-M815 HydrophobicContact CB-SD 4.29Å; V632-M815 HydrophobicContact CG1-CE 4.34Å; V632-M815 HydrophobicContact CG1-SD 4.47Å; V632-M815 HydrophobicContact CG2-CE 4.46Å; V632-M815 HydrophobicContact CG2-SD 3.72Å; V632-E818 HydrophobicContact CB-CG 4.34Å; V632-E818 PolarHBondContact N-OE1 3.25Å |
| 633 | K | 94.4 | Very high | 94.1 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61 | -35.2 | 178 | -65.4 | 177.6 | 177.2 | -177.7 | 0 | 112.9 | A631 T637 Q665 L666 N668 E818 | A631-K633 PolarHBondContact O-N 3.09Å; K633-T637 VanDerWaalsContact O-CB 3.29Å; K633-T637 WeakPolarHBondContact O-CB 3.46Å; K633-T637 PolarHBondContact O-N 3.45Å; K633-T637 PolarHBondContact O-OG1 2.97Å; K633-Q665 WeakPolarHBondContact CE-O 3.48Å; K633-Q665 PolarHBondContact NZ-O 3.47Å; K633-L666 WeakPolarHBondContact CA-O 3.48Å; K633-L666 WeakPolarHBondContact CB-O 3.49Å; K633-L666 WeakPolarHBondContact CG-O 2.95Å; K633-N668 VanDerWaalsContact CB-OD1 3.25Å; K633-N668 WeakPolarHBondContact CB-OD1 3.42Å; K633-N668 WeakPolarHBondContact CD-OD1 3.5Å; K633-E818 VanDerWaalsContact CE-O 3.28Å; K633-E818 WeakPolarHBondContact CE-O 3.42Å; K633-E818 VanDerWaalsContact CG-OE2 3.28Å; K633-E818 WeakPolarHBondContact CG-OE2 3.36Å; K633-E818 PolarHBondContact N-OE2 3.46Å; K633-E818 PolarHBondContact NZ-O 2.99Å |
| 634 | D | 93.1 | Very high | 93.9 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 33% | 0.326 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.4 | -43.9 | 177.6 | -77.9 | -24.3 | 0 | 0 | 0 | 111.8 | A631 V632 T637 K638 N668 | A631-D634 HydrophobicContact CB-CB 4.22Å; A631-D634 WeakPolarHBondContact O-CB 3.04Å; A631-D634 PolarHBondContact O-N 3.36Å; A631-D634 VanDerWaalsContact O-N 3.16Å; V632-D634 VanDerWaalsContact C-N 3.28Å; V632-D634 PolarHBondContact O-N 2.91Å; D634-T637 PolarHBondContact O-N 2.9Å; D634-K638 WeakPolarHBondContact O-CB 3.47Å; D634-K638 WeakPolarHBondContact O-CG 3.22Å; D634-K638 PolarHBondContact O-N 2.93Å; D634-N668 PolarHBondContact OD1-ND2 2.96Å |
| 635 | V | 92.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.8 | -44.6 | 178.5 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | I430 Q460 V461 A631 V632 T637 K638 Q639 | I430-V635 HydrophobicContact CG2-CG1 3.51Å; Q460-V635 HydrophobicContact CG-CG1 4.5Å; V461-V635 HydrophobicContact CG1-CB 3.95Å; V461-V635 HydrophobicContact CG1-CG2 3.28Å; A631-V635 PolarHBondContact O-N 3.08Å; V632-V635 PolarHBondContact O-N 3.27Å; V635-T637 VanDerWaalsContact C-N 3.26Å; V635-T637 PolarHBondContact O-N 2.74Å; V635-K638 PolarHBondContact O-N 2.98Å; V635-Q639 HydrophobicContact CG1-CB 4.47Å; V635-Q639 HydrophobicContact CG1-CG 4.12Å; V635-Q639 VanDerWaalsContact O-CB 3.31Å; V635-Q639 WeakPolarHBondContact O-CB 3.3Å; V635-Q639 PolarHBondContact O-N 3.31Å |
| 636 | L | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.7 | -40.7 | 174.4 | -72.1 | 176.8 | 0 | 0 | 0 | 111.7 | L453 P454 A457 V632 V640 L641 L666 F667 | L453-L636 HydrophobicContact CB-CD2 4.42Å; L453-L636 HydrophobicContact CD2-CD2 3.62Å; L453-L636 HydrophobicContact CG-CD2 3.58Å; P454-L636 HydrophobicContact CG-CD1 4.48Å; A457-L636 HydrophobicContact CB-CD1 4.35Å; A457-L636 HydrophobicContact CB-CD2 3.57Å; A457-L636 HydrophobicContact CB-CG 3.69Å; V632-L636 HydrophobicContact CG1-CD1 3.98Å; V632-L636 HydrophobicContact CG1-CG 4.37Å; V632-L636 WeakPolarHBondContact O-CG 3.48Å; V632-L636 PolarHBondContact O-N 2.77Å; L636-V640 WeakPolarHBondContact O-CB 3.28Å; L636-V640 PolarHBondContact O-N 2.91Å; L636-L641 PolarHBondContact O-N 2.81Å; L636-L666 HydrophobicContact CD1-CB 3.95Å; L636-F667 HydrophobicContact CB-CD1 3.96Å; L636-F667 HydrophobicContact CB-CE1 3.87Å |
| 637 | T | 95.2 | Very high | 93.7 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -66.5 | -54.2 | 178.6 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | K633 D634 V635 L641 E642 F667 N668 K669 | K633-T637 VanDerWaalsContact O-CB 3.29Å; K633-T637 WeakPolarHBondContact O-CB 3.46Å; K633-T637 PolarHBondContact O-N 3.45Å; K633-T637 PolarHBondContact O-OG1 2.97Å; D634-T637 PolarHBondContact O-N 2.9Å; V635-T637 VanDerWaalsContact C-N 3.26Å; V635-T637 PolarHBondContact O-N 2.74Å; T637-L641 HydrophobicContact CG2-CD2 4.39Å; T637-L641 CarbonylContact O-C 3.57Å; T637-L641 WeakPolarHBondContact O-CA 3.38Å; T637-L641 VanDerWaalsContact O-CB 3.32Å; T637-L641 WeakPolarHBondContact O-CB 3.33Å; T637-L641 PolarHBondContact O-N 3.05Å; T637-L641 VanDerWaalsContact O-N 3.16Å; T637-E642 HydrophobicContact CG2-CG 4.27Å; T637-E642 WeakPolarHBondContact O-CG 3.24Å; T637-E642 PolarHBondContact O-N 3.09Å; T637-F667 WeakPolarHBondContact OG1-CA 3.49Å; T637-N668 PolarHBondContact OG1-N 3.46Å; T637-K669 HydrophobicContact CG2-CB 4.12Å |
| 638 | K | 92.1 | Very high | 93.8 | Very high | 130 Ų | 130 | 37.8 Ų | 37.8 | 57% | 0.565 | 18% | 0.175 | S | C | * | . | I | π-helix | trans | -72.5 | -47.4 | -173.7 | -69.2 | 176.5 | -178.8 | 172.3 | 0 | 113 | D634 V635 | D634-K638 WeakPolarHBondContact O-CB 3.47Å; D634-K638 WeakPolarHBondContact O-CG 3.22Å; D634-K638 PolarHBondContact O-N 2.93Å; V635-K638 PolarHBondContact O-N 2.98Å |
| 639 | Q | 90.6 | Very high | 93.9 | Very high | 75 Ų | 75 | 37.4 Ų | 37.4 | 35% | 0.35 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -87.1 | -16.2 | -170.4 | -58 | -63.5 | 2.3 | 0 | 0 | 113.8 | V635 K643 | V635-Q639 HydrophobicContact CG1-CB 4.47Å; V635-Q639 HydrophobicContact CG1-CG 4.12Å; V635-Q639 VanDerWaalsContact O-CB 3.31Å; V635-Q639 WeakPolarHBondContact O-CB 3.3Å; V635-Q639 PolarHBondContact O-N 3.31Å; Q639-K643 WeakPolarHBondContact O-CD 3.45Å |
| 640 | V | 93.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -121.4 | -60.5 | 179.8 | -169 | 0 | 0 | 0 | 0 | 110.6 | L429 I430 L453 L636 E642 F644 L647 F649 | L429-V640 HydrophobicContact CD2-CG1 4.26Å; L429-V640 HydrophobicContact CD2-CG2 4.48Å; I430-V640 HydrophobicContact CG1-CG2 4Å; L453-V640 HydrophobicContact CD2-CG1 4.1Å; L453-V640 HydrophobicContact CD2-CG2 4.27Å; L636-V640 WeakPolarHBondContact O-CB 3.28Å; L636-V640 PolarHBondContact O-N 2.91Å; V640-E642 PolarHBondContact O-N 3.42Å; V640-F644 WeakPolarHBondContact O-CD2 3.31Å; V640-L647 HydrophobicContact CG1-CD1 4.25Å; V640-L647 HydrophobicContact CG1-CD2 4.14Å; V640-F649 HydrophobicContact CG1-CE1 4.12Å; V640-F649 HydrophobicContact CG1-CZ 4.14Å |
| 641 | L | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -66.6 | -42.1 | -172.1 | -175.6 | 60.6 | 0 | 0 | 0 | 113.8 | K271 L636 T637 L647 F667 K669 V671 F673 | K271-L641 HydrophobicContact CD-CD1 3.73Å; K271-L641 WeakPolarHBondContact CE-O 3.41Å; K271-L641 PolarHBondContact NZ-O 3.24Å; L636-L641 PolarHBondContact O-N 2.81Å; T637-L641 HydrophobicContact CG2-CD2 4.39Å; T637-L641 CarbonylContact O-C 3.57Å; T637-L641 WeakPolarHBondContact O-CA 3.38Å; T637-L641 VanDerWaalsContact O-CB 3.32Å; T637-L641 WeakPolarHBondContact O-CB 3.33Å; T637-L641 PolarHBondContact O-N 3.05Å; T637-L641 VanDerWaalsContact O-N 3.16Å; L641-L647 HydrophobicContact CD1-CD2 4.04Å; L641-F667 HydrophobicContact CB-CD1 3.87Å; L641-F667 HydrophobicContact CB-CE1 4.11Å; L641-F667 HydrophobicContact CD2-CB 3.74Å; L641-F667 HydrophobicContact CD2-CD1 3.85Å; L641-F667 HydrophobicContact CD2-CG 3.82Å; L641-F667 HydrophobicContact CG-CD1 4.4Å; L641-K669 HydrophobicContact CD2-CB 4.42Å; L641-V671 HydrophobicContact CD1-CG1 4.39Å; L641-V671 HydrophobicContact CD2-CB 4.26Å; L641-V671 HydrophobicContact CD2-CG2 3.73Å; L641-V671 HydrophobicContact CG-CG2 4.32Å; L641-F673 HydrophobicContact CD1-CE1 3.93Å; L641-F673 HydrophobicContact CD1-CZ 3.55Å; L641-F673 HydrophobicContact CD2-CZ 4.48Å |
| 642 | E | 92.3 | Very high | 93.7 | Very high | 96 Ų | 96 | 28.6 Ų | 28.6 | 45% | 0.449 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -19.2 | -177 | -66.3 | -171.3 | 143.7 | 0 | 0 | 113.3 | T637 V640 K669 | T637-E642 HydrophobicContact CG2-CG 4.27Å; T637-E642 WeakPolarHBondContact O-CG 3.24Å; T637-E642 PolarHBondContact O-N 3.09Å; V640-E642 PolarHBondContact O-N 3.42Å; E642-K669 IonicContact OE1-NZ 3.44Å; E642-K669 PolarHBondContact OE1-NZ 3.18Å |
| 643 | K | 90.6 | Very high | 93.1 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 25% | 0.252 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -32.7 | -176.8 | -177 | 167.5 | -176.5 | 157.1 | 0 | 113.5 | S432 Q639 | S432-K643 PolarHBondContact OG-NZ 2.56Å; Q639-K643 WeakPolarHBondContact O-CD 3.45Å |
| 644 | F | 93.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.022 | 14% | 0.135 | C | C | . | . | trans | -113 | 143 | -173.6 | -57.2 | -72.3 | 0 | 0 | 0 | 111.9 | L429 F442 D443 C445 V640 S646 L647 | L429-F644 HydrophobicContact CD1-CE2 3.85Å; L429-F644 HydrophobicContact CD1-CZ 3.63Å; L429-F644 HydrophobicContact CG-CE2 4.48Å; F442-F644 WeakPolarHBondContact O-CD1 3.31Å; F442-F644 WeakPolarHBondContact O-CE1 3.31Å; D443-F644 CarbonylContact O-C 3.57Å; D443-F644 WeakPolarHBondContact O-CA 3.33Å; C445-F644 HydrophobicContact CB-CB 4.19Å; C445-F644 HydrophobicContact CB-CD1 3.52Å; C445-F644 HydrophobicContact CB-CD2 3.6Å; C445-F644 HydrophobicContact CB-CE1 3.69Å; C445-F644 HydrophobicContact CB-CE2 3.78Å; C445-F644 HydrophobicContact CB-CG 3.47Å; C445-F644 VanDerWaalsContact CB-CG 3.47Å; C445-F644 HydrophobicContact CB-CZ 3.82Å; V640-F644 WeakPolarHBondContact O-CD2 3.31Å; F644-S646 WeakPolarHBondContact CB-O 3.47Å; F644-L647 HydrophobicContact CB-CB 4.38Å; F644-L647 HydrophobicContact CD2-CD1 4.08Å | ||
| 645 | K | 94.1 | Very high | 92.5 | Very high | 109 Ų | 109 | 26.4 Ų | 26.4 | 47% | 0.474 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -71.7 | -64.4 | 172.6 | -66.4 | 177.7 | -173.2 | 157.1 | 0 | 109.1 | D443 | D443-K645 HydrophobicContact CB-CD 4.12Å; D443-K645 HydrophobicContact CB-CG 4.48Å; D443-K645 PolarHBondContact O-N 2.94Å; D443-K645 IonicContact OD1-NZ 3.81Å; D443-K645 IonicContact OD2-NZ 2.77Å; D443-K645 PolarHBondContact OD2-NZ 2.82Å |
| 646 | S | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -89.7 | 132.2 | 167.6 | -38.6 | 0 | 0 | 0 | 0 | 110.8 | L266 S269 E270 D444 C445 F644 | L266-S646 PolarHBondContact O-OG 3.29Å; S269-S646 VanDerWaalsContact CA-OG 3.3Å; S269-S646 WeakPolarHBondContact CA-OG 3.45Å; E270-S646 VanDerWaalsContact O-CA 3.28Å; E270-S646 WeakPolarHBondContact O-CA 3.4Å; D444-S646 WeakPolarHBondContact CA-O 3.19Å; D444-S646 WeakPolarHBondContact OD1-CB 3.38Å; D444-S646 PolarHBondContact OD1-N 2.86Å; D444-S646 VanDerWaalsContact OD1-N 3.11Å; D444-S646 PolarHBondContact OD1-OG 3.39Å; C445-S646 PolarHBondContact N-O 2.82Å; F644-S646 WeakPolarHBondContact CB-O 3.47Å |
| 647 | L | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 112.6 | 178 | -178.4 | 61.8 | 0 | 0 | 0 | 111 | E270 K271 A272 C445 V447 V640 L641 F644 F649 | E270-L647 PolarHBondContact O-N 2.65Å; E270-L647 VanDerWaalsContact O-N 3.09Å; K271-L647 CarbonylContact C-O 3.56Å; K271-L647 VanDerWaalsContact CA-O 3.3Å; K271-L647 WeakPolarHBondContact CA-O 3.42Å; K271-L647 HydrophobicContact CG-CB 4.13Å; A272-L647 PolarHBondContact N-O 3.22Å; C445-L647 HydrophobicContact CB-CD1 3.99Å; C445-L647 WeakPolarHBondContact O-CA 3.42Å; V447-L647 HydrophobicContact CG2-CD1 4.01Å; V640-L647 HydrophobicContact CG1-CD1 4.25Å; V640-L647 HydrophobicContact CG1-CD2 4.14Å; L641-L647 HydrophobicContact CD1-CD2 4.04Å; F644-L647 HydrophobicContact CB-CB 4.38Å; F644-L647 HydrophobicContact CD2-CD1 4.08Å; L647-F649 HydrophobicContact CD1-CE1 4.33Å; L647-F649 HydrophobicContact CD1-CZ 4.25Å; L647-F649 HydrophobicContact CD2-CE1 4.31Å; L647-F649 HydrophobicContact CD2-CE2 3.67Å; L647-F649 HydrophobicContact CD2-CZ 3.45Å; L647-F649 VanDerWaalsContact CD2-CZ 3.45Å; L647-F649 HydrophobicContact CG-CD2 4.46Å; L647-F649 HydrophobicContact CG-CE1 4.33Å; L647-F649 HydrophobicContact CG-CE2 3.88Å; L647-F649 HydrophobicContact CG-CZ 3.82Å |
| 648 | I | 98.4 | Very high | 91 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 115.4 | -178.2 | -58.1 | 91 | 0 | 0 | 0 | 109.4 | I262 Q265 L266 A272 I274 C445 I446 V447 | I262-I648 HydrophobicContact CG1-CG2 4.39Å; Q265-I648 HydrophobicContact CB-CD1 4.29Å; Q265-I648 HydrophobicContact CB-CG1 3.96Å; L266-I648 HydrophobicContact CD2-CD1 3.52Å; L266-I648 HydrophobicContact CG-CD1 3.86Å; A272-I648 HydrophobicContact CB-CG1 4.35Å; A272-I648 HydrophobicContact CB-CG2 4.46Å; I274-I648 HydrophobicContact CD1-CG2 3.67Å; I274-I648 HydrophobicContact CG1-CG2 4.14Å; C445-I648 PolarHBondContact O-N 2.9Å; I446-I648 CarbonylContact C-O 3.36Å; I446-I648 WeakPolarHBondContact CA-O 3.33Å; I446-I648 HydrophobicContact CG1-CB 4.49Å; I446-I648 HydrophobicContact CG1-CD1 4.33Å; V447-I648 PolarHBondContact N-O 3.17Å |
| 649 | F | 97.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.5 | 170.3 | -63.1 | -68.7 | 0 | 0 | 0 | 109.8 | A272 M273 I274 V447 A450 L453 V640 L647 L654 F663 F667 F673 | A272-F649 PolarHBondContact O-N 3.12Å; M273-F649 HydrophobicContact CE-CD2 4.43Å; M273-F649 HydrophobicContact CG-CB 4.39Å; M273-F649 HydrophobicContact CG-CD2 4.19Å; I274-F649 PolarHBondContact N-O 2.86Å; V447-F649 HydrophobicContact CB-CD1 3.82Å; V447-F649 HydrophobicContact CB-CE1 4.23Å; V447-F649 HydrophobicContact CG1-CD1 4.2Å; V447-F649 HydrophobicContact CG1-CE1 4.5Å; V447-F649 HydrophobicContact CG2-CD1 4.14Å; V447-F649 HydrophobicContact CG2-CE1 4.08Å; A450-F649 HydrophobicContact CB-CB 3.69Å; A450-F649 HydrophobicContact CB-CD1 3.64Å; A450-F649 HydrophobicContact CB-CG 4.1Å; L453-F649 HydrophobicContact CD2-CE1 3.81Å; L453-F649 HydrophobicContact CD2-CZ 4.49Å; V640-F649 HydrophobicContact CG1-CE1 4.12Å; V640-F649 HydrophobicContact CG1-CZ 4.14Å; L647-F649 HydrophobicContact CD1-CE1 4.33Å; L647-F649 HydrophobicContact CD1-CZ 4.25Å; L647-F649 HydrophobicContact CD2-CE1 4.31Å; L647-F649 HydrophobicContact CD2-CE2 3.67Å; L647-F649 HydrophobicContact CD2-CZ 3.45Å; L647-F649 VanDerWaalsContact CD2-CZ 3.45Å; L647-F649 HydrophobicContact CG-CD2 4.46Å; L647-F649 HydrophobicContact CG-CE1 4.33Å; L647-F649 HydrophobicContact CG-CE2 3.88Å; L647-F649 HydrophobicContact CG-CZ 3.82Å; F649-L654 HydrophobicContact CB-CD1 4.15Å; F649-F663 HydrophobicContact CB-CE1 4.13Å; F649-F663 HydrophobicContact CD1-CE1 4.11Å; F649-F663 HydrophobicContact CD1-CZ 4.18Å; F649-F663 AromaticContact CD2-CE1 3.96Å; F649-F663 HydrophobicContact CD2-CE1 3.96Å; F649-F663 HydrophobicContact CE2-CE1 4.35Å; F649-F663 AromaticContact CG-CE1 3.8Å; F649-F663 HydrophobicContact CG-CE1 3.8Å; F649-F663 HydrophobicContact CG-CZ 4.31Å; F649-F667 HydrophobicContact CE1-CZ 4.36Å; F649-F667 HydrophobicContact CE2-CE2 4.18Å; F649-F667 AromaticContact CE2-CZ 3.79Å; F649-F667 HydrophobicContact CE2-CZ 3.79Å; F649-F667 HydrophobicContact CZ-CE1 4.18Å; F649-F667 HydrophobicContact CZ-CE2 4.34Å; F649-F667 AromaticContact CZ-CZ 3.51Å; F649-F667 HydrophobicContact CZ-CZ 3.51Å; F649-F673 HydrophobicContact CD2-CE1 4.21Å; F649-F673 AromaticContact CE2-CE1 3.89Å; F649-F673 HydrophobicContact CE2-CE1 3.89Å; F649-F673 HydrophobicContact CE2-CZ 4.42Å |
| 650 | I | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 136.8 | 176.7 | -169.2 | 175.9 | 0 | 0 | 0 | 111.2 | L258 I262 I274 A276 K282 I446 V447 D448 E449 A450 | L258-I650 HydrophobicContact CD1-CD1 3.85Å; L258-I650 HydrophobicContact CD2-CD1 3.9Å; L258-I650 HydrophobicContact CG-CD1 4.36Å; I262-I650 HydrophobicContact CD1-CD1 4.48Å; I274-I650 HydrophobicContact CB-CB 4.46Å; I274-I650 HydrophobicContact CB-CG1 4.23Å; I274-I650 HydrophobicContact CG2-CG1 4.4Å; I274-I650 WeakPolarHBondContact O-CA 3.38Å; A276-I650 HydrophobicContact CB-CD1 3.96Å; A276-I650 HydrophobicContact CB-CG1 4.04Å; K282-I650 HydrophobicContact CB-CD1 4.01Å; K282-I650 HydrophobicContact CD-CD1 3.8Å; K282-I650 HydrophobicContact CD-CG1 3.92Å; K282-I650 HydrophobicContact CG-CD1 3.86Å; I446-I650 HydrophobicContact CG2-CG2 4.39Å; V447-I650 PolarHBondContact O-N 2.95Å; D448-I650 CarbonylContact C-O 3.59Å; D448-I650 HydrophobicContact CB-CG2 3.98Å; E449-I650 PolarHBondContact N-O 3.21Å; A450-I650 PolarHBondContact N-O 3Å; A450-I650 VanDerWaalsContact N-O 3.12Å |
| 651 | S | 91.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 159.6 | 175.3 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | I274 E275 A276 E449 H451 T653 | I274-S651 PolarHBondContact O-N 3.05Å; I274-S651 VanDerWaalsContact O-N 3.14Å; E275-S651 CarbonylContact C-O 3.52Å; E275-S651 WeakPolarHBondContact CA-O 3.37Å; A276-S651 PolarHBondContact N-O 2.96Å; E449-S651 PolarHBondContact OE2-OG 2.9Å; H451-S651 PolarHBondContact ND1-OG 3.31Å; S651-T653 PolarHBondContact O-N 2.77Å; S651-T653 PolarHBondContact OG-N 3.01Å; S651-T653 VanDerWaalsContact OG-N 3.16Å |
| 652 | G | 83.6 | Confident | 90.5 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -67.1 | -20.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A276 | A276-G652 VanDerWaalsContact O-CA 3.23Å; A276-G652 WeakPolarHBondContact O-CA 3.27Å |
| 653 | T | 81.9 | Confident | 90.4 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | trans | -146.4 | 74.7 | -170.7 | 57.6 | 0 | 0 | 0 | 0 | 111.9 | E275 H451 S651 T833 R836 Q837 | E275-T653 WeakPolarHBondContact OE2-CA 3.24Å; H451-T653 WeakPolarHBondContact CB-O 3.06Å; S651-T653 PolarHBondContact O-N 2.77Å; S651-T653 PolarHBondContact OG-N 3.01Å; S651-T653 VanDerWaalsContact OG-N 3.16Å; T653-T833 HydrophobicContact CG2-CG2 4.31Å; T653-T833 VanDerWaalsContact OG1-CG2 3.26Å; T653-T833 WeakPolarHBondContact OG1-CG2 3.38Å; T653-R836 HydrophobicContact CG2-CG 4.32Å; T653-Q837 HydrophobicContact CG2-CG 3.98Å; T653-Q837 PolarHBondContact OG1-NE2 3.32Å | ||
| 654 | L | 87.1 | Confident | 90.5 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | trans | -97.5 | -31.2 | 172.7 | -84.1 | -176.4 | 0 | 0 | 0 | 112.6 | M273 E275 A450 H451 F649 F660 F663 | M273-L654 HydrophobicContact CB-CD1 4.13Å; E275-L654 PolarHBondContact OE2-N 3.04Å; A450-L654 HydrophobicContact CB-CD2 4.15Å; H451-L654 HydrophobicContact CB-CD2 4.4Å; F649-L654 HydrophobicContact CB-CD1 4.15Å; L654-F660 HydrophobicContact CB-CD1 3.82Å; L654-F660 HydrophobicContact CB-CE1 3.64Å; L654-F660 HydrophobicContact CD1-CD1 4.34Å; L654-F660 HydrophobicContact CD1-CE1 4.05Å; L654-F660 HydrophobicContact CG-CE1 4.49Å; L654-F663 HydrophobicContact CD2-CD1 4Å; L654-F663 HydrophobicContact CD2-CD2 3.8Å; L654-F663 HydrophobicContact CD2-CE1 4.1Å; L654-F663 HydrophobicContact CD2-CE2 3.9Å; L654-F663 HydrophobicContact CD2-CG 3.86Å; L654-F663 HydrophobicContact CD2-CZ 4.05Å | ||
| 655 | K | 87.8 | Confident | 90.3 | Very high | 22 Ų | 22 | 34 Ų | 34 | 10% | 0.096 | 17% | 0.171 | C | C | . | . | trans | -78.8 | 143.6 | -178.2 | -65 | -170.5 | -63.2 | 171 | 0 | 111.6 | E275 S659 F660 E677 R836 | E275-K655 HydrophobicContact CB-CG 4.29Å; E275-K655 WeakPolarHBondContact OE1-CE 3.26Å; E275-K655 WeakPolarHBondContact OE2-CB 3.47Å; E275-K655 PolarHBondContact OE2-N 3.36Å; K655-S659 VanDerWaalsContact CA-O 3.29Å; K655-S659 WeakPolarHBondContact CA-O 3.3Å; K655-F660 HydrophobicContact CD-CD2 4.3Å; K655-F660 HydrophobicContact CD-CE2 3.78Å; K655-F660 HydrophobicContact CD-CZ 4.03Å; K655-F660 HydrophobicContact CG-CD1 4.13Å; K655-F660 HydrophobicContact CG-CD2 3.96Å; K655-F660 HydrophobicContact CG-CE1 3.88Å; K655-F660 HydrophobicContact CG-CE2 3.68Å; K655-F660 HydrophobicContact CG-CG 4.18Å; K655-F660 HydrophobicContact CG-CZ 3.64Å; K655-E677 HydrophobicContact CD-CG 4.44Å; K655-E677 VanDerWaalsContact CD-OE1 3.31Å; K655-E677 WeakPolarHBondContact CD-OE1 3.25Å; K655-E677 WeakPolarHBondContact CE-OE1 3.17Å; K655-E677 IonicContact NZ-OE1 3.69Å; K655-E677 PolarHBondContact NZ-OE1 2.99Å; K655-E677 IonicContact NZ-OE2 3.89Å; K655-E677 PolarHBondContact NZ-OE2 2.7Å; K655-R836 PolarHBondContact O-NH2 2.9Å; K655-R836 VanDerWaalsContact O-NH2 3.14Å | ||
| 656 | F | 85.1 | Confident | 90.2 | Very high | 31 Ų | 31 | 29.4 Ų | 29.4 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -128.4 | 130.5 | 163.5 | 177.3 | -105.3 | 0 | 0 | 0 | 107.7 | H658 S659 A662 L828 P829 V832 F867 | F656-H658 PolarHBondContact O-N 3.38Å; F656-S659 PolarHBondContact N-O 3.42Å; F656-S659 PolarHBondContact O-N 2.96Å; F656-A662 HydrophobicContact CB-CB 3.97Å; F656-A662 HydrophobicContact CD1-CB 4.33Å; F656-L828 HydrophobicContact CE2-CG 4.24Å; F656-L828 HydrophobicContact CZ-CD2 4Å; F656-L828 HydrophobicContact CZ-CG 3.96Å; F656-P829 HydrophobicContact CB-CB 4.42Å; F656-P829 HydrophobicContact CD1-CB 4.48Å; F656-P829 HydrophobicContact CD1-CG 3.94Å; F656-P829 HydrophobicContact CD2-CB 3.86Å; F656-P829 HydrophobicContact CD2-CG 4Å; F656-P829 HydrophobicContact CE1-CG 3.97Å; F656-P829 HydrophobicContact CE2-CB 4.22Å; F656-P829 HydrophobicContact CE2-CG 4.02Å; F656-P829 HydrophobicContact CG-CB 4Å; F656-P829 HydrophobicContact CG-CG 3.96Å; F656-P829 HydrophobicContact CZ-CG 4.01Å; F656-V832 HydrophobicContact CD2-CB 4.49Å; F656-V832 HydrophobicContact CE2-CB 4.26Å; F656-V832 HydrophobicContact CE2-CG2 4.1Å; F656-F867 HydrophobicContact CE1-CD1 4.1Å; F656-F867 AromaticContact CE1-CE1 3.94Å; F656-F867 HydrophobicContact CE1-CE1 3.94Å; F656-F867 HydrophobicContact CE1-CZ 4.4Å; F656-F867 HydrophobicContact CE2-CB 4.16Å; F656-F867 HydrophobicContact CE2-CD1 4.04Å; F656-F867 HydrophobicContact CE2-CG 4.1Å; F656-F867 HydrophobicContact CZ-CB 4.33Å; F656-F867 AromaticContact CZ-CD1 3.57Å; F656-F867 HydrophobicContact CZ-CD1 3.57Å; F656-F867 HydrophobicContact CZ-CD2 4.19Å; F656-F867 AromaticContact CZ-CE1 3.81Å; F656-F867 HydrophobicContact CZ-CE1 3.81Å; F656-F867 HydrophobicContact CZ-CE2 4.4Å; F656-F867 AromaticContact CZ-CG 3.78Å; F656-F867 HydrophobicContact CZ-CG 3.78Å; F656-F867 HydrophobicContact CZ-CZ 4.22Å |
| 657 | N | 84.5 | Confident | 90 | Very high | 88 Ų | 88 | 30 Ų | 30 | 47% | 0.471 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 47.6 | -176.5 | -167.5 | 37.2 | 0 | 0 | 0 | 114 | S659 F867 | N657-S659 PolarHBondContact O-N 2.78Å; N657-F867 HydrophobicContact CB-CD1 3.94Å; N657-F867 HydrophobicContact CB-CE1 3.76Å |
| 658 | H | 83 | Confident | 89.6 | Confident | 115 Ų | 115 | 34.3 Ų | 34.3 | 53% | 0.532 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 14.2 | -175.9 | -55.7 | -80.5 | 0 | 0 | 0 | 115.4 | F656 Q870 | F656-H658 PolarHBondContact O-N 3.38Å; H658-Q870 PolarHBondContact CD2-NE2 3Å; H658-Q870 PolarHBondContact CE1-NE2 3.17Å; H658-Q870 PolarHBondContact ND1-NE2 3.39Å; H658-Q870 PolarHBondContact NE2-NE2 3.08Å |
| 659 | S | 89.8 | Confident | 88.9 | Confident | 44 Ų | 44 | 39 Ų | 39 | 31% | 0.308 | 20% | 0.197 | S | C | . | . | B | Isolated β-bridge | trans | -130.3 | 146.7 | -175.3 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | K655 F656 N657 E661 | K655-S659 VanDerWaalsContact CA-O 3.29Å; K655-S659 WeakPolarHBondContact CA-O 3.3Å; F656-S659 PolarHBondContact N-O 3.42Å; F656-S659 PolarHBondContact O-N 2.96Å; N657-S659 PolarHBondContact O-N 2.78Å; S659-E661 VanDerWaalsContact C-N 3.29Å; S659-E661 WeakPolarHBondContact OG-CB 3.47Å; S659-E661 WeakPolarHBondContact OG-CG 3.46Å; S659-E661 PolarHBondContact OG-N 3.43Å; S659-E661 VanDerWaalsContact OG-N 3.1Å |
| 660 | F | 91.5 | Very high | 88.3 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 7% | 0.066 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -84 | -4 | 171.3 | -68.9 | -89.1 | 0 | 0 | 0 | 112.7 | M273 E275 L654 K655 A662 F663 K664 T675 | M273-F660 HydrophobicContact CB-CD1 3.61Å; M273-F660 HydrophobicContact CB-CE1 3.88Å; M273-F660 HydrophobicContact CB-CG 4.24Å; M273-F660 HydrophobicContact SD-CB 3.94Å; M273-F660 HydrophobicContact SD-CD1 4.22Å; M273-F660 HydrophobicContact SD-CG 4.43Å; E275-F660 HydrophobicContact CB-CE1 4.07Å; E275-F660 HydrophobicContact CB-CZ 3.89Å; L654-F660 HydrophobicContact CB-CD1 3.82Å; L654-F660 HydrophobicContact CB-CE1 3.64Å; L654-F660 HydrophobicContact CD1-CD1 4.34Å; L654-F660 HydrophobicContact CD1-CE1 4.05Å; L654-F660 HydrophobicContact CG-CE1 4.49Å; K655-F660 HydrophobicContact CD-CD2 4.3Å; K655-F660 HydrophobicContact CD-CE2 3.78Å; K655-F660 HydrophobicContact CD-CZ 4.03Å; K655-F660 HydrophobicContact CG-CD1 4.13Å; K655-F660 HydrophobicContact CG-CD2 3.96Å; K655-F660 HydrophobicContact CG-CE1 3.88Å; K655-F660 HydrophobicContact CG-CE2 3.68Å; K655-F660 HydrophobicContact CG-CG 4.18Å; K655-F660 HydrophobicContact CG-CZ 3.64Å; F660-A662 VanDerWaalsContact C-N 3.3Å; F660-A662 PolarHBondContact O-N 3.16Å; F660-F663 PolarHBondContact O-N 3.49Å; F660-K664 PolarHBondContact O-N 2.81Å; F660-T675 HydrophobicContact CB-CG2 4.2Å; F660-T675 HydrophobicContact CD2-CG2 3.57Å; F660-T675 HydrophobicContact CE2-CG2 4.11Å; F660-T675 HydrophobicContact CG-CG2 3.95Å |
| 661 | E | 89.9 | Confident | 87.9 | Confident | 94 Ų | 94 | 46.8 Ų | 46.8 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.1 | -39.2 | -173.8 | -75.1 | -58.5 | 130.6 | 0 | 0 | 113.3 | S659 F663 K664 Q665 | S659-E661 VanDerWaalsContact C-N 3.29Å; S659-E661 WeakPolarHBondContact OG-CB 3.47Å; S659-E661 WeakPolarHBondContact OG-CG 3.46Å; S659-E661 PolarHBondContact OG-N 3.43Å; S659-E661 VanDerWaalsContact OG-N 3.1Å; E661-F663 PolarHBondContact O-N 2.91Å; E661-K664 PolarHBondContact O-N 3.49Å; E661-K664 VanDerWaalsContact O-N 3.16Å; E661-Q665 WeakPolarHBondContact O-CB 3.4Å; E661-Q665 VanDerWaalsContact O-CG 3.25Å; E661-Q665 WeakPolarHBondContact O-CG 3.36Å; E661-Q665 PolarHBondContact O-N 2.97Å |
| 662 | A | 87.8 | Confident | 88 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.4 | -37.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F656 F660 | F656-A662 HydrophobicContact CB-CB 3.97Å; F656-A662 HydrophobicContact CD1-CB 4.33Å; F660-A662 VanDerWaalsContact C-N 3.3Å; F660-A662 PolarHBondContact O-N 3.16Å |
| 663 | F | 91 | Very high | 88.5 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -78.3 | -37.6 | 176 | -169.3 | -101 | 0 | 0 | 0 | 111.7 | M273 A450 F649 L654 F660 E661 Q665 L666 F667 | M273-F663 HydrophobicContact CE-CD1 3.62Å; M273-F663 HydrophobicContact CE-CE1 4.14Å; M273-F663 HydrophobicContact CG-CD1 4.47Å; M273-F663 HydrophobicContact SD-CD1 3.79Å; A450-F663 HydrophobicContact CB-CZ 4Å; A450-F663 VanDerWaalsContact O-CE2 3.27Å; A450-F663 WeakPolarHBondContact O-CE2 3.43Å; A450-F663 WeakPolarHBondContact O-CZ 3.32Å; F649-F663 HydrophobicContact CB-CE1 4.13Å; F649-F663 HydrophobicContact CD1-CE1 4.11Å; F649-F663 HydrophobicContact CD1-CZ 4.18Å; F649-F663 AromaticContact CD2-CE1 3.96Å; F649-F663 HydrophobicContact CD2-CE1 3.96Å; F649-F663 HydrophobicContact CE2-CE1 4.35Å; F649-F663 AromaticContact CG-CE1 3.8Å; F649-F663 HydrophobicContact CG-CE1 3.8Å; F649-F663 HydrophobicContact CG-CZ 4.31Å; L654-F663 HydrophobicContact CD2-CD1 4Å; L654-F663 HydrophobicContact CD2-CD2 3.8Å; L654-F663 HydrophobicContact CD2-CE1 4.1Å; L654-F663 HydrophobicContact CD2-CE2 3.9Å; L654-F663 HydrophobicContact CD2-CG 3.86Å; L654-F663 HydrophobicContact CD2-CZ 4.05Å; F660-F663 PolarHBondContact O-N 3.49Å; E661-F663 PolarHBondContact O-N 2.91Å; F663-Q665 VanDerWaalsContact C-N 3.3Å; F663-Q665 PolarHBondContact O-N 3.02Å; F663-L666 HydrophobicContact CD2-CD1 3.6Å; F663-L666 HydrophobicContact CE2-CD1 3.91Å; F663-L666 HydrophobicContact CG-CD1 4.23Å; F663-L666 VanDerWaalsContact O-CB 3.3Å; F663-L666 WeakPolarHBondContact O-CB 3.44Å; F663-L666 PolarHBondContact O-N 3.14Å; F663-F667 HydrophobicContact CD1-CE2 4.45Å; F663-F667 HydrophobicContact CE1-CE2 4.15Å; F663-F667 HydrophobicContact CE1-CZ 4.39Å |
| 664 | K | 91.7 | Very high | 89.3 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 19% | 0.191 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 175.1 | -171.9 | -175.8 | 171.9 | -167.9 | 0 | 112.5 | M273 F660 E661 L666 F667 D670 V671 F673 | M273-K664 HydrophobicContact CE-CB 4.18Å; F660-K664 PolarHBondContact O-N 2.81Å; E661-K664 PolarHBondContact O-N 3.49Å; E661-K664 VanDerWaalsContact O-N 3.16Å; K664-L666 PolarHBondContact O-N 2.9Å; K664-L666 VanDerWaalsContact O-N 3.08Å; K664-F667 WeakPolarHBondContact O-CD2 3.33Å; K664-F667 PolarHBondContact O-N 2.92Å; K664-F667 VanDerWaalsContact O-N 3.17Å; K664-D670 WeakPolarHBondContact CE-OD1 3.33Å; K664-D670 IonicContact NZ-OD1 2.79Å; K664-D670 PolarHBondContact NZ-OD1 3.23Å; K664-V671 WeakPolarHBondContact CE-O 3.39Å; K664-F673 HydrophobicContact CD-CD2 4.35Å; K664-F673 HydrophobicContact CG-CD2 4.08Å; K664-F673 HydrophobicContact CG-CE2 4.1Å |
| 665 | Q | 89.7 | Confident | 89.7 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -8.9 | 178.3 | -76.1 | 174.4 | -0.1 | 0 | 0 | 114.5 | K633 E661 F663 F667 | K633-Q665 WeakPolarHBondContact CE-O 3.48Å; K633-Q665 PolarHBondContact NZ-O 3.47Å; E661-Q665 WeakPolarHBondContact O-CB 3.4Å; E661-Q665 VanDerWaalsContact O-CG 3.25Å; E661-Q665 WeakPolarHBondContact O-CG 3.36Å; E661-Q665 PolarHBondContact O-N 2.97Å; F663-Q665 VanDerWaalsContact C-N 3.3Å; F663-Q665 PolarHBondContact O-N 3.02Å; Q665-F667 PolarHBondContact O-N 3.31Å |
| 666 | L | 91 | Very high | 90.1 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -3.1 | 173.7 | -64.1 | 164.9 | 0 | 0 | 0 | 113.4 | P454 K633 L636 F663 K664 F819 | P454-L666 HydrophobicContact CB-CD2 4.47Å; P454-L666 HydrophobicContact CG-CD1 3.47Å; P454-L666 VanDerWaalsContact CG-CD1 3.47Å; P454-L666 HydrophobicContact CG-CD2 4.15Å; P454-L666 HydrophobicContact CG-CG 4.4Å; K633-L666 WeakPolarHBondContact CA-O 3.48Å; K633-L666 WeakPolarHBondContact CB-O 3.49Å; K633-L666 WeakPolarHBondContact CG-O 2.95Å; L636-L666 HydrophobicContact CD1-CB 3.95Å; F663-L666 HydrophobicContact CD2-CD1 3.6Å; F663-L666 HydrophobicContact CE2-CD1 3.91Å; F663-L666 HydrophobicContact CG-CD1 4.23Å; F663-L666 VanDerWaalsContact O-CB 3.3Å; F663-L666 WeakPolarHBondContact O-CB 3.44Å; F663-L666 PolarHBondContact O-N 3.14Å; K664-L666 PolarHBondContact O-N 2.9Å; K664-L666 VanDerWaalsContact O-N 3.08Å; L666-F819 HydrophobicContact CD2-CZ 4Å |
| 667 | F | 93.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -114.7 | 137.2 | 176.7 | -54.2 | -78.7 | 0 | 0 | 0 | 110.4 | M273 L636 T637 L641 F649 F663 K664 Q665 K669 F673 | M273-F667 HydrophobicContact CE-CE2 4.21Å; L636-F667 HydrophobicContact CB-CD1 3.96Å; L636-F667 HydrophobicContact CB-CE1 3.87Å; T637-F667 WeakPolarHBondContact OG1-CA 3.49Å; L641-F667 HydrophobicContact CB-CD1 3.87Å; L641-F667 HydrophobicContact CB-CE1 4.11Å; L641-F667 HydrophobicContact CD2-CB 3.74Å; L641-F667 HydrophobicContact CD2-CD1 3.85Å; L641-F667 HydrophobicContact CD2-CG 3.82Å; L641-F667 HydrophobicContact CG-CD1 4.4Å; F649-F667 HydrophobicContact CE1-CZ 4.36Å; F649-F667 HydrophobicContact CE2-CE2 4.18Å; F649-F667 AromaticContact CE2-CZ 3.79Å; F649-F667 HydrophobicContact CE2-CZ 3.79Å; F649-F667 HydrophobicContact CZ-CE1 4.18Å; F649-F667 HydrophobicContact CZ-CE2 4.34Å; F649-F667 AromaticContact CZ-CZ 3.51Å; F649-F667 HydrophobicContact CZ-CZ 3.51Å; F663-F667 HydrophobicContact CD1-CE2 4.45Å; F663-F667 HydrophobicContact CE1-CE2 4.15Å; F663-F667 HydrophobicContact CE1-CZ 4.39Å; K664-F667 WeakPolarHBondContact O-CD2 3.33Å; K664-F667 PolarHBondContact O-N 2.92Å; K664-F667 VanDerWaalsContact O-N 3.17Å; Q665-F667 PolarHBondContact O-N 3.31Å; F667-K669 PolarHBondContact O-N 3.43Å; F667-K669 VanDerWaalsContact O-N 3.12Å; F667-F673 HydrophobicContact CD2-CZ 4.3Å; F667-F673 HydrophobicContact CE2-CZ 4.36Å |
| 668 | N | 88.7 | Confident | 90.5 | Very high | 90 Ų | 90 | 57.6 Ų | 57.6 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -81.2 | 20.2 | -179.7 | -80.8 | -13.7 | 0 | 0 | 0 | 113.2 | K633 D634 T637 | K633-N668 VanDerWaalsContact CB-OD1 3.25Å; K633-N668 WeakPolarHBondContact CB-OD1 3.42Å; K633-N668 WeakPolarHBondContact CD-OD1 3.5Å; D634-N668 PolarHBondContact OD1-ND2 2.96Å; T637-N668 PolarHBondContact OG1-N 3.46Å |
| 669 | K | 85.5 | Confident | 90.2 | Very high | 100 Ų | 100 | 55.9 Ų | 55.9 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -138.3 | 130.3 | -176.7 | -166.1 | 176.4 | -169.1 | 166.1 | 0 | 109.1 | T637 L641 E642 F667 V671 | T637-K669 HydrophobicContact CG2-CB 4.12Å; L641-K669 HydrophobicContact CD2-CB 4.42Å; E642-K669 IonicContact OE1-NZ 3.44Å; E642-K669 PolarHBondContact OE1-NZ 3.18Å; F667-K669 PolarHBondContact O-N 3.43Å; F667-K669 VanDerWaalsContact O-N 3.12Å; K669-V671 VanDerWaalsContact C-N 3.29Å; K669-V671 HydrophobicContact CB-CG2 4.02Å; K669-V671 HydrophobicContact CD-CG2 3.73Å; K669-V671 HydrophobicContact CG-CG2 3.69Å; K669-V671 PolarHBondContact O-N 3.09Å |
| 670 | D | 85.1 | Confident | 89 | Confident | 141 Ų | 141 | 55.6 Ų | 55.6 | 75% | 0.754 | 28% | 0.282 | S | S | * | . | trans | -75.9 | 89 | 172.3 | -167.3 | 20.5 | 0 | 0 | 0 | 108.9 | K664 | K664-D670 WeakPolarHBondContact CE-OD1 3.33Å; K664-D670 IonicContact NZ-OD1 2.79Å; K664-D670 PolarHBondContact NZ-OD1 3.23Å | ||
| 671 | V | 86.8 | Confident | 87.2 | Confident | 22 Ų | 22 | 59 Ų | 59 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | trans | -103.3 | 133.7 | 174.7 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | K271 L641 K664 K669 F673 | K271-V671 HydrophobicContact CD-CG1 3.66Å; L641-V671 HydrophobicContact CD1-CG1 4.39Å; L641-V671 HydrophobicContact CD2-CB 4.26Å; L641-V671 HydrophobicContact CD2-CG2 3.73Å; L641-V671 HydrophobicContact CG-CG2 4.32Å; K664-V671 WeakPolarHBondContact CE-O 3.39Å; K669-V671 VanDerWaalsContact C-N 3.29Å; K669-V671 HydrophobicContact CB-CG2 4.02Å; K669-V671 HydrophobicContact CD-CG2 3.73Å; K669-V671 HydrophobicContact CG-CG2 3.69Å; K669-V671 PolarHBondContact O-N 3.09Å; V671-F673 HydrophobicContact CB-CE2 4.03Å; V671-F673 HydrophobicContact CB-CZ 4.37Å; V671-F673 HydrophobicContact CG1-CE2 4.31Å; V671-F673 HydrophobicContact CG1-CZ 4.36Å; V671-F673 WeakPolarHBondContact O-CD2 3.41Å; V671-F673 WeakPolarHBondContact O-CE2 3.26Å | ||
| 672 | H | 92.3 | Very high | 85.4 | Confident | 135 Ų | 135 | 59.5 Ų | 59.5 | 63% | 0.625 | 31% | 0.313 | S | S | * | . | trans | -68.5 | 134.1 | 171.3 | -176.2 | 69.1 | 0 | 0 | 0 | 109.8 | N674 | H672-N674 PolarHBondContact NE2-OD1 3.33Š| ||
| 673 | F | 95.5 | Very high | 83.5 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 6% | 0.057 | 33% | 0.333 | C | S | . | . | trans | -122 | 128.4 | 172.5 | -68.1 | -88.9 | 0 | 0 | 0 | 109 | K271 M273 L641 F649 K664 F667 V671 | K271-F673 HydrophobicContact CB-CD1 3.7Å; K271-F673 HydrophobicContact CB-CE1 3.84Å; K271-F673 CarbonylContact O-C 3.59Å; K271-F673 VanDerWaalsContact O-CA 3.3Å; K271-F673 WeakPolarHBondContact O-CA 3.35Å; M273-F673 HydrophobicContact CE-CB 4.39Å; M273-F673 HydrophobicContact CE-CD1 3.75Å; M273-F673 HydrophobicContact CE-CD2 3.58Å; M273-F673 HydrophobicContact CE-CE1 3.78Å; M273-F673 HydrophobicContact CE-CE2 3.61Å; M273-F673 HydrophobicContact CE-CG 3.65Å; M273-F673 HydrophobicContact CE-CZ 3.69Å; M273-F673 HydrophobicContact CG-CB 4.24Å; M273-F673 HydrophobicContact CG-CD1 4.06Å; M273-F673 HydrophobicContact CG-CG 4.22Å; M273-F673 HydrophobicContact SD-CB 4.41Å; M273-F673 HydrophobicContact SD-CG 4.28Å; L641-F673 HydrophobicContact CD1-CE1 3.93Å; L641-F673 HydrophobicContact CD1-CZ 3.55Å; L641-F673 HydrophobicContact CD2-CZ 4.48Å; F649-F673 HydrophobicContact CD2-CE1 4.21Å; F649-F673 AromaticContact CE2-CE1 3.89Å; F649-F673 HydrophobicContact CE2-CE1 3.89Å; F649-F673 HydrophobicContact CE2-CZ 4.42Å; K664-F673 HydrophobicContact CD-CD2 4.35Å; K664-F673 HydrophobicContact CG-CD2 4.08Å; K664-F673 HydrophobicContact CG-CE2 4.1Å; F667-F673 HydrophobicContact CD2-CZ 4.3Å; F667-F673 HydrophobicContact CE2-CZ 4.36Å; V671-F673 HydrophobicContact CB-CE2 4.03Å; V671-F673 HydrophobicContact CB-CZ 4.37Å; V671-F673 HydrophobicContact CG1-CE2 4.31Å; V671-F673 HydrophobicContact CG1-CZ 4.36Å; V671-F673 WeakPolarHBondContact O-CD2 3.41Å; V671-F673 WeakPolarHBondContact O-CE2 3.26Å | ||
| 674 | N | 97.3 | Very high | 81.5 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 23% | 0.225 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134.2 | 164.5 | -65.7 | -40 | 0 | 0 | 0 | 108.3 | Q265 K271 A272 M273 H672 F676 | Q265-N674 PolarHBondContact OE1-ND2 3.04Å; K271-N674 PolarHBondContact O-N 3.5Å; A272-N674 CarbonylContact C-O 3.57Å; A272-N674 WeakPolarHBondContact CA-O 3.13Å; A272-N674 HydrophobicContact CB-CB 4.4Å; M273-N674 PolarHBondContact N-O 2.94Å; H672-N674 PolarHBondContact NE2-OD1 3.33Å; N674-F676 HydrophobicContact CB-CD2 4.46Å; N674-F676 HydrophobicContact CB-CE2 3.52Å; N674-F676 HydrophobicContact CB-CZ 3.93Å |
| 675 | T | 96.6 | Very high | 79.7 | Confident | 81 Ų | 81 | 62.7 Ų | 62.7 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.3 | -175.6 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | M273 F660 | M273-T675 WeakPolarHBondContact O-CA 3.5Å; F660-T675 HydrophobicContact CB-CG2 4.2Å; F660-T675 HydrophobicContact CD2-CG2 3.57Å; F660-T675 HydrophobicContact CE2-CG2 4.11Å; F660-T675 HydrophobicContact CG-CG2 3.95Å |
| 676 | F | 95.3 | Very high | 78.2 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 18% | 0.18 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 149.7 | -177.1 | -56.1 | -87.9 | 0 | 0 | 0 | 111.2 | T261 Q265 A272 M273 I274 E275 N674 | T261-F676 HydrophobicContact CG2-CB 4.16Å; T261-F676 HydrophobicContact CG2-CD1 3.62Å; T261-F676 HydrophobicContact CG2-CD2 3.53Å; T261-F676 HydrophobicContact CG2-CE1 3.77Å; T261-F676 HydrophobicContact CG2-CE2 3.67Å; T261-F676 HydrophobicContact CG2-CG 3.49Å; T261-F676 VanDerWaalsContact CG2-CG 3.49Å; T261-F676 HydrophobicContact CG2-CZ 3.79Å; Q265-F676 HydrophobicContact CG-CE2 4.07Å; A272-F676 HydrophobicContact CB-CD2 4.35Å; A272-F676 HydrophobicContact CB-CE2 4.13Å; M273-F676 PolarHBondContact O-N 2.9Å; I274-F676 WeakPolarHBondContact CA-O 3.43Å; I274-F676 HydrophobicContact CG1-CB 4.21Å; I274-F676 HydrophobicContact CG1-CD2 4.14Å; I274-F676 HydrophobicContact CG2-CB 4.27Å; E275-F676 PolarHBondContact N-O 2.99Å; E275-F676 VanDerWaalsContact N-O 3.07Å; N674-F676 HydrophobicContact CB-CD2 4.46Å; N674-F676 HydrophobicContact CB-CE2 3.52Å; N674-F676 HydrophobicContact CB-CZ 3.93Å |
| 677 | E | 91 | Very high | 77.1 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.6 | 177.3 | -62.6 | -171.3 | -167.4 | 0 | 0 | 110.7 | K655 N679 | K655-E677 HydrophobicContact CD-CG 4.44Å; K655-E677 VanDerWaalsContact CD-OE1 3.31Å; K655-E677 WeakPolarHBondContact CD-OE1 3.25Å; K655-E677 WeakPolarHBondContact CE-OE1 3.17Å; K655-E677 IonicContact NZ-OE1 3.69Å; K655-E677 PolarHBondContact NZ-OE1 2.99Å; K655-E677 IonicContact NZ-OE2 3.89Å; K655-E677 PolarHBondContact NZ-OE2 2.7Å; E677-N679 PolarHBondContact OE2-ND2 3.22Å |
| 678 | V | 87.7 | Confident | 76.3 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.024 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 88.3 | 176.4 | -171.5 | 0 | 0 | 0 | 0 | 108.3 | Q254 Y257 L258 I274 E275 A276 S277 | Q254-V678 HydrophobicContact CB-CG1 3.86Å; Q254-V678 WeakPolarHBondContact O-CG1 3.24Å; Y257-V678 HydrophobicContact CD1-CG2 3.91Å; Y257-V678 HydrophobicContact CE1-CG2 4.04Å; L258-V678 HydrophobicContact CB-CG1 4.43Å; L258-V678 HydrophobicContact CB-CG2 4.19Å; L258-V678 HydrophobicContact CD1-CG2 4.02Å; I274-V678 HydrophobicContact CG2-CG2 4.32Å; E275-V678 PolarHBondContact O-N 2.88Å; A276-V678 HydrophobicContact CB-CB 4.14Å; S277-V678 PolarHBondContact N-O 3.21Å; S277-V678 VanDerWaalsContact N-O 3.13Å |
| 679 | N | 77.6 | Confident | 76.1 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 43% | 0.428 | 33% | 0.333 | S | S | . | . | trans | -91.9 | 113.1 | -179 | -66.4 | -39.8 | 0 | 0 | 0 | 110.5 | Q254 E677 | Q254-N679 PolarHBondContact NE2-O 3.34Å; Q254-N679 PolarHBondContact OE1-O 2.87Å; Q254-N679 VanDerWaalsContact OE1-O 3.04Å; E677-N679 PolarHBondContact OE2-ND2 3.22Å | ||
| 680 | T | 64.4 | Low | 76.2 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | trans | -73.1 | 129.2 | 163.7 | 51.5 | 0 | 0 | 0 | 0 | 108.7 | S277 L682 | S277-T680 WeakPolarHBondContact CB-OG1 3.48Å; T680-L682 VanDerWaalsContact C-N 3.33Å; T680-L682 PolarHBondContact O-N 3.33Å | ||
| 681 | S | 52.9 | Low | 76.5 | Confident | 88 Ų | 88 | 53 Ų | 53 | 62% | 0.615 | 28% | 0.276 | S | S | * | . | trans | -61.5 | 95.5 | 174.7 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | Q683 | S681-Q683 PolarHBondContact O-N 3.45Š| ||
| 682 | L | 51.4 | Low | 76.7 | Confident | 104 Ų | 104 | 52.3 Ų | 52.3 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | trans | -69.6 | 71.3 | 163.9 | -80 | 155 | 0 | 0 | 0 | 107.6 | T680 S684 A685 | T680-L682 VanDerWaalsContact C-N 3.33Å; T680-L682 PolarHBondContact O-N 3.33Å; L682-S684 PolarHBondContact O-N 3.48Å; L682-S684 VanDerWaalsContact O-N 3.1Å; L682-A685 PolarHBondContact O-N 3.15Å | ||
| 683 | Q | 48.3 | Very low | 76.7 | Confident | 134 Ų | 134 | 46.5 Ų | 46.5 | 63% | 0.626 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -57.8 | -21 | 171.2 | -70.1 | -172.3 | 3.3 | 0 | 0 | 111.2 | S681 A685 | S681-Q683 PolarHBondContact O-N 3.45Å; Q683-A685 VanDerWaalsContact C-N 3.35Å; Q683-A685 PolarHBondContact O-N 3.18Å |
| 684 | S | 50.6 | Low | 76.4 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -65.1 | -25.6 | 179 | 65.2 | 0 | 0 | 0 | 0 | 115 | L682 K686 N687 I843 | L682-S684 PolarHBondContact O-N 3.48Å; L682-S684 VanDerWaalsContact O-N 3.1Å; S684-K686 PolarHBondContact O-N 3.04Å; S684-K686 VanDerWaalsContact O-N 3.12Å; S684-N687 PolarHBondContact O-N 2.83Å; S684-I843 WeakPolarHBondContact OG-CG2 3.4Å |
| 685 | A | 53.5 | Low | 76.1 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 5% | 0.05 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -60.3 | -27.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L682 Q683 N687 T688 N874 | L682-A685 PolarHBondContact O-N 3.15Å; Q683-A685 VanDerWaalsContact C-N 3.35Å; Q683-A685 PolarHBondContact O-N 3.18Å; A685-N687 PolarHBondContact O-N 2.65Å; A685-N687 VanDerWaalsContact O-N 3.16Å; A685-T688 PolarHBondContact O-N 3.08Å; A685-T688 VanDerWaalsContact O-N 3.12Å; A685-N874 CarbonylContact C-O 3.57Å; A685-N874 VanDerWaalsContact C-O 3.32Å; A685-N874 HydrophobicContact CB-CB 3.67Å; A685-N874 WeakPolarHBondContact CB-O 3.29Å |
| 686 | K | 58.2 | Low | 75.6 | Confident | 151 Ų | 151 | 47.5 Ų | 47.5 | 66% | 0.657 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -63.8 | -19.3 | 176.1 | -68.9 | -175.6 | 179.3 | 178.2 | 0 | 114.1 | S684 R876 | S684-K686 PolarHBondContact O-N 3.04Å; S684-K686 VanDerWaalsContact O-N 3.12Å; K686-R876 PolarHBondContact O-NE 3.47Å; K686-R876 PolarHBondContact O-NH2 2.96Å |
| 687 | N | 67.8 | Low | 74.8 | Confident | 75 Ų | 75 | 47.8 Ų | 47.8 | 40% | 0.401 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -92.7 | -2.8 | 178.7 | -73 | -19.9 | 0 | 0 | 0 | 113.6 | S684 A685 E846 | S684-N687 PolarHBondContact O-N 2.83Å; A685-N687 PolarHBondContact O-N 2.65Å; A685-N687 VanDerWaalsContact O-N 3.16Å; N687-E846 PolarHBondContact ND2-O 3.3Å; N687-E846 VanDerWaalsContact ND2-O 3.11Å |
| 688 | T | 75.2 | Confident | 74.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -110.3 | 136.5 | -178.2 | -64.6 | 0 | 0 | 0 | 0 | 111 | A685 I843 G850 I852 Y875 R876 | A685-T688 PolarHBondContact O-N 3.08Å; A685-T688 VanDerWaalsContact O-N 3.12Å; T688-I843 HydrophobicContact CG2-CD1 3.97Å; T688-I843 HydrophobicContact CG2-CG1 4.49Å; T688-I843 WeakPolarHBondContact OG1-CD1 3.33Å; T688-I843 WeakPolarHBondContact OG1-CG1 3.49Å; T688-G850 WeakPolarHBondContact CA-O 3.11Å; T688-G850 WeakPolarHBondContact CG2-O 3.33Å; T688-G850 PolarHBondContact OG1-N 3.42Å; T688-I852 HydrophobicContact CG2-CD1 3.75Å; T688-Y875 HydrophobicContact CG2-CD1 3.64Å; T688-Y875 HydrophobicContact CG2-CE1 3.79Å; T688-R876 PolarHBondContact O-N 2.82Å; T688-R876 VanDerWaalsContact O-N 3.15Å | ||
| 689 | S | 84.8 | Confident | 73.9 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138 | 177 | -66.4 | 0 | 0 | 0 | 0 | 110.8 | G850 I851 I852 R876 | S689-G850 PolarHBondContact N-O 3.29Å; S689-I851 WeakPolarHBondContact O-CA 3.36Å; S689-I852 PolarHBondContact O-N 3.49Å; S689-R876 CarbonylContact C-O 3.52Å; S689-R876 VanDerWaalsContact CA-O 3.22Å; S689-R876 WeakPolarHBondContact CA-O 3.28Å |
| 690 | V | 87.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.5 | 166 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | I692 I852 L872 Y875 R876 Q877 K878 | V690-I692 HydrophobicContact CG1-CG1 4.31Å; V690-I852 CarbonylContact C-O 3.58Å; V690-I852 WeakPolarHBondContact CA-O 3.46Å; V690-I852 HydrophobicContact CG1-CG2 4.44Å; V690-I852 HydrophobicContact CG2-CB 4.12Å; V690-I852 HydrophobicContact CG2-CD1 3.8Å; V690-L872 HydrophobicContact CG1-CD1 4.35Å; V690-L872 HydrophobicContact CG2-CD2 3.71Å; V690-Y875 HydrophobicContact CG2-CD1 4.3Å; V690-Y875 HydrophobicContact CG2-CG 4.17Å; V690-R876 PolarHBondContact N-O 3Å; V690-Q877 HydrophobicContact CB-CG 4.47Å; V690-Q877 CarbonylContact O-C 3.54Å; V690-Q877 WeakPolarHBondContact O-CA 3.25Å; V690-K878 PolarHBondContact O-N 3.02Å |
| 691 | F | 92.1 | Very high | 73.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.3 | 175.8 | -168.4 | -93 | 0 | 0 | 0 | 109.9 | P693 Y714 I851 I852 V853 S854 K878 G880 D881 F885 L888 | F691-P693 HydrophobicContact CD1-CG 4.09Å; F691-P693 HydrophobicContact CE1-CB 4.44Å; F691-P693 HydrophobicContact CE1-CG 4.08Å; F691-Y714 HydrophobicContact CD1-CE1 4.24Å; F691-Y714 AromaticContact CE1-CE1 3.75Å; F691-Y714 HydrophobicContact CE1-CE1 3.75Å; F691-I851 HydrophobicContact CB-CD1 4.38Å; F691-I852 PolarHBondContact N-O 3.09Å; F691-V853 HydrophobicContact CD1-CG1 4.47Å; F691-V853 WeakPolarHBondContact O-CA 3.28Å; F691-S854 PolarHBondContact O-N 2.56Å; F691-K878 CarbonylContact C-O 3.58Å; F691-K878 VanDerWaalsContact CA-O 3.3Å; F691-K878 WeakPolarHBondContact CA-O 3.28Å; F691-K878 HydrophobicContact CD2-CB 4.18Å; F691-K878 HydrophobicContact CD2-CD 4.24Å; F691-K878 HydrophobicContact CD2-CG 4.26Å; F691-K878 HydrophobicContact CE2-CD 4.14Å; F691-K878 HydrophobicContact CE2-CG 4.24Å; F691-G880 WeakPolarHBondContact CE1-O 3.44Å; F691-G880 VanDerWaalsContact CZ-C 3.48Å; F691-G880 VanDerWaalsContact CZ-O 3.23Å; F691-G880 WeakPolarHBondContact CZ-O 3.39Å; F691-D881 WeakPolarHBondContact CZ-O 3.5Å; F691-F885 HydrophobicContact CB-CD2 4.2Å; F691-F885 HydrophobicContact CB-CE2 4.48Å; F691-F885 HydrophobicContact CD1-CB 4.22Å; F691-F885 AromaticContact CD1-CD2 3.66Å; F691-F885 HydrophobicContact CD1-CD2 3.66Å; F691-F885 HydrophobicContact CD1-CE2 4.43Å; F691-F885 HydrophobicContact CD1-CG 4.26Å; F691-F885 HydrophobicContact CD2-CD2 4.16Å; F691-F885 HydrophobicContact CE1-CB 3.7Å; F691-F885 HydrophobicContact CE1-CD2 4.05Å; F691-F885 HydrophobicContact CE1-CG 4.2Å; F691-F885 HydrophobicContact CE2-CB 4.06Å; F691-F885 HydrophobicContact CE2-CD2 4.49Å; F691-F885 AromaticContact CG-CD2 3.72Å; F691-F885 HydrophobicContact CG-CD2 3.72Å; F691-F885 HydrophobicContact CG-CE2 4.44Å; F691-F885 HydrophobicContact CZ-CB 3.6Å; F691-F885 HydrophobicContact CZ-CD2 4.43Å; F691-F885 HydrophobicContact CZ-CG 4.47Å; F691-L888 HydrophobicContact CB-CD2 4.38Å; F691-L888 HydrophobicContact CD2-CD2 3.83Å |
| 692 | I | 91.4 | Very high | 74.8 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 5% | 0.046 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 107.4 | 176.7 | -52.1 | 171.2 | 0 | 0 | 0 | 107.5 | V690 S694 L859 I860 K878 K879 G880 | V690-I692 HydrophobicContact CG1-CG1 4.31Å; I692-S694 PolarHBondContact O-N 2.65Å; I692-L859 HydrophobicContact CD1-CD2 3.65Å; I692-L859 HydrophobicContact CD1-CG 4.2Å; I692-L859 HydrophobicContact CG1-CD2 4.07Å; I692-I860 HydrophobicContact CB-CD1 4.06Å; I692-I860 HydrophobicContact CD1-CD1 3.65Å; I692-I860 HydrophobicContact CD1-CG1 3.77Å; I692-I860 HydrophobicContact CG1-CD1 4.44Å; I692-I860 HydrophobicContact CG2-CD1 3.54Å; I692-I860 HydrophobicContact CG2-CG1 4.39Å; I692-K878 PolarHBondContact N-O 3.08Å; I692-K879 VanDerWaalsContact O-CA 3.31Å; I692-K879 WeakPolarHBondContact O-CA 3.43Å; I692-K879 WeakPolarHBondContact O-CG 3.31Å; I692-G880 PolarHBondContact O-N 3.25Å |
| 693 | P | 92.7 | Very high | 76 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 135 | 176.5 | -29.9 | 39.8 | 0 | 0 | 0 | 112.5 | F691 V696 Y714 V853 S854 F855 G880 | F691-P693 HydrophobicContact CD1-CG 4.09Å; F691-P693 HydrophobicContact CE1-CB 4.44Å; F691-P693 HydrophobicContact CE1-CG 4.08Å; P693-V696 HydrophobicContact CB-CB 4.08Å; P693-V696 HydrophobicContact CB-CG2 3.51Å; P693-V696 HydrophobicContact CG-CG2 4.31Å; P693-Y714 HydrophobicContact CB-CE1 4.29Å; P693-Y714 HydrophobicContact CB-CE2 4.14Å; P693-Y714 WeakPolarHBondContact CB-OH 3.06Å; P693-Y714 HydrophobicContact CG-CD1 4.41Å; P693-Y714 HydrophobicContact CG-CE1 3.82Å; P693-Y714 HydrophobicContact CG-CE2 4.27Å; P693-V853 HydrophobicContact CG-CG1 3.9Å; P693-S854 WeakPolarHBondContact CD-O 3.2Å; P693-F855 HydrophobicContact CB-CD1 4.47Å; P693-F855 HydrophobicContact CG-CD1 3.79Å; P693-F855 HydrophobicContact CG-CE1 3.97Å; P693-G880 CarbonylContact C-O 3.57Å; P693-G880 VanDerWaalsContact CA-O 3.28Å; P693-G880 WeakPolarHBondContact CA-O 3.28Å |
| 694 | S | 89.3 | Confident | 77.6 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 48% | 0.476 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -102.5 | -12.5 | 174.1 | 59.3 | 0 | 0 | 0 | 0 | 113.9 | I692 G880 D881 | I692-S694 PolarHBondContact O-N 2.65Å; S694-G880 PolarHBondContact N-O 3.46Å; S694-G880 WeakPolarHBondContact OG-CA 3.37Å; S694-G880 PolarHBondContact OG-O 3.5Å; S694-D881 PolarHBondContact OG-N 2.83Å |
| 695 | D | 89.4 | Confident | 79.4 | Confident | 71 Ų | 71 | 60 Ų | 60 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -101 | 7.7 | -178.7 | 57.7 | -20 | 0 | 0 | 0 | 113 | Y714 D881 I882 | D695-Y714 PolarHBondContact OD1-OH 3.47Å; D695-Y714 PolarHBondContact OD2-OH 2.77Å; D695-D881 HydrophobicContact CB-CB 4.12Å; D695-I882 PolarHBondContact OD2-N 3.11Å |
| 696 | V | 86.3 | Confident | 81 | Confident | 18 Ų | 18 | 64.7 Ų | 64.7 | 11% | 0.109 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -101.8 | 123.1 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | P693 Y707 Y714 F855 | P693-V696 HydrophobicContact CB-CB 4.08Å; P693-V696 HydrophobicContact CB-CG2 3.51Å; P693-V696 HydrophobicContact CG-CG2 4.31Å; V696-Y707 HydrophobicContact CG1-CD2 3.86Å; V696-Y707 HydrophobicContact CG1-CE2 3.67Å; V696-Y714 HydrophobicContact CG2-CD2 4.43Å; V696-Y714 HydrophobicContact CG2-CE2 3.84Å; V696-F855 HydrophobicContact CG1-CD1 4.35Å; V696-F855 HydrophobicContact CG2-CD1 4.07Å; V696-F855 HydrophobicContact CG2-CE1 4.43Å |
| 697 | A | 79.9 | Confident | 82.6 | Confident | 47 Ų | 47 | 57.8 Ų | 57.8 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 144.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y699 Y707 | A697-Y699 PolarHBondContact O-N 2.88Å; A697-Y707 VanDerWaalsContact O-CD2 3.27Å; A697-Y707 WeakPolarHBondContact O-CD2 3.25Å; A697-Y707 VanDerWaalsContact O-CE2 3.32Å; A697-Y707 WeakPolarHBondContact O-CE2 3.38Å |
| 698 | S | 80.1 | Confident | 83.7 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 138.5 | 174 | -50.3 | 0 | 0 | 0 | 0 | 109.8 | Q700 D857 | S698-Q700 PolarHBondContact O-N 2.8Å; S698-Q700 VanDerWaalsContact O-N 3.1Å; S698-D857 WeakPolarHBondContact CB-OD2 3.42Å; S698-D857 PolarHBondContact OG-OD2 2.72Å |
| 699 | Y | 78.4 | Confident | 84.5 | Confident | 65 Ų | 65 | 56 Ų | 56 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 119.1 | -178.4 | 172.7 | -97.4 | 0 | 0 | 0 | 111.7 | A697 I704 Y707 M735 | A697-Y699 PolarHBondContact O-N 2.88Å; Y699-I704 HydrophobicContact CE2-CD1 4.27Å; Y699-I704 HydrophobicContact CE2-CG1 4.32Å; Y699-Y707 AromaticContact CD2-CD1 3.93Å; Y699-Y707 HydrophobicContact CD2-CD1 3.93Å; Y699-Y707 HydrophobicContact CD2-CE1 4.14Å; Y699-Y707 HydrophobicContact CD2-CG 4.2Å; Y699-M735 HydrophobicContact CD2-CE 3.72Å; Y699-M735 HydrophobicContact CE2-CE 3.3Å |
| 700 | Q | 72.4 | Confident | 84.9 | Confident | 124 Ų | 124 | 56.6 Ų | 56.6 | 58% | 0.579 | 29% | 0.294 | S | S | * | . | trans | -121.2 | 123 | 172.1 | -66.6 | -178.7 | 7.4 | 0 | 0 | 109.2 | S698 K702 N703 | S698-Q700 PolarHBondContact O-N 2.8Å; S698-Q700 VanDerWaalsContact O-N 3.1Å; Q700-K702 PolarHBondContact O-N 2.85Å; Q700-N703 CarbonylContact O-C 3.51Å; Q700-N703 PolarHBondContact O-N 3.37Å | ||
| 701 | Y | 69.3 | Low | 85.2 | Confident | 167 Ų | 167 | 56.6 Ų | 56.6 | 66% | 0.655 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -30.2 | -179.8 | -176.7 | -98.5 | 0 | 0 | 0 | 113.3 | ||
| 702 | K | 72.2 | Confident | 85.4 | Confident | 205 Ų | 205 | 57 Ų | 57 | 89% | 0.891 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -19.8 | 178.2 | -66.5 | -172.5 | 178.3 | -176.9 | 0 | 114.4 | Q700 | Q700-K702 PolarHBondContact O-N 2.85Š|
| 703 | N | 76.6 | Confident | 85.5 | Confident | 63 Ų | 63 | 59.1 Ų | 59.1 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | trans | -131.2 | 59.8 | -177.5 | -171.2 | 9.6 | 0 | 0 | 0 | 109.4 | Q700 D705 E706 | Q700-N703 CarbonylContact O-C 3.51Å; Q700-N703 PolarHBondContact O-N 3.37Å; N703-D705 VanDerWaalsContact C-N 3.35Å; N703-E706 PolarHBondContact ND2-OE2 3.04Å | ||
| 704 | I | 83.2 | Confident | 85.7 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -74.3 | -27.7 | -177.5 | -169.2 | 162.8 | 0 | 0 | 0 | 111.9 | Y699 Y707 V708 M735 M738 | Y699-I704 HydrophobicContact CE2-CD1 4.27Å; Y699-I704 HydrophobicContact CE2-CG1 4.32Å; I704-Y707 WeakPolarHBondContact O-CB 3.28Å; I704-Y707 PolarHBondContact O-N 3.31Å; I704-V708 HydrophobicContact CG1-CG2 4.16Å; I704-V708 WeakPolarHBondContact O-CG2 3.19Å; I704-V708 PolarHBondContact O-N 2.83Å; I704-M735 HydrophobicContact CD1-CB 4.43Å; I704-M735 HydrophobicContact CD1-CE 4Å; I704-M735 HydrophobicContact CG1-CE 4.13Å; I704-M738 HydrophobicContact CD1-SD 4.28Å; I704-M738 HydrophobicContact CG1-SD 4.36Å; I704-M738 HydrophobicContact CG2-CE 3.96Å; I704-M738 HydrophobicContact CG2-SD 4.22Å |
| 705 | D | 87.1 | Confident | 85.9 | Confident | 96 Ų | 96 | 55.4 Ų | 55.4 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | -175.3 | -58 | -49.4 | 0 | 0 | 0 | 112.2 | N703 Y707 V708 A709 M738 | N703-D705 VanDerWaalsContact C-N 3.35Å; D705-Y707 VanDerWaalsContact C-N 3.3Å; D705-Y707 PolarHBondContact O-N 2.66Å; D705-V708 PolarHBondContact O-N 3.38Å; D705-A709 WeakPolarHBondContact O-CB 3.28Å; D705-A709 PolarHBondContact O-N 3.11Å; D705-M738 WeakPolarHBondContact OD1-CE 3.3Å |
| 706 | E | 87.8 | Confident | 86.1 | Confident | 104 Ų | 104 | 53.9 Ų | 53.9 | 49% | 0.486 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 176.9 | -171.9 | 179.3 | 179 | 0 | 0 | 112 | N703 S710 | N703-E706 PolarHBondContact ND2-OE2 3.04Å; E706-S710 WeakPolarHBondContact O-CB 3.4Å; E706-S710 PolarHBondContact O-N 3.45Å; E706-S710 PolarHBondContact O-OG 3.49Å |
| 707 | Y | 90.7 | Very high | 86.5 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.02 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 176.1 | -162.6 | -101.9 | 0 | 0 | 0 | 111.6 | V696 A697 Y699 I704 D705 S710 I711 M735 A800 F855 | V696-Y707 HydrophobicContact CG1-CD2 3.86Å; V696-Y707 HydrophobicContact CG1-CE2 3.67Å; A697-Y707 VanDerWaalsContact O-CD2 3.27Å; A697-Y707 WeakPolarHBondContact O-CD2 3.25Å; A697-Y707 VanDerWaalsContact O-CE2 3.32Å; A697-Y707 WeakPolarHBondContact O-CE2 3.38Å; Y699-Y707 AromaticContact CD2-CD1 3.93Å; Y699-Y707 HydrophobicContact CD2-CD1 3.93Å; Y699-Y707 HydrophobicContact CD2-CE1 4.14Å; Y699-Y707 HydrophobicContact CD2-CG 4.2Å; I704-Y707 WeakPolarHBondContact O-CB 3.28Å; I704-Y707 PolarHBondContact O-N 3.31Å; D705-Y707 VanDerWaalsContact C-N 3.3Å; D705-Y707 PolarHBondContact O-N 2.66Å; Y707-S710 WeakPolarHBondContact O-CB 3.31Å; Y707-S710 PolarHBondContact O-N 3.36Å; Y707-I711 HydrophobicContact CD1-CD1 3.87Å; Y707-I711 HydrophobicContact CE1-CD1 3.85Å; Y707-I711 WeakPolarHBondContact O-CG1 3.42Å; Y707-I711 PolarHBondContact O-N 2.83Å; Y707-I711 VanDerWaalsContact O-N 3.12Å; Y707-M735 HydrophobicContact CD1-CE 3.87Å; Y707-M735 HydrophobicContact CD1-SD 4.23Å; Y707-M735 HydrophobicContact CE1-CE 4.19Å; Y707-M735 HydrophobicContact CE1-SD 4.33Å; Y707-A800 PolarHBondContact OH-O 3.13Å; Y707-F855 WeakPolarHBondContact OH-CB 3.3Å; Y707-F855 PolarHBondContact OH-O 3.34Å |
| 708 | V | 91.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 175.9 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | I704 D705 S710 I711 V712 M735 M738 V739 M742 | I704-V708 HydrophobicContact CG1-CG2 4.16Å; I704-V708 WeakPolarHBondContact O-CG2 3.19Å; I704-V708 PolarHBondContact O-N 2.83Å; D705-V708 PolarHBondContact O-N 3.38Å; V708-S710 VanDerWaalsContact C-N 3.26Å; V708-S710 PolarHBondContact O-N 3.02Å; V708-I711 WeakPolarHBondContact O-CB 3.3Å; V708-I711 PolarHBondContact O-N 3.4Å; V708-I711 VanDerWaalsContact O-N 3.11Å; V708-V712 WeakPolarHBondContact O-CG2 3.22Å; V708-V712 PolarHBondContact O-N 2.91Å; V708-M735 HydrophobicContact CG2-CG 3.87Å; V708-M738 HydrophobicContact CG1-CB 4.03Å; V708-M738 HydrophobicContact CG2-CB 4.15Å; V708-M738 HydrophobicContact CG2-CE 4.07Å; V708-M738 HydrophobicContact CG2-SD 4.39Å; V708-V739 HydrophobicContact CG1-CG2 3.8Å; V708-V739 HydrophobicContact CG2-CG2 4.49Å; V708-M742 HydrophobicContact CG1-SD 3.67Å |
| 709 | A | 91.9 | Very high | 87.7 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 31% | 0.314 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.1 | -37 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D705 V712 S713 | D705-A709 WeakPolarHBondContact O-CB 3.28Å; D705-A709 PolarHBondContact O-N 3.11Å; A709-V712 PolarHBondContact O-N 3.43Å; A709-S713 WeakPolarHBondContact O-CB 3.33Å; A709-S713 PolarHBondContact O-N 2.98Å; A709-S713 PolarHBondContact O-OG 2.95Å |
| 710 | S | 93.2 | Very high | 88.2 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 16% | 0.161 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 174.1 | -62 | 0 | 0 | 0 | 0 | 111.8 | E706 Y707 V708 V712 S713 Y714 | E706-S710 WeakPolarHBondContact O-CB 3.4Å; E706-S710 PolarHBondContact O-N 3.45Å; E706-S710 PolarHBondContact O-OG 3.49Å; Y707-S710 WeakPolarHBondContact O-CB 3.31Å; Y707-S710 PolarHBondContact O-N 3.36Å; V708-S710 VanDerWaalsContact C-N 3.26Å; V708-S710 PolarHBondContact O-N 3.02Å; S710-V712 VanDerWaalsContact C-N 3.35Å; S710-V712 PolarHBondContact O-N 3.27Å; S710-S713 PolarHBondContact O-N 2.67Å; S710-Y714 WeakPolarHBondContact O-CD2 3.26Å; S710-Y714 PolarHBondContact O-N 3.1Å; S710-Y714 VanDerWaalsContact O-N 3.16Å |
| 711 | I | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.5 | -48.6 | 176 | -67 | 167 | 0 | 0 | 0 | 110.3 | Y707 V708 S713 Y714 I715 V728 F730 M735 V739 A800 F855 | Y707-I711 HydrophobicContact CD1-CD1 3.87Å; Y707-I711 HydrophobicContact CE1-CD1 3.85Å; Y707-I711 WeakPolarHBondContact O-CG1 3.42Å; Y707-I711 PolarHBondContact O-N 2.83Å; Y707-I711 VanDerWaalsContact O-N 3.12Å; V708-I711 WeakPolarHBondContact O-CB 3.3Å; V708-I711 PolarHBondContact O-N 3.4Å; V708-I711 VanDerWaalsContact O-N 3.11Å; I711-S713 VanDerWaalsContact C-N 3.34Å; I711-S713 PolarHBondContact O-N 3.12Å; I711-Y714 PolarHBondContact O-N 2.98Å; I711-I715 HydrophobicContact CG2-CD1 3.87Å; I711-I715 HydrophobicContact CG2-CG1 4.42Å; I711-I715 WeakPolarHBondContact O-CG1 3.39Å; I711-I715 PolarHBondContact O-N 3.1Å; I711-V728 HydrophobicContact CG2-CG1 4.24Å; I711-F730 HydrophobicContact CD1-CE1 4.31Å; I711-M735 HydrophobicContact CD1-SD 4.14Å; I711-V739 HydrophobicContact CG2-CG2 4.28Å; I711-A800 HydrophobicContact CD1-CB 3.8Å; I711-F855 HydrophobicContact CB-CE2 4.28Å; I711-F855 HydrophobicContact CB-CZ 4.27Å; I711-F855 HydrophobicContact CG1-CD1 4.24Å; I711-F855 HydrophobicContact CG1-CD2 3.88Å; I711-F855 HydrophobicContact CG1-CE1 4.27Å; I711-F855 HydrophobicContact CG1-CE2 3.86Å; I711-F855 HydrophobicContact CG1-CG 4.05Å; I711-F855 HydrophobicContact CG1-CZ 4.09Å; I711-F855 HydrophobicContact CG2-CE2 4.04Å; I711-F855 HydrophobicContact CG2-CZ 4.28Å |
| 712 | V | 94.8 | Very high | 90 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -45 | 178.7 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | V708 A709 S710 Y714 I715 I716 V739 M742 L743 L746 | V708-V712 WeakPolarHBondContact O-CG2 3.22Å; V708-V712 PolarHBondContact O-N 2.91Å; A709-V712 PolarHBondContact O-N 3.43Å; S710-V712 VanDerWaalsContact C-N 3.35Å; S710-V712 PolarHBondContact O-N 3.27Å; V712-Y714 VanDerWaalsContact C-N 3.29Å; V712-Y714 PolarHBondContact O-N 2.92Å; V712-I715 WeakPolarHBondContact O-CB 3.3Å; V712-I715 PolarHBondContact O-N 2.87Å; V712-I716 HydrophobicContact CG1-CD1 4.08Å; V712-I716 HydrophobicContact CG1-CG1 4.41Å; V712-I716 WeakPolarHBondContact O-CG1 3.2Å; V712-I716 PolarHBondContact O-N 3.35Å; V712-V739 HydrophobicContact CG2-CG1 4.13Å; V712-V739 HydrophobicContact CG2-CG2 4.43Å; V712-M742 HydrophobicContact CG2-CB 3.94Å; V712-M742 HydrophobicContact CG2-SD 4.07Å; V712-L743 HydrophobicContact CG1-CD2 4.27Å; V712-L746 HydrophobicContact CG1-CD1 3.54Å |
| 713 | S | 94.4 | Very high | 90.7 | Very high | 55 Ų | 55 | 32.8 Ų | 32.8 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 177.7 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | A709 S710 I711 I716 E717 | A709-S713 WeakPolarHBondContact O-CB 3.33Å; A709-S713 PolarHBondContact O-N 2.98Å; A709-S713 PolarHBondContact O-OG 2.95Å; S710-S713 PolarHBondContact O-N 2.67Å; I711-S713 VanDerWaalsContact C-N 3.34Å; I711-S713 PolarHBondContact O-N 3.12Å; S713-I716 PolarHBondContact O-N 3.02Å; S713-E717 PolarHBondContact O-N 3.48Å |
| 714 | Y | 96 | Very high | 91.2 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.6 | -33.5 | 176.3 | -89.6 | -96.7 | 0 | 0 | 0 | 113.2 | F691 P693 D695 V696 S710 I711 V712 Y718 V853 F855 I882 F885 | F691-Y714 HydrophobicContact CD1-CE1 4.24Å; F691-Y714 AromaticContact CE1-CE1 3.75Å; F691-Y714 HydrophobicContact CE1-CE1 3.75Å; P693-Y714 HydrophobicContact CB-CE1 4.29Å; P693-Y714 HydrophobicContact CB-CE2 4.14Å; P693-Y714 WeakPolarHBondContact CB-OH 3.06Å; P693-Y714 HydrophobicContact CG-CD1 4.41Å; P693-Y714 HydrophobicContact CG-CE1 3.82Å; P693-Y714 HydrophobicContact CG-CE2 4.27Å; D695-Y714 PolarHBondContact OD1-OH 3.47Å; D695-Y714 PolarHBondContact OD2-OH 2.77Å; V696-Y714 HydrophobicContact CG2-CD2 4.43Å; V696-Y714 HydrophobicContact CG2-CE2 3.84Å; S710-Y714 WeakPolarHBondContact O-CD2 3.26Å; S710-Y714 PolarHBondContact O-N 3.1Å; S710-Y714 VanDerWaalsContact O-N 3.16Å; I711-Y714 PolarHBondContact O-N 2.98Å; V712-Y714 VanDerWaalsContact C-N 3.29Å; V712-Y714 PolarHBondContact O-N 2.92Å; Y714-Y718 WeakPolarHBondContact O-CB 3.33Å; Y714-Y718 PolarHBondContact O-N 3.21Å; Y714-V853 HydrophobicContact CD1-CG1 4.5Å; Y714-F855 HydrophobicContact CD1-CE1 4.32Å; Y714-F855 AromaticContact CD2-CE1 3.8Å; Y714-F855 HydrophobicContact CD2-CE1 3.8Å; Y714-F855 HydrophobicContact CD2-CZ 4.49Å; Y714-F855 HydrophobicContact CE2-CE1 4.43Å; Y714-F855 AromaticContact CG-CE1 3.72Å; Y714-F855 HydrophobicContact CG-CE1 3.72Å; Y714-F855 HydrophobicContact CG-CZ 4.03Å; Y714-I882 HydrophobicContact CD1-CG1 4.44Å; Y714-I882 HydrophobicContact CD2-CD1 4.04Å; Y714-I882 HydrophobicContact CD2-CG1 4.3Å; Y714-I882 HydrophobicContact CE1-CB 4.37Å; Y714-I882 HydrophobicContact CE1-CG1 4.26Å; Y714-I882 HydrophobicContact CE2-CB 4Å; Y714-I882 HydrophobicContact CE2-CD1 4.22Å; Y714-I882 HydrophobicContact CE2-CG1 4.14Å; Y714-I882 HydrophobicContact CG-CD1 4.39Å; Y714-I882 HydrophobicContact CG-CG1 4.46Å; Y714-I882 WeakPolarHBondContact OH-CA 3.46Å; Y714-I882 PolarHBondContact OH-N 3.02Å; Y714-I882 VanDerWaalsContact OH-N 3.09Å; Y714-F885 HydrophobicContact CD1-CB 4.38Å; Y714-F885 AromaticContact CD1-CD1 3.53Å; Y714-F885 HydrophobicContact CD1-CD1 3.53Å; Y714-F885 HydrophobicContact CD1-CD2 4.45Å; Y714-F885 AromaticContact CD1-CE1 3.81Å; Y714-F885 HydrophobicContact CD1-CE1 3.81Å; Y714-F885 AromaticContact CD1-CG 3.89Å; Y714-F885 HydrophobicContact CD1-CG 3.89Å; Y714-F885 HydrophobicContact CD1-CZ 4.38Å; Y714-F885 HydrophobicContact CE1-CB 3.78Å; Y714-F885 AromaticContact CE1-CD1 3.83Å; Y714-F885 HydrophobicContact CE1-CD1 3.83Å; Y714-F885 HydrophobicContact CE1-CD2 4.38Å; Y714-F885 AromaticContact CE1-CG 3.75Å; Y714-F885 HydrophobicContact CE1-CG 3.75Å |
| 715 | I | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 171.9 | -64.5 | 166.9 | 0 | 0 | 0 | 109.9 | I711 V712 Y718 T719 V728 V739 L743 F749 I776 M798 | I711-I715 HydrophobicContact CG2-CD1 3.87Å; I711-I715 HydrophobicContact CG2-CG1 4.42Å; I711-I715 WeakPolarHBondContact O-CG1 3.39Å; I711-I715 PolarHBondContact O-N 3.1Å; V712-I715 WeakPolarHBondContact O-CB 3.3Å; V712-I715 PolarHBondContact O-N 2.87Å; I715-Y718 PolarHBondContact O-N 3.05Å; I715-T719 HydrophobicContact CG2-CG2 4.21Å; I715-T719 WeakPolarHBondContact O-CB 3.28Å; I715-T719 WeakPolarHBondContact O-CG2 3.45Å; I715-T719 PolarHBondContact O-N 3.33Å; I715-T719 PolarHBondContact O-OG1 3.17Å; I715-V728 HydrophobicContact CD1-CG2 3.81Å; I715-V728 HydrophobicContact CG1-CG2 4.16Å; I715-V739 HydrophobicContact CD1-CG1 4.04Å; I715-L743 HydrophobicContact CD1-CD1 4.35Å; I715-L743 HydrophobicContact CD1-CD2 4.36Å; I715-L743 HydrophobicContact CG2-CD2 4.04Å; I715-F749 HydrophobicContact CG2-CE1 3.91Å; I715-F749 HydrophobicContact CG2-CZ 3.8Å; I715-I776 HydrophobicContact CG2-CD1 3.82Å; I715-M798 HydrophobicContact CG1-CE 4.28Å; I715-M798 HydrophobicContact CG1-SD 3.65Å |
| 716 | I | 93.9 | Very high | 91.5 | Very high | 39 Ų | 39 | 25.6 Ų | 25.6 | 20% | 0.2 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.5 | -51.3 | 176.3 | -64.4 | 169.9 | 0 | 0 | 0 | 110.2 | V712 S713 Y718 T719 T720 L746 E748 F749 | V712-I716 HydrophobicContact CG1-CD1 4.08Å; V712-I716 HydrophobicContact CG1-CG1 4.41Å; V712-I716 WeakPolarHBondContact O-CG1 3.2Å; V712-I716 PolarHBondContact O-N 3.35Å; S713-I716 PolarHBondContact O-N 3.02Å; I716-Y718 VanDerWaalsContact C-N 3.3Å; I716-Y718 PolarHBondContact O-N 3.13Å; I716-T719 PolarHBondContact O-N 2.84Å; I716-T719 PolarHBondContact O-OG1 3.05Å; I716-T719 VanDerWaalsContact O-OG1 3.12Å; I716-T720 WeakPolarHBondContact O-CB 3.23Å; I716-T720 PolarHBondContact O-N 3.4Å; I716-T720 PolarHBondContact O-OG1 3.48Å; I716-L746 HydrophobicContact CD1-CD1 3.83Å; I716-L746 HydrophobicContact CG1-CD1 4.48Å; I716-E748 HydrophobicContact CG2-CG 4.48Å; I716-F749 HydrophobicContact CB-CZ 4.38Å; I716-F749 HydrophobicContact CG1-CE2 3.7Å; I716-F749 HydrophobicContact CG1-CZ 3.56Å |
| 717 | E | 94.5 | Very high | 91.6 | Very high | 47 Ų | 47 | 20.8 Ų | 20.8 | 22% | 0.22 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.5 | -41.6 | -179.6 | -175.3 | 68.2 | -170 | 0 | 0 | 111.5 | S713 I721 I882 F885 G886 R890 | S713-E717 PolarHBondContact O-N 3.48Å; E717-I721 HydrophobicContact CG-CD1 4.17Å; E717-I721 WeakPolarHBondContact O-CG1 3.45Å; E717-I721 PolarHBondContact O-N 3.42Å; E717-I721 VanDerWaalsContact OE1-CD1 3.27Å; E717-I721 WeakPolarHBondContact OE1-CD1 3.28Å; E717-I882 HydrophobicContact CB-CD1 4.19Å; E717-I882 HydrophobicContact CB-CG1 4.15Å; E717-I882 HydrophobicContact CG-CG1 4.12Å; E717-F885 HydrophobicContact CB-CD1 4.36Å; E717-F885 HydrophobicContact CB-CE1 4.48Å; E717-F885 HydrophobicContact CG-CD1 3.99Å; E717-F885 HydrophobicContact CG-CE1 4.45Å; E717-G886 WeakPolarHBondContact OE1-CA 3.1Å; E717-R890 IonicContact OE1-NH2 3.5Å |
| 718 | Y | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.3 | -51.3 | 177.9 | 170.8 | -98.2 | 0 | 0 | 0 | 112.9 | Y714 I715 I716 I721 T722 S724 K725 C726 I794 C796 M798 I851 L889 | Y714-Y718 WeakPolarHBondContact O-CB 3.33Å; Y714-Y718 PolarHBondContact O-N 3.21Å; I715-Y718 PolarHBondContact O-N 3.05Å; I716-Y718 VanDerWaalsContact C-N 3.3Å; I716-Y718 PolarHBondContact O-N 3.13Å; Y718-I721 PolarHBondContact O-N 3.05Å; Y718-T722 HydrophobicContact CD2-CG2 3.94Å; Y718-T722 HydrophobicContact CE2-CG2 3.7Å; Y718-T722 WeakPolarHBondContact CE2-OG1 3.31Å; Y718-T722 VanDerWaalsContact CZ-OG1 3.29Å; Y718-T722 WeakPolarHBondContact O-CB 3.47Å; Y718-T722 WeakPolarHBondContact O-CG2 3.44Å; Y718-T722 PolarHBondContact O-N 3.11Å; Y718-T722 PolarHBondContact O-OG1 2.99Å; Y718-S724 WeakPolarHBondContact OH-CB 3.47Å; Y718-K725 PolarHBondContact OH-O 2.89Å; Y718-C726 HydrophobicContact CD1-CB 3.97Å; Y718-C726 HydrophobicContact CE1-CB 3.74Å; Y718-I794 HydrophobicContact CE2-CG2 4.37Å; Y718-I794 PolarHBondContact OH-O 2.88Å; Y718-C796 HydrophobicContact CD1-CB 4.21Å; Y718-C796 HydrophobicContact CD2-CB 3.89Å; Y718-C796 HydrophobicContact CE1-CB 3.69Å; Y718-C796 HydrophobicContact CE2-CB 3.31Å; Y718-C796 HydrophobicContact CG-CB 4.3Å; Y718-C796 WeakPolarHBondContact OH-CB 3.38Å; Y718-M798 HydrophobicContact CD1-CE 4.46Å; Y718-M798 HydrophobicContact CG-CE 4.1Å; Y718-I851 HydrophobicContact CD2-CG2 4.49Å; Y718-I851 HydrophobicContact CE2-CG2 4.21Å; Y718-L889 HydrophobicContact CD2-CD1 4.09Å; Y718-L889 HydrophobicContact CD2-CD2 3.8Å; Y718-L889 HydrophobicContact CE2-CD2 4.25Å |
| 719 | T | 91.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.8 | -39.6 | -176.2 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | I715 I716 I721 S723 F749 Y752 I776 | I715-T719 HydrophobicContact CG2-CG2 4.21Å; I715-T719 WeakPolarHBondContact O-CB 3.28Å; I715-T719 WeakPolarHBondContact O-CG2 3.45Å; I715-T719 PolarHBondContact O-N 3.33Å; I715-T719 PolarHBondContact O-OG1 3.17Å; I716-T719 PolarHBondContact O-N 2.84Å; I716-T719 PolarHBondContact O-OG1 3.05Å; I716-T719 VanDerWaalsContact O-OG1 3.12Å; T719-I721 PolarHBondContact O-N 3.37Å; T719-S723 WeakPolarHBondContact O-CA 3.23Å; T719-S723 PolarHBondContact O-N 3.12Å; T719-F749 HydrophobicContact CG2-CE1 4.06Å; T719-F749 WeakPolarHBondContact OG1-CE1 3.45Å; T719-Y752 WeakPolarHBondContact CB-OH 3.41Å; T719-Y752 HydrophobicContact CG2-CE1 3.89Å; T719-Y752 HydrophobicContact CG2-CE2 4.4Å; T719-Y752 PolarHBondContact O-OH 3.28Å; T719-I776 HydrophobicContact CG2-CD1 4.17Å; T719-I776 HydrophobicContact CG2-CG1 4.4Å |
| 720 | T | 90 | Very high | 91.3 | Very high | 91 Ų | 91 | 18.9 Ų | 18.9 | 56% | 0.558 | 12% | 0.115 | S | C | * | . | H | α-helix | trans | -60.1 | -42.1 | 175.6 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | I716 | I716-T720 WeakPolarHBondContact O-CB 3.23Å; I716-T720 PolarHBondContact O-N 3.4Å; I716-T720 PolarHBondContact O-OG1 3.48Å |
| 721 | I | 89.8 | Confident | 90.6 | Very high | 20 Ų | 20 | 19.2 Ų | 19.2 | 10% | 0.103 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -79.3 | -40.3 | -177.8 | -68.6 | 172.2 | 0 | 0 | 0 | 112 | E717 Y718 T719 L889 R890 Q893 | E717-I721 HydrophobicContact CG-CD1 4.17Å; E717-I721 WeakPolarHBondContact O-CG1 3.45Å; E717-I721 PolarHBondContact O-N 3.42Å; E717-I721 VanDerWaalsContact OE1-CD1 3.27Å; E717-I721 WeakPolarHBondContact OE1-CD1 3.28Å; Y718-I721 PolarHBondContact O-N 3.05Å; T719-I721 PolarHBondContact O-N 3.37Å; I721-L889 HydrophobicContact CB-CD1 4.45Å; I721-L889 HydrophobicContact CD1-CB 4.26Å; I721-L889 HydrophobicContact CD1-CD1 4.11Å; I721-L889 HydrophobicContact CG2-CB 3.91Å; I721-R890 HydrophobicContact CD1-CG 4.37Å; I721-R890 HydrophobicContact CG2-CG 4.05Å; I721-Q893 PolarHBondContact O-NE2 3.04Å; I721-Q893 PolarHBondContact O-OE1 2.69Å |
| 722 | T | 88.2 | Confident | 89.9 | Confident | 11 Ų | 11 | 19.9 Ų | 19.9 | 7% | 0.067 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -102 | -20.9 | -165.9 | 67.4 | 0 | 0 | 0 | 0 | 114.2 | Y718 S724 I794 L889 | Y718-T722 HydrophobicContact CD2-CG2 3.94Å; Y718-T722 HydrophobicContact CE2-CG2 3.7Å; Y718-T722 WeakPolarHBondContact CE2-OG1 3.31Å; Y718-T722 VanDerWaalsContact CZ-OG1 3.29Å; Y718-T722 WeakPolarHBondContact O-CB 3.47Å; Y718-T722 WeakPolarHBondContact O-CG2 3.44Å; Y718-T722 PolarHBondContact O-N 3.11Å; Y718-T722 PolarHBondContact O-OG1 2.99Å; T722-S724 PolarHBondContact O-N 3.16Å; T722-S724 PolarHBondContact O-OG 3.45Å; T722-S724 PolarHBondContact OG1-N 3.4Å; T722-I794 HydrophobicContact CG2-CD1 3.95Å; T722-L889 HydrophobicContact CG2-CD2 4.28Å |
| 723 | S | 86.6 | Confident | 89.3 | Confident | 69 Ų | 69 | 21 Ų | 21 | 48% | 0.483 | 13% | 0.125 | S | C | . | . | trans | 45.1 | 33.6 | -170.8 | -52.4 | 0 | 0 | 0 | 0 | 112.8 | T719 Y752 | T719-S723 WeakPolarHBondContact O-CA 3.23Å; T719-S723 PolarHBondContact O-N 3.12Å; S723-Y752 VanDerWaalsContact C-OH 3.22Å; S723-Y752 VanDerWaalsContact CA-OH 3.23Å; S723-Y752 WeakPolarHBondContact CA-OH 3.22Å | ||
| 724 | S | 87 | Confident | 88.7 | Confident | 15 Ų | 15 | 24 Ų | 24 | 11% | 0.105 | 13% | 0.131 | C | C | . | . | trans | -115.1 | 168.7 | -172.6 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | Y718 T722 Y752 | Y718-S724 WeakPolarHBondContact OH-CB 3.47Å; T722-S724 PolarHBondContact O-N 3.16Å; T722-S724 PolarHBondContact O-OG 3.45Å; T722-S724 PolarHBondContact OG1-N 3.4Å; S724-Y752 PolarHBondContact N-OH 3Å; S724-Y752 PolarHBondContact O-OH 3.34Å | ||
| 725 | K | 88.2 | Confident | 88.3 | Confident | 6 Ų | 6 | 23.9 Ų | 23.9 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | trans | -70.2 | 144.8 | 177.9 | -45.8 | -174.5 | -160 | -158.1 | 0 | 112.7 | Y718 F769 N770 F772 D773 A775 F789 Q790 A791 | Y718-K725 PolarHBondContact OH-O 2.89Å; K725-F769 HydrophobicContact CB-CE1 4.33Å; K725-F769 HydrophobicContact CB-CE2 3.85Å; K725-F769 HydrophobicContact CB-CZ 3.55Å; K725-F769 HydrophobicContact CD-CD1 4.47Å; K725-F769 HydrophobicContact CD-CE1 4.07Å; K725-F769 HydrophobicContact CD-CE2 4.36Å; K725-F769 HydrophobicContact CD-CZ 4.03Å; K725-F769 WeakPolarHBondContact CD-O 3.45Å; K725-F769 HydrophobicContact CG-CZ 4.4Å; K725-F769 PolarHBondContact NZ-O 2.89Å; K725-N770 PolarHBondContact NZ-O 2.96Å; K725-F772 VanDerWaalsContact CD-O 3.27Å; K725-F772 WeakPolarHBondContact CD-O 3.48Å; K725-F772 WeakPolarHBondContact CE-O 3.2Å; K725-F772 PolarHBondContact NZ-O 3Å; K725-D773 WeakPolarHBondContact CG-O 3.49Å; K725-A775 CarbonylContact C-O 3.52Å; K725-A775 WeakPolarHBondContact CA-O 3.33Å; K725-F789 HydrophobicContact CB-CE1 4.27Å; K725-F789 HydrophobicContact CB-CZ 4.24Å; K725-Q790 WeakPolarHBondContact CE-O 3.39Å; K725-Q790 PolarHBondContact NZ-O 2.95Å; K725-A791 HydrophobicContact CD-CB 4.23Å; K725-A791 HydrophobicContact CG-CB 4.41Å | ||
| 726 | C | 90.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137.4 | 177.4 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | Y718 A775 I776 L777 | Y718-C726 HydrophobicContact CD1-CB 3.97Å; Y718-C726 HydrophobicContact CE1-CB 3.74Å; C726-A775 PolarHBondContact N-O 3.29Å; C726-I776 HydrophobicContact CB-CG1 4.45Å; C726-I776 CarbonylContact O-C 3.54Å; C726-I776 WeakPolarHBondContact O-CA 3.38Å; C726-L777 PolarHBondContact O-N 3.4Å |
| 727 | L | 89.2 | Confident | 87.9 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.6 | 167.8 | 170.4 | 63.6 | 0 | 0 | 0 | 109 | L729 L777 F787 F789 C796 V797 M798 | L727-L729 HydrophobicContact CD1-CD2 3.86Å; L727-L729 HydrophobicContact CD1-CG 4.49Å; L727-L729 HydrophobicContact CD2-CD1 4.42Å; L727-L729 HydrophobicContact CD2-CD2 3.98Å; L727-L729 HydrophobicContact CD2-CG 4.25Å; L727-L729 HydrophobicContact CG-CD2 3.93Å; L727-L729 HydrophobicContact CG-CG 4.1Å; L727-L777 CarbonylContact C-O 3.51Å; L727-L777 WeakPolarHBondContact CA-O 3.45Å; L727-L777 HydrophobicContact CD1-CB 4.06Å; L727-L777 HydrophobicContact CD1-CD2 3.96Å; L727-L777 HydrophobicContact CD1-CG 3.79Å; L727-L777 WeakPolarHBondContact CD1-O 2.91Å; L727-F787 HydrophobicContact CD2-CD1 3.58Å; L727-F787 HydrophobicContact CD2-CE1 3.5Å; L727-F787 HydrophobicContact CD2-CG 4.42Å; L727-F787 HydrophobicContact CD2-CZ 4.31Å; L727-F787 HydrophobicContact CG-CE1 4.38Å; L727-F789 HydrophobicContact CB-CD2 4.12Å; L727-F789 HydrophobicContact CB-CE2 3.67Å; L727-F789 HydrophobicContact CD2-CD2 4.41Å; L727-C796 PolarHBondContact N-O 3.44Å; L727-V797 HydrophobicContact CB-CG2 4Å; L727-V797 HydrophobicContact CD2-CG2 3.81Å; L727-V797 HydrophobicContact CG-CG2 4.2Å; L727-V797 CarbonylContact O-C 3.58Å; L727-V797 VanDerWaalsContact O-CA 3.27Å; L727-V797 WeakPolarHBondContact O-CA 3.43Å; L727-M798 PolarHBondContact O-N 2.87Å |
| 728 | V | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.5 | 177.5 | -167.3 | 0 | 0 | 0 | 0 | 108.9 | I711 I715 F730 I776 L777 L778 G779 M798 | I711-V728 HydrophobicContact CG2-CG1 4.24Å; I715-V728 HydrophobicContact CD1-CG2 3.81Å; I715-V728 HydrophobicContact CG1-CG2 4.16Å; V728-F730 HydrophobicContact CB-CE2 3.8Å; V728-F730 HydrophobicContact CB-CZ 4.09Å; V728-F730 HydrophobicContact CG1-CD2 4.36Å; V728-F730 HydrophobicContact CG1-CE1 4.1Å; V728-F730 HydrophobicContact CG1-CE2 3.47Å; V728-F730 VanDerWaalsContact CG1-CE2 3.47Å; V728-F730 HydrophobicContact CG1-CZ 3.32Å; V728-I776 HydrophobicContact CG2-CG2 4.39Å; V728-L777 PolarHBondContact N-O 3.4Å; V728-L778 HydrophobicContact CB-CD2 3.79Å; V728-L778 HydrophobicContact CG2-CD2 3.91Å; V728-G779 PolarHBondContact O-N 3.33Å; V728-M798 CarbonylContact C-O 3.3Å; V728-M798 WeakPolarHBondContact CA-O 3.34Å; V728-M798 HydrophobicContact CB-CB 4.45Å; V728-M798 HydrophobicContact CG1-CB 4.07Å; V728-M798 HydrophobicContact CG2-CB 4.27Å |
| 729 | L | 89.2 | Confident | 87.8 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124 | -172.7 | -63.5 | 176.7 | 0 | 0 | 0 | 111.2 | L727 G779 F783 F784 V797 M798 I799 A800 | L727-L729 HydrophobicContact CD1-CD2 3.86Å; L727-L729 HydrophobicContact CD1-CG 4.49Å; L727-L729 HydrophobicContact CD2-CD1 4.42Å; L727-L729 HydrophobicContact CD2-CD2 3.98Å; L727-L729 HydrophobicContact CD2-CG 4.25Å; L727-L729 HydrophobicContact CG-CD2 3.93Å; L727-L729 HydrophobicContact CG-CG 4.1Å; L729-G779 CarbonylContact C-O 3.59Å; L729-G779 WeakPolarHBondContact CA-O 3.39Å; L729-F783 HydrophobicContact CD2-CB 3.52Å; L729-F784 HydrophobicContact CB-CD2 4.35Å; L729-F784 HydrophobicContact CB-CE2 3.61Å; L729-F784 HydrophobicContact CB-CZ 3.86Å; L729-F784 HydrophobicContact CD1-CD1 4.02Å; L729-F784 HydrophobicContact CD1-CD2 3.82Å; L729-F784 HydrophobicContact CD1-CE1 3.84Å; L729-F784 HydrophobicContact CD1-CE2 3.69Å; L729-F784 HydrophobicContact CD1-CG 4.02Å; L729-F784 HydrophobicContact CD1-CZ 3.69Å; L729-F784 HydrophobicContact CD2-CD2 4.38Å; L729-F784 HydrophobicContact CD2-CE2 4.46Å; L729-F784 HydrophobicContact CG-CD2 4.42Å; L729-F784 HydrophobicContact CG-CE2 4.12Å; L729-F784 HydrophobicContact CG-CZ 4.4Å; L729-V797 HydrophobicContact CD1-CG1 3.67Å; L729-V797 HydrophobicContact CG-CG1 4.19Å; L729-M798 PolarHBondContact N-O 2.74Å; L729-I799 HydrophobicContact CD1-CG1 4.47Å; L729-A800 WeakPolarHBondContact O-CB 3.28Å; L729-A800 PolarHBondContact O-N 3.26Å |
| 730 | F | 87 | Confident | 87.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -115.9 | 154.6 | -177.9 | -59 | -86.4 | 0 | 0 | 0 | 111.7 | I711 V728 M735 M736 V739 L778 G779 T780 S781 A800 | I711-F730 HydrophobicContact CD1-CE1 4.31Å; V728-F730 HydrophobicContact CB-CE2 3.8Å; V728-F730 HydrophobicContact CB-CZ 4.09Å; V728-F730 HydrophobicContact CG1-CD2 4.36Å; V728-F730 HydrophobicContact CG1-CE1 4.1Å; V728-F730 HydrophobicContact CG1-CE2 3.47Å; V728-F730 VanDerWaalsContact CG1-CE2 3.47Å; V728-F730 HydrophobicContact CG1-CZ 3.32Å; F730-M735 HydrophobicContact CD1-CB 4.11Å; F730-M735 HydrophobicContact CD1-CG 3.72Å; F730-M735 HydrophobicContact CD1-SD 3.74Å; F730-M735 HydrophobicContact CE1-CG 3.92Å; F730-M735 HydrophobicContact CE1-SD 4.14Å; F730-M736 HydrophobicContact CB-CB 4.16Å; F730-M736 HydrophobicContact CD2-CB 3.69Å; F730-M736 HydrophobicContact CD2-CG 3.62Å; F730-M736 HydrophobicContact CD2-SD 4.45Å; F730-M736 HydrophobicContact CE2-CB 4.19Å; F730-M736 HydrophobicContact CE2-CG 3.93Å; F730-M736 HydrophobicContact CG-CB 3.87Å; F730-M736 HydrophobicContact CG-CG 4.32Å; F730-V739 HydrophobicContact CE1-CB 4.34Å; F730-V739 HydrophobicContact CE1-CG2 3.72Å; F730-V739 HydrophobicContact CZ-CB 3.87Å; F730-V739 HydrophobicContact CZ-CG1 4.04Å; F730-V739 HydrophobicContact CZ-CG2 3.7Å; F730-L778 HydrophobicContact CE2-CB 4.11Å; F730-L778 HydrophobicContact CE2-CD2 4.04Å; F730-L778 HydrophobicContact CZ-CD2 4.48Å; F730-G779 PolarHBondContact N-O 2.87Å; F730-T780 CarbonylContact O-C 3.34Å; F730-T780 WeakPolarHBondContact O-CA 3.33Å; F730-S781 PolarHBondContact O-N 2.71Å; F730-A800 HydrophobicContact CD1-CB 3.66Å; F730-A800 HydrophobicContact CE1-CB 3.95Å; F730-A800 HydrophobicContact CG-CB 4.45Å | ||
| 731 | T | 78.9 | Confident | 88 | Confident | 31 Ų | 31 | 26.5 Ų | 26.5 | 19% | 0.19 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -92.8 | -12.4 | 170.1 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | K801 | T731-K801 HydrophobicContact CG2-CB 3.78Å; T731-K801 HydrophobicContact CG2-CD 4.26Å; T731-K801 HydrophobicContact CG2-CG 4.15Å; T731-K801 WeakPolarHBondContact OG1-CD 3.29Å |
| 732 | S | 78.8 | Confident | 88.1 | Confident | 14 Ų | 14 | 28.8 Ų | 28.8 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | trans | -139.4 | 144.5 | 179.9 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | K734 M736 | S732-K734 VanDerWaalsContact C-N 3.3Å; S732-K734 PolarHBondContact O-N 2.7Å; S732-M736 PolarHBondContact O-N 2.8Å | ||
| 733 | Y | 81.4 | Confident | 88.3 | Confident | 30 Ų | 30 | 28.3 Ų | 28.3 | 12% | 0.118 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.2 | -33.3 | 175.4 | -72.4 | -94 | 0 | 0 | 0 | 112.1 | D542 I543 M735 M736 H737 T780 | D542-Y733 WeakPolarHBondContact O-CD2 3.42Å; D542-Y733 WeakPolarHBondContact O-CE2 3.44Å; I543-Y733 VanDerWaalsContact O-CE2 3.26Å; I543-Y733 WeakPolarHBondContact O-CE2 3.36Å; Y733-M735 PolarHBondContact O-N 3.22Å; Y733-M736 HydrophobicContact CD1-CE 3.38Å; Y733-M736 HydrophobicContact CE1-CE 3.92Å; Y733-M736 HydrophobicContact CG-CE 4.26Å; Y733-M736 WeakPolarHBondContact O-CB 3.31Å; Y733-M736 PolarHBondContact O-N 2.89Å; Y733-H737 PolarHBondContact O-CD2 2.9Å; Y733-H737 PolarHBondContact O-N 3.39Å; Y733-T780 HydrophobicContact CD1-CG2 4.11Å; Y733-T780 HydrophobicContact CD2-CG2 4.12Å; Y733-T780 HydrophobicContact CE1-CG2 3.86Å; Y733-T780 HydrophobicContact CE2-CG2 3.91Å; Y733-T780 HydrophobicContact CG-CG2 4.23Å |
| 734 | K | 83.3 | Confident | 88.4 | Confident | 117 Ų | 117 | 29.6 Ų | 29.6 | 51% | 0.509 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -55 | -52.1 | 178.7 | -176.9 | -178.9 | 177.9 | -178.3 | 0 | 111.2 | S732 M736 H737 M738 | S732-K734 VanDerWaalsContact C-N 3.3Å; S732-K734 PolarHBondContact O-N 2.7Å; K734-M736 PolarHBondContact O-N 2.52Å; K734-H737 PolarHBondContact O-N 3.01Å; K734-M738 HydrophobicContact CG-SD 4.24Å; K734-M738 VanDerWaalsContact O-CG 3.26Å; K734-M738 WeakPolarHBondContact O-CG 3.18Å; K734-M738 PolarHBondContact O-N 3.03Å |
| 735 | M | 87.5 | Confident | 88.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -39.4 | 179.4 | -172.7 | -176.9 | -72.7 | 0 | 0 | 111.9 | Y699 I704 Y707 V708 I711 F730 Y733 H737 M738 V739 A800 | Y699-M735 HydrophobicContact CD2-CE 3.72Å; Y699-M735 HydrophobicContact CE2-CE 3.3Å; I704-M735 HydrophobicContact CD1-CB 4.43Å; I704-M735 HydrophobicContact CD1-CE 4Å; I704-M735 HydrophobicContact CG1-CE 4.13Å; Y707-M735 HydrophobicContact CD1-CE 3.87Å; Y707-M735 HydrophobicContact CD1-SD 4.23Å; Y707-M735 HydrophobicContact CE1-CE 4.19Å; Y707-M735 HydrophobicContact CE1-SD 4.33Å; V708-M735 HydrophobicContact CG2-CG 3.87Å; I711-M735 HydrophobicContact CD1-SD 4.14Å; F730-M735 HydrophobicContact CD1-CB 4.11Å; F730-M735 HydrophobicContact CD1-CG 3.72Å; F730-M735 HydrophobicContact CD1-SD 3.74Å; F730-M735 HydrophobicContact CE1-CG 3.92Å; F730-M735 HydrophobicContact CE1-SD 4.14Å; Y733-M735 PolarHBondContact O-N 3.22Å; M735-H737 PolarHBondContact O-N 3.41Å; M735-M738 PolarHBondContact O-N 3.31Å; M735-V739 PolarHBondContact O-N 2.95Å; M735-A800 HydrophobicContact SD-CB 3.98Å |
| 736 | M | 90.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 177.2 | -172.5 | -178.6 | 67.1 | 0 | 0 | 111.9 | F730 S732 Y733 K734 V739 Q740 T756 Q757 L778 T780 | F730-M736 HydrophobicContact CB-CB 4.16Å; F730-M736 HydrophobicContact CD2-CB 3.69Å; F730-M736 HydrophobicContact CD2-CG 3.62Å; F730-M736 HydrophobicContact CD2-SD 4.45Å; F730-M736 HydrophobicContact CE2-CB 4.19Å; F730-M736 HydrophobicContact CE2-CG 3.93Å; F730-M736 HydrophobicContact CG-CB 3.87Å; F730-M736 HydrophobicContact CG-CG 4.32Å; S732-M736 PolarHBondContact O-N 2.8Å; Y733-M736 HydrophobicContact CD1-CE 3.38Å; Y733-M736 HydrophobicContact CE1-CE 3.92Å; Y733-M736 HydrophobicContact CG-CE 4.26Å; Y733-M736 WeakPolarHBondContact O-CB 3.31Å; Y733-M736 PolarHBondContact O-N 2.89Å; K734-M736 PolarHBondContact O-N 2.52Å; M736-V739 PolarHBondContact O-N 3.37Å; M736-Q740 WeakPolarHBondContact O-CB 3.39Å; M736-Q740 PolarHBondContact O-N 3.3Å; M736-T756 HydrophobicContact CE-CG2 3.42Å; M736-T756 VanDerWaalsContact CE-CG2 3.42Å; M736-T756 HydrophobicContact CG-CG2 4.09Å; M736-T756 HydrophobicContact SD-CG2 3.83Å; M736-Q757 HydrophobicContact CE-CB 4.44Å; M736-Q757 HydrophobicContact SD-CB 4.29Å; M736-L778 HydrophobicContact CG-CB 3.71Å; M736-L778 HydrophobicContact SD-CB 4.21Å; M736-T780 HydrophobicContact CE-CG2 4.37Å; M736-T780 HydrophobicContact SD-CG2 4.09Å |
| 737 | H | 90 | Very high | 88.3 | Confident | 61 Ų | 61 | 43 Ų | 43 | 28% | 0.282 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.7 | -38.6 | 177.2 | -70.3 | -52.9 | 0 | 0 | 0 | 112.2 | Y733 K734 M735 V739 Q740 D741 | Y733-H737 PolarHBondContact O-CD2 2.9Å; Y733-H737 PolarHBondContact O-N 3.39Å; K734-H737 PolarHBondContact O-N 3.01Å; M735-H737 PolarHBondContact O-N 3.41Å; H737-V739 VanDerWaalsContact C-N 3.3Å; H737-V739 PolarHBondContact O-N 3.42Å; H737-Q740 PolarHBondContact ND1-OE1 2.89Å; H737-Q740 WeakPolarHBondContact O-CB 3.48Å; H737-Q740 PolarHBondContact O-N 3.12Å; H737-Q740 VanDerWaalsContact O-N 3.11Å; H737-D741 PolarHBondContact O-N 3.45Å |
| 738 | M | 91.3 | Very high | 87.9 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 19% | 0.192 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 173.9 | -68.2 | 173.5 | 68.9 | 0 | 0 | 112.3 | I704 D705 V708 K734 M735 M742 | I704-M738 HydrophobicContact CD1-SD 4.28Å; I704-M738 HydrophobicContact CG1-SD 4.36Å; I704-M738 HydrophobicContact CG2-CE 3.96Å; I704-M738 HydrophobicContact CG2-SD 4.22Å; D705-M738 WeakPolarHBondContact OD1-CE 3.3Å; V708-M738 HydrophobicContact CG1-CB 4.03Å; V708-M738 HydrophobicContact CG2-CB 4.15Å; V708-M738 HydrophobicContact CG2-CE 4.07Å; V708-M738 HydrophobicContact CG2-SD 4.39Å; K734-M738 HydrophobicContact CG-SD 4.24Å; K734-M738 VanDerWaalsContact O-CG 3.26Å; K734-M738 WeakPolarHBondContact O-CG 3.18Å; K734-M738 PolarHBondContact O-N 3.03Å; M735-M738 PolarHBondContact O-N 3.31Å; M738-M742 PolarHBondContact O-N 3.15Å |
| 739 | V | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 173 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | V708 I711 V712 I715 F730 M735 M736 H737 D741 M742 L743 L778 | V708-V739 HydrophobicContact CG1-CG2 3.8Å; V708-V739 HydrophobicContact CG2-CG2 4.49Å; I711-V739 HydrophobicContact CG2-CG2 4.28Å; V712-V739 HydrophobicContact CG2-CG1 4.13Å; V712-V739 HydrophobicContact CG2-CG2 4.43Å; I715-V739 HydrophobicContact CD1-CG1 4.04Å; F730-V739 HydrophobicContact CE1-CB 4.34Å; F730-V739 HydrophobicContact CE1-CG2 3.72Å; F730-V739 HydrophobicContact CZ-CB 3.87Å; F730-V739 HydrophobicContact CZ-CG1 4.04Å; F730-V739 HydrophobicContact CZ-CG2 3.7Å; M735-V739 PolarHBondContact O-N 2.95Å; M736-V739 PolarHBondContact O-N 3.37Å; H737-V739 VanDerWaalsContact C-N 3.3Å; H737-V739 PolarHBondContact O-N 3.42Å; V739-D741 PolarHBondContact O-N 2.65Å; V739-M742 PolarHBondContact O-N 3.16Å; V739-L743 HydrophobicContact CG1-CD1 3.81Å; V739-L743 HydrophobicContact CG1-CG 4.05Å; V739-L743 WeakPolarHBondContact O-CB 3.49Å; V739-L743 VanDerWaalsContact O-CG 3.26Å; V739-L743 WeakPolarHBondContact O-CG 3.17Å; V739-L743 PolarHBondContact O-N 2.86Å; V739-L778 HydrophobicContact CG1-CD1 4.25Å; V739-L778 HydrophobicContact CG1-CD2 4.18Å |
| 740 | Q | 92.7 | Very high | 87.2 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56 | -49.2 | 177.2 | -178.8 | -178.3 | 13.6 | 0 | 0 | 112 | M736 H737 M742 L743 N744 T756 L778 | M736-Q740 WeakPolarHBondContact O-CB 3.39Å; M736-Q740 PolarHBondContact O-N 3.3Å; H737-Q740 PolarHBondContact ND1-OE1 2.89Å; H737-Q740 WeakPolarHBondContact O-CB 3.48Å; H737-Q740 PolarHBondContact O-N 3.12Å; H737-Q740 VanDerWaalsContact O-N 3.11Å; Q740-M742 PolarHBondContact O-N 2.92Å; Q740-L743 PolarHBondContact O-N 2.92Å; Q740-N744 VanDerWaalsContact O-CG 3.28Å; Q740-N744 PolarHBondContact O-N 2.96Å; Q740-N744 PolarHBondContact O-ND2 3.41Å; Q740-T756 PolarHBondContact NE2-OG1 2.93Å; Q740-T756 VanDerWaalsContact NE2-OG1 3.1Å; Q740-T756 PolarHBondContact OE1-OG1 3.23Å; Q740-L778 HydrophobicContact CB-CD1 3.7Å; Q740-L778 HydrophobicContact CG-CD1 4.39Å |
| 741 | D | 91.8 | Very high | 87 | Confident | 91 Ų | 91 | 61.4 Ų | 61.4 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | -178.7 | -64.7 | -22.1 | 0 | 0 | 0 | 110.1 | H737 V739 L743 N744 E745 | H737-D741 PolarHBondContact O-N 3.45Å; V739-D741 PolarHBondContact O-N 2.65Å; D741-L743 PolarHBondContact O-N 3.4Å; D741-N744 PolarHBondContact O-N 3Å; D741-E745 WeakPolarHBondContact O-CG 3.27Å; D741-E745 PolarHBondContact O-N 3.17Å |
| 742 | M | 92.7 | Very high | 87.5 | Confident | 69 Ų | 69 | 61 Ų | 61 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 175.1 | -75.8 | -170.9 | 161.9 | 0 | 0 | 113.4 | V708 V712 M738 V739 Q740 N744 E745 L746 | V708-M742 HydrophobicContact CG1-SD 3.67Å; V712-M742 HydrophobicContact CG2-CB 3.94Å; V712-M742 HydrophobicContact CG2-SD 4.07Å; M738-M742 PolarHBondContact O-N 3.15Å; V739-M742 PolarHBondContact O-N 3.16Å; Q740-M742 PolarHBondContact O-N 2.92Å; M742-N744 VanDerWaalsContact C-N 3.35Å; M742-E745 PolarHBondContact O-N 3.41Å; M742-L746 WeakPolarHBondContact O-CD1 3.49Å; M742-L746 VanDerWaalsContact O-CG 3.25Å; M742-L746 WeakPolarHBondContact O-CG 3.45Å |
| 743 | L | 92.3 | Very high | 88 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 178.9 | -70.2 | 177.6 | 0 | 0 | 0 | 112.1 | V712 I715 V739 Q740 D741 E745 L746 F749 V754 I776 L778 | V712-L743 HydrophobicContact CG1-CD2 4.27Å; I715-L743 HydrophobicContact CD1-CD1 4.35Å; I715-L743 HydrophobicContact CD1-CD2 4.36Å; I715-L743 HydrophobicContact CG2-CD2 4.04Å; V739-L743 HydrophobicContact CG1-CD1 3.81Å; V739-L743 HydrophobicContact CG1-CG 4.05Å; V739-L743 WeakPolarHBondContact O-CB 3.49Å; V739-L743 VanDerWaalsContact O-CG 3.26Å; V739-L743 WeakPolarHBondContact O-CG 3.17Å; V739-L743 PolarHBondContact O-N 2.86Å; Q740-L743 PolarHBondContact O-N 2.92Å; D741-L743 PolarHBondContact O-N 3.4Å; L743-E745 VanDerWaalsContact C-N 3.31Å; L743-E745 PolarHBondContact O-N 2.91Å; L743-L746 PolarHBondContact O-N 2.86Å; L743-F749 HydrophobicContact CB-CD2 4.38Å; L743-F749 HydrophobicContact CD2-CD2 3.79Å; L743-F749 HydrophobicContact CD2-CE1 4.19Å; L743-F749 HydrophobicContact CD2-CE2 3.24Å; L743-F749 HydrophobicContact CD2-CG 4.46Å; L743-F749 HydrophobicContact CD2-CZ 3.47Å; L743-F749 VanDerWaalsContact CD2-CZ 3.47Å; L743-F749 HydrophobicContact CG-CE2 4.5Å; L743-F749 WeakPolarHBondContact O-CD2 3.43Å; L743-V754 HydrophobicContact CB-CG1 4.49Å; L743-V754 HydrophobicContact CB-CG2 4.3Å; L743-V754 HydrophobicContact CD1-CG1 4.21Å; L743-I776 HydrophobicContact CD1-CD1 4.39Å; L743-I776 HydrophobicContact CD1-CG2 4.09Å; L743-L778 HydrophobicContact CD1-CD1 4.18Å; L743-L778 HydrophobicContact CD1-CD2 4.07Å |
| 744 | N | 88.6 | Confident | 88.5 | Confident | 96 Ų | 96 | 62.6 Ų | 62.6 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.9 | -23.8 | -180 | -71.1 | -22.6 | 0 | 0 | 0 | 113.2 | Q740 D741 M742 | Q740-N744 VanDerWaalsContact O-CG 3.28Å; Q740-N744 PolarHBondContact O-N 2.96Å; Q740-N744 PolarHBondContact O-ND2 3.41Å; D741-N744 PolarHBondContact O-N 3Å; M742-N744 VanDerWaalsContact C-N 3.35Å |
| 745 | E | 89.3 | Confident | 88.8 | Confident | 163 Ų | 163 | 57.9 Ų | 57.9 | 76% | 0.762 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -85.1 | -12.9 | 178 | -71.1 | -178.9 | 177.3 | 0 | 0 | 113.4 | D741 M742 L743 | D741-E745 WeakPolarHBondContact O-CG 3.27Å; D741-E745 PolarHBondContact O-N 3.17Å; M742-E745 PolarHBondContact O-N 3.41Å; L743-E745 VanDerWaalsContact C-N 3.31Å; L743-E745 PolarHBondContact O-N 2.91Å |
| 746 | L | 89.4 | Confident | 88.8 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | trans | -94.9 | 124.7 | -172.3 | -77.7 | 171.3 | 0 | 0 | 0 | 112.2 | V712 I716 M742 L743 E748 F749 | V712-L746 HydrophobicContact CG1-CD1 3.54Å; I716-L746 HydrophobicContact CD1-CD1 3.83Å; I716-L746 HydrophobicContact CG1-CD1 4.48Å; M742-L746 WeakPolarHBondContact O-CD1 3.49Å; M742-L746 VanDerWaalsContact O-CG 3.25Å; M742-L746 WeakPolarHBondContact O-CG 3.45Å; L743-L746 PolarHBondContact O-N 2.86Å; L746-E748 PolarHBondContact O-N 3.46Å; L746-F749 HydrophobicContact CB-CD2 3.79Å; L746-F749 HydrophobicContact CB-CE2 4.14Å; L746-F749 HydrophobicContact CD1-CD2 4.4Å; L746-F749 HydrophobicContact CD1-CE2 3.96Å; L746-F749 PolarHBondContact O-N 3.05Å; L746-F749 VanDerWaalsContact O-N 3.17Å | ||
| 747 | P | 84.2 | Confident | 88.4 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -64.5 | -23.3 | -176.6 | 25.2 | -33.3 | 0 | 0 | 0 | 113.5 | F749 E750 | P747-F749 PolarHBondContact O-N 3.4Å; P747-F749 VanDerWaalsContact O-N 3.07Å; P747-E750 PolarHBondContact O-N 3.01Å |
| 748 | E | 80.9 | Confident | 87.6 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -60.1 | -17.3 | 176.2 | -63.8 | 85.7 | 169.6 | 0 | 0 | 113.5 | I716 L746 | I716-E748 HydrophobicContact CG2-CG 4.48Å; L746-E748 PolarHBondContact O-N 3.46Å |
| 749 | F | 84.6 | Confident | 86.4 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -108.6 | 9.2 | -178.5 | -58.2 | -68.2 | 0 | 0 | 0 | 114.7 | I715 I716 T719 L743 L746 P747 D751 Y752 I776 | I715-F749 HydrophobicContact CG2-CE1 3.91Å; I715-F749 HydrophobicContact CG2-CZ 3.8Å; I716-F749 HydrophobicContact CB-CZ 4.38Å; I716-F749 HydrophobicContact CG1-CE2 3.7Å; I716-F749 HydrophobicContact CG1-CZ 3.56Å; T719-F749 HydrophobicContact CG2-CE1 4.06Å; T719-F749 WeakPolarHBondContact OG1-CE1 3.45Å; L743-F749 HydrophobicContact CB-CD2 4.38Å; L743-F749 HydrophobicContact CD2-CD2 3.79Å; L743-F749 HydrophobicContact CD2-CE1 4.19Å; L743-F749 HydrophobicContact CD2-CE2 3.24Å; L743-F749 HydrophobicContact CD2-CG 4.46Å; L743-F749 HydrophobicContact CD2-CZ 3.47Å; L743-F749 VanDerWaalsContact CD2-CZ 3.47Å; L743-F749 HydrophobicContact CG-CE2 4.5Å; L743-F749 WeakPolarHBondContact O-CD2 3.43Å; L746-F749 HydrophobicContact CB-CD2 3.79Å; L746-F749 HydrophobicContact CB-CE2 4.14Å; L746-F749 HydrophobicContact CD1-CD2 4.4Å; L746-F749 HydrophobicContact CD1-CE2 3.96Å; L746-F749 PolarHBondContact O-N 3.05Å; L746-F749 VanDerWaalsContact O-N 3.17Å; P747-F749 PolarHBondContact O-N 3.4Å; P747-F749 VanDerWaalsContact O-N 3.07Å; F749-D751 PolarHBondContact O-N 2.93Å; F749-Y752 HydrophobicContact CD1-CD2 4.27Å; F749-Y752 HydrophobicContact CD1-CG 4.28Å; F749-Y752 PolarHBondContact O-N 3.45Å; F749-I776 HydrophobicContact CD1-CD1 3.48Å; F749-I776 VanDerWaalsContact CD1-CD1 3.48Å; F749-I776 HydrophobicContact CE1-CD1 3.44Å; F749-I776 VanDerWaalsContact CE1-CD1 3.44Å; F749-I776 HydrophobicContact CG-CD1 4.4Å; F749-I776 HydrophobicContact CZ-CD1 4.35Å |
| 750 | E | 82.4 | Confident | 84.8 | Confident | 172 Ų | 172 | 71.7 Ų | 71.7 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -35.2 | 175.3 | -80.6 | -175.3 | 161.5 | 0 | 0 | 112.6 | P747 Y752 | P747-E750 PolarHBondContact O-N 3.01Å; E750-Y752 VanDerWaalsContact C-N 3.32Å; E750-Y752 PolarHBondContact O-N 3.21Å |
| 751 | D | 83.8 | Confident | 83.7 | Confident | 116 Ų | 116 | 73.8 Ų | 73.8 | 62% | 0.62 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -0.6 | 177.4 | -86.4 | 6.8 | 0 | 0 | 0 | 114.2 | F749 K774 | F749-D751 PolarHBondContact O-N 2.93Å; D751-K774 HydrophobicContact CB-CD 4.14Å; D751-K774 WeakPolarHBondContact O-CD 3.45Å; D751-K774 IonicContact OD2-NZ 2.66Å; D751-K774 PolarHBondContact OD2-NZ 3.49Å |
| 752 | Y | 89.2 | Confident | 82.7 | Confident | 22 Ų | 22 | 72 Ų | 72 | 9% | 0.086 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -112.8 | 134.1 | -173.8 | -90.4 | -93.7 | 0 | 0 | 0 | 111.7 | T719 S723 S724 F749 E750 V754 K774 I776 | T719-Y752 WeakPolarHBondContact CB-OH 3.41Å; T719-Y752 HydrophobicContact CG2-CE1 3.89Å; T719-Y752 HydrophobicContact CG2-CE2 4.4Å; T719-Y752 PolarHBondContact O-OH 3.28Å; S723-Y752 VanDerWaalsContact C-OH 3.22Å; S723-Y752 VanDerWaalsContact CA-OH 3.23Å; S723-Y752 WeakPolarHBondContact CA-OH 3.22Å; S724-Y752 PolarHBondContact N-OH 3Å; S724-Y752 PolarHBondContact O-OH 3.34Å; F749-Y752 HydrophobicContact CD1-CD2 4.27Å; F749-Y752 HydrophobicContact CD1-CG 4.28Å; F749-Y752 PolarHBondContact O-N 3.45Å; E750-Y752 VanDerWaalsContact C-N 3.32Å; E750-Y752 PolarHBondContact O-N 3.21Å; Y752-V754 PolarHBondContact O-N 2.84Å; Y752-K774 VanDerWaalsContact CD1-C 3.47Å; Y752-K774 HydrophobicContact CD1-CB 3.76Å; Y752-K774 HydrophobicContact CD2-CB 4.32Å; Y752-K774 HydrophobicContact CD2-CD 4.29Å; Y752-K774 HydrophobicContact CE1-CB 3.78Å; Y752-K774 HydrophobicContact CE1-CG 4.24Å; Y752-K774 HydrophobicContact CE2-CB 4.33Å; Y752-K774 HydrophobicContact CE2-CD 4.07Å; Y752-K774 HydrophobicContact CE2-CG 4.26Å; Y752-K774 HydrophobicContact CG-CB 4.04Å; Y752-I776 HydrophobicContact CD1-CD1 4.22Å; Y752-I776 HydrophobicContact CD1-CG1 3.93Å; Y752-I776 HydrophobicContact CE1-CG1 4.41Å |
| 753 | V | 88.5 | Confident | 81.7 | Confident | 49 Ų | 49 | 76.9 Ų | 76.9 | 30% | 0.297 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 108.8 | 169.8 | -173 | 0 | 0 | 0 | 0 | 109.2 | L755 F772 K774 A775 I776 | V753-L755 HydrophobicContact CG1-CD2 3.66Å; V753-L755 HydrophobicContact CG1-CG 3.89Å; V753-L755 PolarHBondContact O-N 3.25Å; V753-F772 HydrophobicContact CB-CD2 4.14Å; V753-F772 HydrophobicContact CB-CE2 4.5Å; V753-F772 HydrophobicContact CB-CG 4.35Å; V753-F772 HydrophobicContact CG1-CD2 4.13Å; V753-F772 HydrophobicContact CG1-CE2 4.1Å; V753-F772 HydrophobicContact CG2-CB 4.49Å; V753-F772 HydrophobicContact CG2-CD1 3.91Å; V753-F772 HydrophobicContact CG2-CD2 4Å; V753-F772 HydrophobicContact CG2-CE1 4.08Å; V753-F772 HydrophobicContact CG2-CE2 4.19Å; V753-F772 HydrophobicContact CG2-CG 3.88Å; V753-F772 HydrophobicContact CG2-CZ 4.23Å; V753-K774 PolarHBondContact N-O 3.36Å; V753-A775 HydrophobicContact CB-CB 4.45Å; V753-A775 CarbonylContact O-C 3.5Å; V753-A775 VanDerWaalsContact O-CA 3.28Å; V753-A775 WeakPolarHBondContact O-CA 3.4Å; V753-I776 PolarHBondContact O-N 3.33Å |
| 754 | V | 91.1 | Very high | 80.8 | Confident | 29 Ų | 29 | 82.8 Ų | 82.8 | 18% | 0.176 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 107.6 | 173.4 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | L743 Y752 L778 | L743-V754 HydrophobicContact CB-CG1 4.49Å; L743-V754 HydrophobicContact CB-CG2 4.3Å; L743-V754 HydrophobicContact CD1-CG1 4.21Å; Y752-V754 PolarHBondContact O-N 2.84Å; V754-L778 HydrophobicContact CG1-CD1 4.24Å |
| 755 | L | 89.5 | Confident | 80.4 | Confident | 18 Ų | 18 | 78.6 Ų | 78.6 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.1 | 178.5 | -61.1 | 173.7 | 0 | 0 | 0 | 109.4 | V753 I765 Q768 F769 I776 L777 L778 | V753-L755 HydrophobicContact CG1-CD2 3.66Å; V753-L755 HydrophobicContact CG1-CG 3.89Å; V753-L755 PolarHBondContact O-N 3.25Å; L755-I765 HydrophobicContact CB-CG2 4.13Å; L755-Q768 HydrophobicContact CD1-CB 3.89Å; L755-Q768 HydrophobicContact CD2-CB 4.45Å; L755-F769 HydrophobicContact CD1-CB 3.79Å; L755-I776 PolarHBondContact N-O 2.86Å; L755-L777 HydrophobicContact CB-CD1 3.95Å; L755-L777 CarbonylContact O-C 3.53Å; L755-L777 WeakPolarHBondContact O-CA 3.44Å; L755-L778 PolarHBondContact O-N 2.77Å |
| 756 | T | 88.4 | Confident | 79.9 | Confident | 14 Ų | 14 | 72 Ų | 72 | 9% | 0.086 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.2 | 176.7 | -58.8 | 0 | 0 | 0 | 0 | 109.8 | M736 Q740 Q758 I765 L778 | M736-T756 HydrophobicContact CE-CG2 3.42Å; M736-T756 VanDerWaalsContact CE-CG2 3.42Å; M736-T756 HydrophobicContact CG-CG2 4.09Å; M736-T756 HydrophobicContact SD-CG2 3.83Å; Q740-T756 PolarHBondContact NE2-OG1 2.93Å; Q740-T756 VanDerWaalsContact NE2-OG1 3.1Å; Q740-T756 PolarHBondContact OE1-OG1 3.23Å; T756-Q758 PolarHBondContact O-N 3.15Å; T756-I765 WeakPolarHBondContact O-CD1 3.37Å; T756-L778 HydrophobicContact CG2-CB 4.36Å |
| 757 | Q | 81.2 | Confident | 79.4 | Confident | 8 Ų | 8 | 73.6 Ų | 73.6 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | trans | -50.1 | 124.9 | 174.3 | 176.6 | 166.9 | 24.2 | 0 | 0 | 112.1 | M736 N762 L778 T780 T782 F783 | M736-Q757 HydrophobicContact CE-CB 4.44Å; M736-Q757 HydrophobicContact SD-CB 4.29Å; Q757-N762 PolarHBondContact NE2-ND2 3.23Å; Q757-N762 PolarHBondContact NE2-OD1 3.46Å; Q757-L778 PolarHBondContact N-O 2.9Å; Q757-T780 PolarHBondContact OE1-OG1 2.93Å; Q757-T782 PolarHBondContact NE2-OG1 2.9Å; Q757-T782 PolarHBondContact OE1-OG1 3.03Å; Q757-F783 HydrophobicContact CB-CD2 4.36Å; Q757-F783 HydrophobicContact CB-CE2 3.64Å; Q757-F783 HydrophobicContact CB-CZ 4.46Å; Q757-F783 HydrophobicContact CG-CD2 4.38Å; Q757-F783 HydrophobicContact CG-CE2 3.63Å | ||
| 758 | Q | 73.9 | Confident | 79.2 | Confident | 112 Ų | 112 | 73.8 Ų | 73.8 | 52% | 0.523 | 36% | 0.355 | S | S | . | . | trans | -113 | 149.2 | 168.3 | -58.4 | -167.8 | -1.4 | 0 | 0 | 110.7 | T756 N760 Q761 I765 | T756-Q758 PolarHBondContact O-N 3.15Å; Q758-N760 PolarHBondContact O-N 2.84Å; Q758-Q761 HydrophobicContact CB-CB 4.47Å; Q758-Q761 PolarHBondContact O-N 3.02Å; Q758-I765 HydrophobicContact CB-CD1 4.25Å; Q758-I765 HydrophobicContact CG-CD1 4.41Å | ||
| 759 | Q | 65.3 | Low | 79.4 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 134.1 | 178.2 | -72.2 | -169.9 | -10.4 | 0 | 0 | 110.9 | Q761 | Q759-Q761 PolarHBondContact O-N 3.25Å; Q759-Q761 VanDerWaalsContact O-N 3.15Å |
| 760 | N | 61.9 | Low | 79.3 | Confident | 165 Ų | 165 | 70.1 Ų | 70.1 | 88% | 0.882 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 11.3 | 177 | -55 | -39.5 | 0 | 0 | 0 | 116.7 | Q758 | Q758-N760 PolarHBondContact O-N 2.84Š|
| 761 | Q | 68.6 | Low | 79.3 | Confident | 87 Ų | 87 | 68.2 Ų | 68.2 | 41% | 0.407 | 34% | 0.335 | S | S | . | . | trans | -118.4 | 13.3 | 179 | -61.4 | -168 | 15.5 | 0 | 0 | 114.4 | Q758 Q759 Y763 K764 I765 | Q758-Q761 HydrophobicContact CB-CB 4.47Å; Q758-Q761 PolarHBondContact O-N 3.02Å; Q759-Q761 PolarHBondContact O-N 3.25Å; Q759-Q761 VanDerWaalsContact O-N 3.15Å; Q761-Y763 PolarHBondContact O-N 2.8Å; Q761-Y763 VanDerWaalsContact O-N 3.11Å; Q761-K764 PolarHBondContact O-N 3.16Å; Q761-K764 VanDerWaalsContact O-N 3.1Å; Q761-I765 HydrophobicContact CB-CD1 4.31Å; Q761-I765 PolarHBondContact O-N 3.23Å; Q761-I765 VanDerWaalsContact O-N 3.15Å | ||
| 762 | N | 70.4 | Confident | 79.3 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -50.1 | -44 | -175.9 | -66.3 | -4.7 | 0 | 0 | 0 | 112.4 | Q757 K764 I765 V766 F783 | Q757-N762 PolarHBondContact NE2-ND2 3.23Å; Q757-N762 PolarHBondContact NE2-OD1 3.46Å; N762-K764 PolarHBondContact O-N 2.63Å; N762-I765 PolarHBondContact O-N 2.81Å; N762-V766 WeakPolarHBondContact O-CG2 3.33Å; N762-V766 PolarHBondContact O-N 3.48Å; N762-F783 HydrophobicContact CB-CZ 4.39Å |
| 763 | Y | 71.4 | Confident | 79 | Confident | 170 Ų | 170 | 71.2 Ų | 71.2 | 67% | 0.667 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.5 | -48.6 | -179.8 | -178.7 | -100.2 | 0 | 0 | 0 | 113.4 | Q761 I765 V766 Q767 | Q761-Y763 PolarHBondContact O-N 2.8Å; Q761-Y763 VanDerWaalsContact O-N 3.11Å; Y763-I765 VanDerWaalsContact C-N 3.33Å; Y763-I765 PolarHBondContact O-N 3.17Å; Y763-V766 PolarHBondContact O-N 3.16Å; Y763-Q767 HydrophobicContact CD1-CG 4.48Å; Y763-Q767 HydrophobicContact CE1-CG 4.1Å; Y763-Q767 PolarHBondContact O-N 3.1Å; Y763-Q767 PolarHBondContact OH-NE2 3.01Å |
| 764 | K | 74 | Confident | 78.9 | Confident | 125 Ų | 125 | 72.3 Ų | 72.3 | 54% | 0.543 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 179.4 | -68.7 | -173.2 | 175.7 | -170.8 | 0 | 111.6 | Q761 N762 Q767 Q768 | Q761-K764 PolarHBondContact O-N 3.16Å; Q761-K764 VanDerWaalsContact O-N 3.1Å; N762-K764 PolarHBondContact O-N 2.63Å; K764-Q767 PolarHBondContact O-N 2.95Å; K764-Q768 WeakPolarHBondContact O-CG 3.49Å; K764-Q768 PolarHBondContact O-N 3.02Å |
| 765 | I | 80.8 | Confident | 78.9 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 178.8 | -66.3 | 169 | 0 | 0 | 0 | 111.1 | L755 T756 Q758 Q761 N762 Y763 Q768 F769 L777 | L755-I765 HydrophobicContact CB-CG2 4.13Å; T756-I765 WeakPolarHBondContact O-CD1 3.37Å; Q758-I765 HydrophobicContact CB-CD1 4.25Å; Q758-I765 HydrophobicContact CG-CD1 4.41Å; Q761-I765 HydrophobicContact CB-CD1 4.31Å; Q761-I765 PolarHBondContact O-N 3.23Å; Q761-I765 VanDerWaalsContact O-N 3.15Å; N762-I765 PolarHBondContact O-N 2.81Å; Y763-I765 VanDerWaalsContact C-N 3.33Å; Y763-I765 PolarHBondContact O-N 3.17Å; I765-Q768 PolarHBondContact O-N 2.67Å; I765-F769 WeakPolarHBondContact O-CB 3.42Å; I765-F769 PolarHBondContact O-N 2.71Å; I765-L777 HydrophobicContact CG2-CD1 3.33Å |
| 766 | V | 78.7 | Confident | 79 | Confident | 26 Ų | 26 | 70 Ų | 70 | 16% | 0.158 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | N762 Y763 F769 N770 F783 F787 | N762-V766 WeakPolarHBondContact O-CG2 3.33Å; N762-V766 PolarHBondContact O-N 3.48Å; Y763-V766 PolarHBondContact O-N 3.16Å; V766-F769 PolarHBondContact O-N 3.28Å; V766-N770 WeakPolarHBondContact O-CB 3.5Å; V766-N770 PolarHBondContact O-N 2.83Å; V766-N770 PolarHBondContact O-ND2 3.42Å; V766-F783 HydrophobicContact CG2-CE1 3.81Å; V766-F787 HydrophobicContact CB-CE2 4.34Å; V766-F787 HydrophobicContact CG1-CD2 4.2Å; V766-F787 HydrophobicContact CG1-CE2 4.06Å; V766-F787 HydrophobicContact CG2-CD2 3.58Å; V766-F787 HydrophobicContact CG2-CE2 3.71Å |
| 767 | Q | 78 | Confident | 79.2 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 40% | 0.397 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -48 | 176.1 | -72.8 | -175.8 | -39.9 | 0 | 0 | 111.6 | Y763 K764 F769 N770 N771 | Y763-Q767 HydrophobicContact CD1-CG 4.48Å; Y763-Q767 HydrophobicContact CE1-CG 4.1Å; Y763-Q767 PolarHBondContact O-N 3.1Å; Y763-Q767 PolarHBondContact OH-NE2 3.01Å; K764-Q767 PolarHBondContact O-N 2.95Å; Q767-F769 PolarHBondContact O-N 3.41Å; Q767-N770 PolarHBondContact O-N 2.99Å; Q767-N771 VanDerWaalsContact O-CG 3.26Å; Q767-N771 PolarHBondContact O-N 2.94Å; Q767-N771 PolarHBondContact O-OD1 2.77Å |
| 768 | Q | 81.1 | Confident | 79.7 | Confident | 90 Ų | 90 | 69 Ų | 69 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.8 | -49.5 | 175.3 | -74 | 175 | -17 | 0 | 0 | 111.3 | L755 K764 I765 N770 N771 F772 | L755-Q768 HydrophobicContact CD1-CB 3.89Å; L755-Q768 HydrophobicContact CD2-CB 4.45Å; K764-Q768 WeakPolarHBondContact O-CG 3.49Å; K764-Q768 PolarHBondContact O-N 3.02Å; I765-Q768 PolarHBondContact O-N 2.67Å; Q768-N770 VanDerWaalsContact C-N 3.27Å; Q768-N770 PolarHBondContact O-N 3.47Å; Q768-N771 PolarHBondContact O-N 3.29Å; Q768-F772 HydrophobicContact CB-CE2 4.23Å; Q768-F772 WeakPolarHBondContact O-CD2 3.2Å; Q768-F772 PolarHBondContact O-N 3.17Å |
| 769 | F | 84.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.9 | -41.7 | 177.5 | 179.2 | -100.9 | 0 | 0 | 0 | 112.2 | K725 L755 I765 V766 Q767 N771 A775 L777 F787 F789 | K725-F769 HydrophobicContact CB-CE1 4.33Å; K725-F769 HydrophobicContact CB-CE2 3.85Å; K725-F769 HydrophobicContact CB-CZ 3.55Å; K725-F769 HydrophobicContact CD-CD1 4.47Å; K725-F769 HydrophobicContact CD-CE1 4.07Å; K725-F769 HydrophobicContact CD-CE2 4.36Å; K725-F769 HydrophobicContact CD-CZ 4.03Å; K725-F769 WeakPolarHBondContact CD-O 3.45Å; K725-F769 HydrophobicContact CG-CZ 4.4Å; K725-F769 PolarHBondContact NZ-O 2.89Å; L755-F769 HydrophobicContact CD1-CB 3.79Å; I765-F769 WeakPolarHBondContact O-CB 3.42Å; I765-F769 PolarHBondContact O-N 2.71Å; V766-F769 PolarHBondContact O-N 3.28Å; Q767-F769 PolarHBondContact O-N 3.41Å; F769-N771 VanDerWaalsContact C-N 3.34Å; F769-A775 HydrophobicContact CD2-CB 3.71Å; F769-A775 HydrophobicContact CE2-CB 4.07Å; F769-L777 HydrophobicContact CB-CD2 4.25Å; F769-L777 HydrophobicContact CD1-CD2 4.44Å; F769-L777 HydrophobicContact CD2-CB 3.47Å; F769-L777 VanDerWaalsContact CD2-CB 3.47Å; F769-L777 HydrophobicContact CD2-CD2 4.31Å; F769-L777 HydrophobicContact CE2-CB 3.64Å; F769-L777 HydrophobicContact CG-CB 4.09Å; F769-L777 HydrophobicContact CG-CD2 4.08Å; F769-L777 HydrophobicContact CZ-CB 4.4Å; F769-F787 HydrophobicContact CD1-CE2 4.33Å; F769-F787 AromaticContact CD1-CZ 3.64Å; F769-F787 HydrophobicContact CD1-CZ 3.64Å; F769-F787 HydrophobicContact CE1-CE1 4.29Å; F769-F787 AromaticContact CE1-CZ 3.68Å; F769-F787 HydrophobicContact CE1-CZ 3.68Å; F769-F787 HydrophobicContact CG-CZ 4.45Å; F769-F789 HydrophobicContact CE1-CD1 4.09Å; F769-F789 HydrophobicContact CE1-CD2 4.35Å; F769-F789 AromaticContact CE1-CE1 3.97Å; F769-F789 HydrophobicContact CE1-CE1 3.97Å; F769-F789 HydrophobicContact CE1-CE2 4.22Å; F769-F789 HydrophobicContact CE1-CG 4.26Å; F769-F789 HydrophobicContact CE1-CZ 4.03Å; F769-F789 HydrophobicContact CZ-CE1 4.08Å; F769-F789 HydrophobicContact CZ-CE2 4.04Å; F769-F789 AromaticContact CZ-CZ 3.76Å; F769-F789 HydrophobicContact CZ-CZ 3.76Å |
| 770 | N | 82.8 | Confident | 81.1 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.6 | -26.3 | 178.7 | -74.4 | -25.8 | 0 | 0 | 0 | 113 | K725 V766 Q767 Q768 D788 Q790 | K725-N770 PolarHBondContact NZ-O 2.96Å; V766-N770 WeakPolarHBondContact O-CB 3.5Å; V766-N770 PolarHBondContact O-N 2.83Å; V766-N770 PolarHBondContact O-ND2 3.42Å; Q767-N770 PolarHBondContact O-N 2.99Å; Q768-N770 VanDerWaalsContact C-N 3.27Å; Q768-N770 PolarHBondContact O-N 3.47Å; N770-D788 PolarHBondContact ND2-O 3.49Å; N770-D788 PolarHBondContact OD1-O 3.13Å; N770-Q790 HydrophobicContact CB-CB 4.36Å; N770-Q790 PolarHBondContact OD1-N 2.94Å |
| 771 | N | 83 | Confident | 81.3 | Confident | 133 Ų | 133 | 52.2 Ų | 52.2 | 71% | 0.711 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -79 | -26.4 | 178 | -70.8 | -5 | 0 | 0 | 0 | 114.3 | Q767 Q768 F769 | Q767-N771 VanDerWaalsContact O-CG 3.26Å; Q767-N771 PolarHBondContact O-N 2.94Å; Q767-N771 PolarHBondContact O-OD1 2.77Å; Q768-N771 PolarHBondContact O-N 3.29Å; F769-N771 VanDerWaalsContact C-N 3.34Å |
| 772 | F | 82.9 | Confident | 81.3 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 38% | 0.382 | 25% | 0.245 | S | C | . | . | trans | -96.6 | 130.7 | -179 | -67 | -64.8 | 0 | 0 | 0 | 112.5 | K725 V753 Q768 A775 | K725-F772 VanDerWaalsContact CD-O 3.27Å; K725-F772 WeakPolarHBondContact CD-O 3.48Å; K725-F772 WeakPolarHBondContact CE-O 3.2Å; K725-F772 PolarHBondContact NZ-O 3Å; V753-F772 HydrophobicContact CB-CD2 4.14Å; V753-F772 HydrophobicContact CB-CE2 4.5Å; V753-F772 HydrophobicContact CB-CG 4.35Å; V753-F772 HydrophobicContact CG1-CD2 4.13Å; V753-F772 HydrophobicContact CG1-CE2 4.1Å; V753-F772 HydrophobicContact CG2-CB 4.49Å; V753-F772 HydrophobicContact CG2-CD1 3.91Å; V753-F772 HydrophobicContact CG2-CD2 4Å; V753-F772 HydrophobicContact CG2-CE1 4.08Å; V753-F772 HydrophobicContact CG2-CE2 4.19Å; V753-F772 HydrophobicContact CG2-CG 3.88Å; V753-F772 HydrophobicContact CG2-CZ 4.23Å; Q768-F772 HydrophobicContact CB-CE2 4.23Å; Q768-F772 WeakPolarHBondContact O-CD2 3.2Å; Q768-F772 PolarHBondContact O-N 3.17Å; F772-A775 HydrophobicContact CB-CB 3.91Å | ||
| 773 | D | 82.5 | Confident | 81.3 | Confident | 114 Ų | 114 | 48.5 Ų | 48.5 | 61% | 0.61 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -71.4 | -32.8 | 176.5 | -78 | -36.4 | 0 | 0 | 0 | 113.8 | K725 | K725-D773 WeakPolarHBondContact CG-O 3.49Š|
| 774 | K | 88 | Confident | 81 | Confident | 71 Ų | 71 | 40.6 Ų | 40.6 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -111.2 | 89.7 | 174.4 | -70.3 | -176.1 | -178.7 | 180 | 0 | 109.9 | D751 Y752 V753 | D751-K774 HydrophobicContact CB-CD 4.14Å; D751-K774 WeakPolarHBondContact O-CD 3.45Å; D751-K774 IonicContact OD2-NZ 2.66Å; D751-K774 PolarHBondContact OD2-NZ 3.49Å; Y752-K774 VanDerWaalsContact CD1-C 3.47Å; Y752-K774 HydrophobicContact CD1-CB 3.76Å; Y752-K774 HydrophobicContact CD2-CB 4.32Å; Y752-K774 HydrophobicContact CD2-CD 4.29Å; Y752-K774 HydrophobicContact CE1-CB 3.78Å; Y752-K774 HydrophobicContact CE1-CG 4.24Å; Y752-K774 HydrophobicContact CE2-CB 4.33Å; Y752-K774 HydrophobicContact CE2-CD 4.07Å; Y752-K774 HydrophobicContact CE2-CG 4.26Å; Y752-K774 HydrophobicContact CG-CB 4.04Å; V753-K774 PolarHBondContact N-O 3.36Å |
| 775 | A | 90.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 144 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K725 C726 V753 F769 F772 | K725-A775 CarbonylContact C-O 3.52Å; K725-A775 WeakPolarHBondContact CA-O 3.33Å; C726-A775 PolarHBondContact N-O 3.29Å; V753-A775 HydrophobicContact CB-CB 4.45Å; V753-A775 CarbonylContact O-C 3.5Å; V753-A775 VanDerWaalsContact O-CA 3.28Å; V753-A775 WeakPolarHBondContact O-CA 3.4Å; F769-A775 HydrophobicContact CD2-CB 3.71Å; F769-A775 HydrophobicContact CE2-CB 4.07Å; F772-A775 HydrophobicContact CB-CB 3.91Å |
| 776 | I | 92.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.7 | 171.5 | -60.5 | 167.7 | 0 | 0 | 0 | 106.9 | I715 T719 C726 V728 L743 F749 Y752 V753 L755 L778 | I715-I776 HydrophobicContact CG2-CD1 3.82Å; T719-I776 HydrophobicContact CG2-CD1 4.17Å; T719-I776 HydrophobicContact CG2-CG1 4.4Å; C726-I776 HydrophobicContact CB-CG1 4.45Å; C726-I776 CarbonylContact O-C 3.54Å; C726-I776 WeakPolarHBondContact O-CA 3.38Å; V728-I776 HydrophobicContact CG2-CG2 4.39Å; L743-I776 HydrophobicContact CD1-CD1 4.39Å; L743-I776 HydrophobicContact CD1-CG2 4.09Å; F749-I776 HydrophobicContact CD1-CD1 3.48Å; F749-I776 VanDerWaalsContact CD1-CD1 3.48Å; F749-I776 HydrophobicContact CE1-CD1 3.44Å; F749-I776 VanDerWaalsContact CE1-CD1 3.44Å; F749-I776 HydrophobicContact CG-CD1 4.4Å; F749-I776 HydrophobicContact CZ-CD1 4.35Å; Y752-I776 HydrophobicContact CD1-CD1 4.22Å; Y752-I776 HydrophobicContact CD1-CG1 3.93Å; Y752-I776 HydrophobicContact CE1-CG1 4.41Å; V753-I776 PolarHBondContact O-N 3.33Å; L755-I776 PolarHBondContact N-O 2.86Å; I776-L778 HydrophobicContact CG2-CD2 3.74Å; I776-L778 HydrophobicContact CG2-CG 4.45Å |
| 777 | L | 91.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 120.7 | 175.2 | 176.5 | 57.3 | 0 | 0 | 0 | 110 | C726 L727 V728 L755 I765 F769 F783 F787 | C726-L777 PolarHBondContact O-N 3.4Å; L727-L777 CarbonylContact C-O 3.51Å; L727-L777 WeakPolarHBondContact CA-O 3.45Å; L727-L777 HydrophobicContact CD1-CB 4.06Å; L727-L777 HydrophobicContact CD1-CD2 3.96Å; L727-L777 HydrophobicContact CD1-CG 3.79Å; L727-L777 WeakPolarHBondContact CD1-O 2.91Å; V728-L777 PolarHBondContact N-O 3.4Å; L755-L777 HydrophobicContact CB-CD1 3.95Å; L755-L777 CarbonylContact O-C 3.53Å; L755-L777 WeakPolarHBondContact O-CA 3.44Å; I765-L777 HydrophobicContact CG2-CD1 3.33Å; F769-L777 HydrophobicContact CB-CD2 4.25Å; F769-L777 HydrophobicContact CD1-CD2 4.44Å; F769-L777 HydrophobicContact CD2-CB 3.47Å; F769-L777 VanDerWaalsContact CD2-CB 3.47Å; F769-L777 HydrophobicContact CD2-CD2 4.31Å; F769-L777 HydrophobicContact CE2-CB 3.64Å; F769-L777 HydrophobicContact CG-CB 4.09Å; F769-L777 HydrophobicContact CG-CD2 4.08Å; F769-L777 HydrophobicContact CZ-CB 4.4Å; L777-F783 HydrophobicContact CD1-CZ 4.42Å; L777-F783 HydrophobicContact CD2-CD1 4.09Å; L777-F783 HydrophobicContact CD2-CE1 3.67Å; L777-F783 HydrophobicContact CD2-CZ 4.36Å; L777-F783 HydrophobicContact CG-CE1 4.42Å; L777-F787 HydrophobicContact CD2-CD2 4.29Å; L777-F787 HydrophobicContact CD2-CE2 3.31Å; L777-F787 HydrophobicContact CD2-CZ 3.53Å |
| 778 | L | 92.4 | Very high | 78 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 117.2 | 173.6 | -49.5 | -177.8 | 0 | 0 | 0 | 108.7 | V728 F730 M736 V739 Q740 L743 V754 L755 T756 Q757 I776 | V728-L778 HydrophobicContact CB-CD2 3.79Å; V728-L778 HydrophobicContact CG2-CD2 3.91Å; F730-L778 HydrophobicContact CE2-CB 4.11Å; F730-L778 HydrophobicContact CE2-CD2 4.04Å; F730-L778 HydrophobicContact CZ-CD2 4.48Å; M736-L778 HydrophobicContact CG-CB 3.71Å; M736-L778 HydrophobicContact SD-CB 4.21Å; V739-L778 HydrophobicContact CG1-CD1 4.25Å; V739-L778 HydrophobicContact CG1-CD2 4.18Å; Q740-L778 HydrophobicContact CB-CD1 3.7Å; Q740-L778 HydrophobicContact CG-CD1 4.39Å; L743-L778 HydrophobicContact CD1-CD1 4.18Å; L743-L778 HydrophobicContact CD1-CD2 4.07Å; V754-L778 HydrophobicContact CG1-CD1 4.24Å; L755-L778 PolarHBondContact O-N 2.77Å; T756-L778 HydrophobicContact CG2-CB 4.36Å; Q757-L778 PolarHBondContact N-O 2.9Å; I776-L778 HydrophobicContact CG2-CD2 3.74Å; I776-L778 HydrophobicContact CG2-CG 4.45Å |
| 779 | G | 86.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 156.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V728 L729 F730 | V728-G779 PolarHBondContact O-N 3.33Å; L729-G779 CarbonylContact C-O 3.59Å; L729-G779 WeakPolarHBondContact CA-O 3.39Å; F730-G779 PolarHBondContact N-O 2.87Å |
| 780 | T | 82 | Confident | 76.9 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | trans | -91.2 | -171.4 | 174.8 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | F730 Y733 M736 Q757 T782 F783 | F730-T780 CarbonylContact O-C 3.34Å; F730-T780 WeakPolarHBondContact O-CA 3.33Å; Y733-T780 HydrophobicContact CD1-CG2 4.11Å; Y733-T780 HydrophobicContact CD2-CG2 4.12Å; Y733-T780 HydrophobicContact CE1-CG2 3.86Å; Y733-T780 HydrophobicContact CE2-CG2 3.91Å; Y733-T780 HydrophobicContact CG-CG2 4.23Å; M736-T780 HydrophobicContact CE-CG2 4.37Å; M736-T780 HydrophobicContact SD-CG2 4.09Å; Q757-T780 PolarHBondContact OE1-OG1 2.93Å; T780-T782 PolarHBondContact O-N 3.16Å; T780-T782 PolarHBondContact OG1-OG1 2.92Å; T780-T782 VanDerWaalsContact OG1-OG1 3.05Å; T780-F783 PolarHBondContact O-N 3.34Å | ||
| 781 | S | 66.5 | Low | 76.2 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -48.5 | -28.6 | 175.6 | 60.8 | 0 | 0 | 0 | 0 | 114.2 | F730 F783 F784 | F730-S781 PolarHBondContact O-N 2.71Å; S781-F783 PolarHBondContact O-N 2.91Å; S781-F784 WeakPolarHBondContact O-CB 3.31Å; S781-F784 PolarHBondContact O-N 3.44Å; S781-F784 VanDerWaalsContact O-N 3.13Å |
| 782 | T | 67.2 | Low | 75.2 | Confident | 55 Ų | 55 | 37 Ų | 37 | 34% | 0.337 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -62.7 | -23.8 | 176.2 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | Q757 T780 | Q757-T782 PolarHBondContact NE2-OG1 2.9Å; Q757-T782 PolarHBondContact OE1-OG1 3.03Å; T780-T782 PolarHBondContact O-N 3.16Å; T780-T782 PolarHBondContact OG1-OG1 2.92Å; T780-T782 VanDerWaalsContact OG1-OG1 3.05Å |
| 783 | F | 71 | Confident | 74.4 | Confident | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -84.4 | -8.5 | 175.9 | -83.3 | -91.8 | 0 | 0 | 0 | 113.7 | L729 Q757 N762 V766 L777 T780 S781 E785 F787 | L729-F783 HydrophobicContact CD2-CB 3.52Å; Q757-F783 HydrophobicContact CB-CD2 4.36Å; Q757-F783 HydrophobicContact CB-CE2 3.64Å; Q757-F783 HydrophobicContact CB-CZ 4.46Å; Q757-F783 HydrophobicContact CG-CD2 4.38Å; Q757-F783 HydrophobicContact CG-CE2 3.63Å; N762-F783 HydrophobicContact CB-CZ 4.39Å; V766-F783 HydrophobicContact CG2-CE1 3.81Å; L777-F783 HydrophobicContact CD1-CZ 4.42Å; L777-F783 HydrophobicContact CD2-CD1 4.09Å; L777-F783 HydrophobicContact CD2-CE1 3.67Å; L777-F783 HydrophobicContact CD2-CZ 4.36Å; L777-F783 HydrophobicContact CG-CE1 4.42Å; T780-F783 PolarHBondContact O-N 3.34Å; S781-F783 PolarHBondContact O-N 2.91Å; F783-E785 PolarHBondContact O-N 3.11Å; F783-F787 HydrophobicContact CD1-CB 4.27Å; F783-F787 AromaticContact CD1-CD2 3.46Å; F783-F787 HydrophobicContact CD1-CD2 3.46Å; F783-F787 VanDerWaalsContact CD1-CD2 3.46Å; F783-F787 AromaticContact CD1-CE2 3.98Å; F783-F787 HydrophobicContact CD1-CE2 3.98Å; F783-F787 HydrophobicContact CD1-CG 4.01Å; F783-F787 AromaticContact CE1-CD2 3.7Å; F783-F787 HydrophobicContact CE1-CD2 3.7Å; F783-F787 AromaticContact CE1-CE2 3.96Å; F783-F787 HydrophobicContact CE1-CE2 3.96Å; F783-F787 WeakPolarHBondContact O-CB 3.23Å |
| 784 | F | 65.2 | Low | 73.8 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -66.5 | -26.1 | 168.5 | -77.8 | -101.4 | 0 | 0 | 0 | 111.5 | L729 S781 I799 P803 | L729-F784 HydrophobicContact CB-CD2 4.35Å; L729-F784 HydrophobicContact CB-CE2 3.61Å; L729-F784 HydrophobicContact CB-CZ 3.86Å; L729-F784 HydrophobicContact CD1-CD1 4.02Å; L729-F784 HydrophobicContact CD1-CD2 3.82Å; L729-F784 HydrophobicContact CD1-CE1 3.84Å; L729-F784 HydrophobicContact CD1-CE2 3.69Å; L729-F784 HydrophobicContact CD1-CG 4.02Å; L729-F784 HydrophobicContact CD1-CZ 3.69Å; L729-F784 HydrophobicContact CD2-CD2 4.38Å; L729-F784 HydrophobicContact CD2-CE2 4.46Å; L729-F784 HydrophobicContact CG-CD2 4.42Å; L729-F784 HydrophobicContact CG-CE2 4.12Å; L729-F784 HydrophobicContact CG-CZ 4.4Å; S781-F784 WeakPolarHBondContact O-CB 3.31Å; S781-F784 PolarHBondContact O-N 3.44Å; S781-F784 VanDerWaalsContact O-N 3.13Å; F784-I799 HydrophobicContact CE1-CD1 4.14Å; F784-I799 HydrophobicContact CE1-CG1 4.3Å; F784-I799 HydrophobicContact CZ-CG1 4.28Å; F784-I799 HydrophobicContact CZ-CG2 4.14Å; F784-P803 HydrophobicContact CD1-CB 4.44Å; F784-P803 HydrophobicContact CD1-CG 4.4Å; F784-P803 HydrophobicContact CE1-CB 4.15Å; F784-P803 HydrophobicContact CE1-CG 4.03Å; F784-P803 HydrophobicContact CE2-CB 4.24Å; F784-P803 HydrophobicContact CZ-CB 4.02Å; F784-P803 HydrophobicContact CZ-CG 4.32Å |
| 785 | E | 58.7 | Low | 73.4 | Confident | 40 Ų | 40 | 26 Ų | 26 | 19% | 0.187 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -114.6 | 148.7 | -179.8 | -60.6 | 175.8 | 178.1 | 0 | 0 | 109.4 | R452 F783 F787 R834 | R452-E785 IonicContact CZ-OE1 2.96Å; R452-E785 IonicContact CZ-OE2 3.16Å; R452-E785 VanDerWaalsContact CZ-OE2 3.32Å; R452-E785 VanDerWaalsContact NH1-CD 3.3Å; R452-E785 IonicContact NH1-OE1 3.41Å; R452-E785 PolarHBondContact NH1-OE1 3Å; R452-E785 IonicContact NH1-OE2 3.23Å; R452-E785 PolarHBondContact NH1-OE2 3.12Å; R452-E785 IonicContact NH2-OE1 3Å; R452-E785 IonicContact NH2-OE2 3.65Å; R452-E785 PolarHBondContact NH2-OE2 3.01Å; F783-E785 PolarHBondContact O-N 3.11Å; E785-F787 PolarHBondContact O-N 2.99Å; E785-R834 IonicContact OE1-NE 2.91Å |
| 786 | G | 56.4 | Low | 73.3 | Confident | 62 Ų | 62 | 26 Ų | 26 | 64% | 0.639 | 16% | 0.159 | S | C | * | . | S | Bend | trans | 72.9 | -12.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | R841 | G786-R841 VanDerWaalsContact N-NH1 3.17Å; G786-R841 VanDerWaalsContact N-NH2 3.17Å |
| 787 | F | 64.3 | Low | 73.1 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | trans | -74.3 | 136 | -178.2 | -172 | -116.5 | 0 | 0 | 0 | 114.1 | L727 V766 F769 L777 F783 E785 F789 R841 | L727-F787 HydrophobicContact CD2-CD1 3.58Å; L727-F787 HydrophobicContact CD2-CE1 3.5Å; L727-F787 HydrophobicContact CD2-CG 4.42Å; L727-F787 HydrophobicContact CD2-CZ 4.31Å; L727-F787 HydrophobicContact CG-CE1 4.38Å; V766-F787 HydrophobicContact CB-CE2 4.34Å; V766-F787 HydrophobicContact CG1-CD2 4.2Å; V766-F787 HydrophobicContact CG1-CE2 4.06Å; V766-F787 HydrophobicContact CG2-CD2 3.58Å; V766-F787 HydrophobicContact CG2-CE2 3.71Å; F769-F787 HydrophobicContact CD1-CE2 4.33Å; F769-F787 AromaticContact CD1-CZ 3.64Å; F769-F787 HydrophobicContact CD1-CZ 3.64Å; F769-F787 HydrophobicContact CE1-CE1 4.29Å; F769-F787 AromaticContact CE1-CZ 3.68Å; F769-F787 HydrophobicContact CE1-CZ 3.68Å; F769-F787 HydrophobicContact CG-CZ 4.45Å; L777-F787 HydrophobicContact CD2-CD2 4.29Å; L777-F787 HydrophobicContact CD2-CE2 3.31Å; L777-F787 HydrophobicContact CD2-CZ 3.53Å; F783-F787 HydrophobicContact CD1-CB 4.27Å; F783-F787 AromaticContact CD1-CD2 3.46Å; F783-F787 HydrophobicContact CD1-CD2 3.46Å; F783-F787 VanDerWaalsContact CD1-CD2 3.46Å; F783-F787 AromaticContact CD1-CE2 3.98Å; F783-F787 HydrophobicContact CD1-CE2 3.98Å; F783-F787 HydrophobicContact CD1-CG 4.01Å; F783-F787 AromaticContact CE1-CD2 3.7Å; F783-F787 HydrophobicContact CE1-CD2 3.7Å; F783-F787 AromaticContact CE1-CE2 3.96Å; F783-F787 HydrophobicContact CE1-CE2 3.96Å; F783-F787 WeakPolarHBondContact O-CB 3.23Å; E785-F787 PolarHBondContact O-N 2.99Å; F787-F789 HydrophobicContact CD1-CB 3.95Å; F787-F789 HydrophobicContact CD1-CD2 4.39Å; F787-F789 HydrophobicContact CE1-CB 3.54Å; F787-F789 AromaticContact CE1-CD2 3.56Å; F787-F789 HydrophobicContact CE1-CD2 3.56Å; F787-F789 HydrophobicContact CE1-CE2 4.49Å; F787-F789 AromaticContact CE1-CG 3.8Å; F787-F789 HydrophobicContact CE1-CG 3.8Å; F787-F789 HydrophobicContact CZ-CB 4.45Å; F787-F789 HydrophobicContact CZ-CD2 4.46Å; F787-R841 PolarHBondContact O-NH1 2.85Å; F787-R841 VanDerWaalsContact O-NH1 3.1Å | ||
| 788 | D | 68.3 | Low | 73.2 | Confident | 38 Ų | 38 | 26.4 Ų | 26.4 | 20% | 0.203 | 16% | 0.162 | C | C | . | . | trans | -108 | 102.3 | 169.9 | -175.7 | -3.6 | 0 | 0 | 0 | 110.1 | N770 Q790 R844 | N770-D788 PolarHBondContact ND2-O 3.49Å; N770-D788 PolarHBondContact OD1-O 3.13Å; D788-Q790 WeakPolarHBondContact OD1-CG 3.48Å; D788-Q790 PolarHBondContact OD2-NE2 2.97Å; D788-Q790 VanDerWaalsContact OD2-NE2 3.16Å; D788-R844 VanDerWaalsContact CB-NH2 3.29Å; D788-R844 IonicContact OD1-CZ 2.63Å; D788-R844 IonicContact OD1-NE 3.68Å; D788-R844 IonicContact OD1-NH1 3.18Å; D788-R844 PolarHBondContact OD1-NH1 3.5Å; D788-R844 IonicContact OD1-NH2 3.76Å; D788-R844 PolarHBondContact OD1-NH2 2.98Å; D788-R844 VanDerWaalsContact OD1-NH2 3.07Å; D788-R844 IonicContact OD2-CZ 3.92Å; D788-R844 IonicContact OD2-NH1 3.62Å; D788-R844 PolarHBondContact OD2-NH1 3.31Å; D788-R844 IonicContact OD2-NH2 2.78Å; D788-R844 PolarHBondContact OD2-NH2 3.4Å | ||
| 789 | F | 71.5 | Confident | 73.1 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | trans | -89.3 | 105.3 | 178.1 | -162.7 | -46.6 | 0 | 0 | 0 | 110.5 | K725 L727 F769 F787 A791 K795 C796 V797 | K725-F789 HydrophobicContact CB-CE1 4.27Å; K725-F789 HydrophobicContact CB-CZ 4.24Å; L727-F789 HydrophobicContact CB-CD2 4.12Å; L727-F789 HydrophobicContact CB-CE2 3.67Å; L727-F789 HydrophobicContact CD2-CD2 4.41Å; F769-F789 HydrophobicContact CE1-CD1 4.09Å; F769-F789 HydrophobicContact CE1-CD2 4.35Å; F769-F789 AromaticContact CE1-CE1 3.97Å; F769-F789 HydrophobicContact CE1-CE1 3.97Å; F769-F789 HydrophobicContact CE1-CE2 4.22Å; F769-F789 HydrophobicContact CE1-CG 4.26Å; F769-F789 HydrophobicContact CE1-CZ 4.03Å; F769-F789 HydrophobicContact CZ-CE1 4.08Å; F769-F789 HydrophobicContact CZ-CE2 4.04Å; F769-F789 AromaticContact CZ-CZ 3.76Å; F769-F789 HydrophobicContact CZ-CZ 3.76Å; F787-F789 HydrophobicContact CD1-CB 3.95Å; F787-F789 HydrophobicContact CD1-CD2 4.39Å; F787-F789 HydrophobicContact CE1-CB 3.54Å; F787-F789 AromaticContact CE1-CD2 3.56Å; F787-F789 HydrophobicContact CE1-CD2 3.56Å; F787-F789 HydrophobicContact CE1-CE2 4.49Å; F787-F789 AromaticContact CE1-CG 3.8Å; F787-F789 HydrophobicContact CE1-CG 3.8Å; F787-F789 HydrophobicContact CZ-CB 4.45Å; F787-F789 HydrophobicContact CZ-CD2 4.46Å; F789-A791 HydrophobicContact CD1-CB 4.16Å; F789-A791 HydrophobicContact CE1-CB 3.68Å; F789-K795 HydrophobicContact CD1-CB 4.35Å; F789-K795 HydrophobicContact CD1-CD 4.05Å; F789-K795 HydrophobicContact CD1-CG 3.83Å; F789-K795 HydrophobicContact CE1-CB 4.09Å; F789-K795 HydrophobicContact CE1-CG 3.79Å; F789-K795 HydrophobicContact CZ-CB 4.28Å; F789-K795 HydrophobicContact CZ-CG 4.46Å; F789-K795 VanDerWaalsContact O-CE 3.31Å; F789-K795 WeakPolarHBondContact O-CE 3.42Å; F789-K795 PolarHBondContact O-NZ 2.81Å; F789-K795 VanDerWaalsContact O-NZ 3.09Å; F789-C796 WeakPolarHBondContact CE2-O 3.39Å; F789-V797 HydrophobicContact CD2-CG2 4.3Å; F789-V797 HydrophobicContact CE2-CG2 4.3Å | ||
| 790 | Q | 71.6 | Confident | 73.2 | Confident | 102 Ų | 102 | 26.6 Ų | 26.6 | 48% | 0.477 | 16% | 0.163 | S | C | . | . | trans | -106.3 | 121.5 | 172.7 | -55.6 | -174.9 | 4.9 | 0 | 0 | 111 | K725 N770 D788 | K725-Q790 WeakPolarHBondContact CE-O 3.39Å; K725-Q790 PolarHBondContact NZ-O 2.95Å; N770-Q790 HydrophobicContact CB-CB 4.36Å; N770-Q790 PolarHBondContact OD1-N 2.94Å; D788-Q790 WeakPolarHBondContact OD1-CG 3.48Å; D788-Q790 PolarHBondContact OD2-NE2 2.97Å; D788-Q790 VanDerWaalsContact OD2-NE2 3.16Å | ||
| 791 | A | 67.5 | Low | 73.5 | Confident | 20 Ų | 20 | 29 Ų | 29 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | trans | -153.9 | 143.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K725 F789 G793 K795 | K725-A791 HydrophobicContact CD-CB 4.23Å; K725-A791 HydrophobicContact CG-CB 4.41Å; F789-A791 HydrophobicContact CD1-CB 4.16Å; F789-A791 HydrophobicContact CE1-CB 3.68Å; A791-G793 VanDerWaalsContact C-N 3.26Å; A791-K795 HydrophobicContact CB-CG 4.26Å | ||
| 792 | N | 63.9 | Low | 74.5 | Confident | 147 Ų | 147 | 28.2 Ų | 28.2 | 79% | 0.786 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -79.7 | -8.2 | 173.2 | -64.4 | -30.1 | 0 | 0 | 0 | 112.7 | ||
| 793 | G | 65.9 | Low | 75.5 | Confident | 23 Ų | 23 | 25.8 Ų | 25.8 | 24% | 0.237 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -104.7 | -160.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A791 K795 | A791-G793 VanDerWaalsContact C-N 3.26Å; G793-K795 PolarHBondContact O-N 3.04Å |
| 794 | I | 69.4 | Low | 76.3 | Confident | 12 Ų | 12 | 26.9 Ų | 26.9 | 6% | 0.062 | 16% | 0.157 | C | C | . | . | trans | -72.3 | 122.4 | 170.1 | -63.1 | 170.7 | 0 | 0 | 0 | 106.8 | Y718 T722 C796 R849 I851 I892 Q893 | Y718-I794 HydrophobicContact CE2-CG2 4.37Å; Y718-I794 PolarHBondContact OH-O 2.88Å; T722-I794 HydrophobicContact CG2-CD1 3.95Å; I794-C796 PolarHBondContact O-N 2.8Å; I794-R849 CarbonylContact C-O 3.57Å; I794-R849 WeakPolarHBondContact CA-O 3.21Å; I794-I851 HydrophobicContact CG2-CG2 3.97Å; I794-I892 HydrophobicContact CD1-CB 4.06Å; I794-I892 HydrophobicContact CD1-CG2 3.56Å; I794-I892 HydrophobicContact CG1-CG2 3.92Å; I794-Q893 HydrophobicContact CD1-CB 4.35Å | ||
| 795 | K | 80.1 | Confident | 77.3 | Confident | 7 Ų | 7 | 27.9 Ų | 27.9 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 120.4 | 173.9 | -66.5 | 176.5 | 175.5 | 179.5 | 0 | 108.8 | F789 A791 G793 L842 D848 R849 G850 I851 | F789-K795 HydrophobicContact CD1-CB 4.35Å; F789-K795 HydrophobicContact CD1-CD 4.05Å; F789-K795 HydrophobicContact CD1-CG 3.83Å; F789-K795 HydrophobicContact CE1-CB 4.09Å; F789-K795 HydrophobicContact CE1-CG 3.79Å; F789-K795 HydrophobicContact CZ-CB 4.28Å; F789-K795 HydrophobicContact CZ-CG 4.46Å; F789-K795 VanDerWaalsContact O-CE 3.31Å; F789-K795 WeakPolarHBondContact O-CE 3.42Å; F789-K795 PolarHBondContact O-NZ 2.81Å; F789-K795 VanDerWaalsContact O-NZ 3.09Å; A791-K795 HydrophobicContact CB-CG 4.26Å; G793-K795 PolarHBondContact O-N 3.04Å; K795-L842 HydrophobicContact CB-CD2 4.25Å; K795-L842 WeakPolarHBondContact CD-O 3.46Å; K795-D848 IonicContact NZ-OD1 2.67Å; K795-D848 IonicContact NZ-OD2 3.27Å; K795-D848 PolarHBondContact NZ-OD2 3.36Å; K795-R849 PolarHBondContact N-O 3.4Å; K795-G850 CarbonylContact O-C 3.47Å; K795-G850 VanDerWaalsContact O-CA 3.28Å; K795-G850 WeakPolarHBondContact O-CA 3.26Å; K795-I851 PolarHBondContact O-N 2.86Å |
| 796 | C | 88.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.3 | 174 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | Y718 L727 F789 I794 I851 | Y718-C796 HydrophobicContact CD1-CB 4.21Å; Y718-C796 HydrophobicContact CD2-CB 3.89Å; Y718-C796 HydrophobicContact CE1-CB 3.69Å; Y718-C796 HydrophobicContact CE2-CB 3.31Å; Y718-C796 HydrophobicContact CG-CB 4.3Å; Y718-C796 WeakPolarHBondContact OH-CB 3.38Å; L727-C796 PolarHBondContact N-O 3.44Å; F789-C796 WeakPolarHBondContact CE2-O 3.39Å; I794-C796 PolarHBondContact O-N 2.8Å; C796-I851 WeakPolarHBondContact CA-O 3.27Å; C796-I851 HydrophobicContact CB-CG2 3.75Å |
| 797 | V | 88.4 | Confident | 79.7 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.048 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 126.8 | 164.2 | 169.2 | 0 | 0 | 0 | 0 | 108.2 | L727 L729 F789 I799 L842 I851 I852 V853 | L727-V797 HydrophobicContact CB-CG2 4Å; L727-V797 HydrophobicContact CD2-CG2 3.81Å; L727-V797 HydrophobicContact CG-CG2 4.2Å; L727-V797 CarbonylContact O-C 3.58Å; L727-V797 VanDerWaalsContact O-CA 3.27Å; L727-V797 WeakPolarHBondContact O-CA 3.43Å; L729-V797 HydrophobicContact CD1-CG1 3.67Å; L729-V797 HydrophobicContact CG-CG1 4.19Å; F789-V797 HydrophobicContact CD2-CG2 4.3Å; F789-V797 HydrophobicContact CE2-CG2 4.3Å; V797-I799 HydrophobicContact CG1-CG1 4.08Å; V797-L842 HydrophobicContact CB-CD1 3.88Å; V797-L842 HydrophobicContact CB-CD2 3.68Å; V797-L842 HydrophobicContact CB-CG 4.04Å; V797-L842 HydrophobicContact CG2-CD1 3.91Å; V797-L842 HydrophobicContact CG2-CD2 3.27Å; V797-L842 HydrophobicContact CG2-CG 3.56Å; V797-I851 PolarHBondContact N-O 3.27Å; V797-I851 VanDerWaalsContact N-O 3.1Å; V797-I852 CarbonylContact O-C 3.51Å; V797-I852 WeakPolarHBondContact O-CA 3.26Å; V797-V853 PolarHBondContact O-N 3.28Å |
| 798 | M | 91.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124 | 174.5 | -59.9 | -164.6 | 179.3 | 0 | 0 | 109.1 | I715 Y718 L727 V728 L729 V853 F855 F885 | I715-M798 HydrophobicContact CG1-CE 4.28Å; I715-M798 HydrophobicContact CG1-SD 3.65Å; Y718-M798 HydrophobicContact CD1-CE 4.46Å; Y718-M798 HydrophobicContact CG-CE 4.1Å; L727-M798 PolarHBondContact O-N 2.87Å; V728-M798 CarbonylContact C-O 3.3Å; V728-M798 WeakPolarHBondContact CA-O 3.34Å; V728-M798 HydrophobicContact CB-CB 4.45Å; V728-M798 HydrophobicContact CG1-CB 4.07Å; V728-M798 HydrophobicContact CG2-CB 4.27Å; L729-M798 PolarHBondContact N-O 2.74Å; M798-V853 CarbonylContact C-O 3.59Å; M798-V853 WeakPolarHBondContact CA-O 3.47Å; M798-V853 HydrophobicContact CB-CB 4.41Å; M798-V853 HydrophobicContact CE-CG2 4.46Å; M798-V853 HydrophobicContact CG-CB 4.02Å; M798-V853 HydrophobicContact CG-CG2 4.22Å; M798-F855 HydrophobicContact CB-CE2 3.93Å; M798-F855 HydrophobicContact CG-CE2 4.46Å; M798-F855 HydrophobicContact SD-CE2 4.12Å; M798-F855 HydrophobicContact SD-CZ 4.11Å; M798-F885 HydrophobicContact CE-CZ 4.39Å |
| 799 | I | 90 | Very high | 81.5 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 105.5 | 179.3 | -62.4 | 170.5 | 0 | 0 | 0 | 107 | L729 F784 V797 K801 F835 I852 V853 F855 | L729-I799 HydrophobicContact CD1-CG1 4.47Å; F784-I799 HydrophobicContact CE1-CD1 4.14Å; F784-I799 HydrophobicContact CE1-CG1 4.3Å; F784-I799 HydrophobicContact CZ-CG1 4.28Å; F784-I799 HydrophobicContact CZ-CG2 4.14Å; V797-I799 HydrophobicContact CG1-CG1 4.08Å; I799-K801 VanDerWaalsContact C-N 3.32Å; I799-K801 VanDerWaalsContact CG2-O 3.25Å; I799-K801 WeakPolarHBondContact CG2-O 3.36Å; I799-F835 HydrophobicContact CD1-CD2 4.01Å; I799-F835 HydrophobicContact CD1-CE2 3.65Å; I799-I852 HydrophobicContact CD1-CG2 4.2Å; I799-V853 PolarHBondContact N-O 2.95Å; I799-F855 PolarHBondContact O-N 3.11Å |
| 800 | A | 90.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -65.9 | -37.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y707 I711 L729 F730 M735 | Y707-A800 PolarHBondContact OH-O 3.13Å; I711-A800 HydrophobicContact CD1-CB 3.8Å; L729-A800 WeakPolarHBondContact O-CB 3.28Å; L729-A800 PolarHBondContact O-N 3.26Å; F730-A800 HydrophobicContact CD1-CB 3.66Å; F730-A800 HydrophobicContact CE1-CB 3.95Å; F730-A800 HydrophobicContact CG-CB 4.45Å; M735-A800 HydrophobicContact SD-CB 3.98Å |
| 801 | K | 86.9 | Confident | 83.3 | Confident | 52 Ų | 52 | 32.1 Ų | 32.1 | 23% | 0.226 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -150.3 | 142.9 | 179.1 | -169.3 | 176 | 177.9 | -178.2 | 0 | 110.6 | T731 I799 D856 | T731-K801 HydrophobicContact CG2-CB 3.78Å; T731-K801 HydrophobicContact CG2-CD 4.26Å; T731-K801 HydrophobicContact CG2-CG 4.15Å; T731-K801 WeakPolarHBondContact OG1-CD 3.29Å; I799-K801 VanDerWaalsContact C-N 3.32Å; I799-K801 VanDerWaalsContact CG2-O 3.25Å; I799-K801 WeakPolarHBondContact CG2-O 3.36Å; K801-D856 WeakPolarHBondContact CG-OD2 3.48Å |
| 802 | L | 88.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -55.6 | 140.3 | 175.3 | -70.3 | 177.3 | 0 | 0 | 0 | 110.3 | F804 F835 D856 R858 L859 F868 | L802-F804 HydrophobicContact CB-CD2 3.68Å; L802-F804 HydrophobicContact CB-CE2 3.7Å; L802-F804 HydrophobicContact CD1-CE2 3.82Å; L802-F804 HydrophobicContact CG-CE2 4.43Å; L802-F804 PolarHBondContact O-N 2.85Å; L802-F835 HydrophobicContact CD2-CD2 4.21Å; L802-F835 HydrophobicContact CD2-CE2 4.16Å; L802-D856 HydrophobicContact CG-CB 4.03Å; L802-D856 PolarHBondContact N-OD2 2.89Å; L802-R858 HydrophobicContact CD1-CB 4.18Å; L802-L859 HydrophobicContact CD2-CD1 4.48Å; L802-F868 HydrophobicContact CD1-CE1 4.38Å; L802-F868 HydrophobicContact CD1-CE2 4.33Å; L802-F868 HydrophobicContact CD1-CZ 4.21Å; L802-F868 HydrophobicContact CD2-CD1 4.21Å; L802-F868 HydrophobicContact CD2-CE1 4.04Å | ||
| 803 | P | 86.6 | Confident | 85.9 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | trans | -78.3 | 51.2 | -168.4 | 34.4 | -38.7 | 0 | 0 | 0 | 112.9 | F784 R834 F835 | F784-P803 HydrophobicContact CD1-CB 4.44Å; F784-P803 HydrophobicContact CD1-CG 4.4Å; F784-P803 HydrophobicContact CE1-CB 4.15Å; F784-P803 HydrophobicContact CE1-CG 4.03Å; F784-P803 HydrophobicContact CE2-CB 4.24Å; F784-P803 HydrophobicContact CZ-CB 4.02Å; F784-P803 HydrophobicContact CZ-CG 4.32Å; P803-R834 HydrophobicContact CB-CB 4.41Å; P803-R834 HydrophobicContact CG-CB 4.18Å; P803-F835 HydrophobicContact CG-CB 4.23Å | ||
| 804 | F | 88.6 | Confident | 87.3 | Confident | 31 Ų | 31 | 29.2 Ų | 29.2 | 14% | 0.136 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 136.7 | 173.4 | -75 | -77 | 0 | 0 | 0 | 111.1 | L802 F823 V827 L828 A831 Y864 F868 | L802-F804 HydrophobicContact CB-CD2 3.68Å; L802-F804 HydrophobicContact CB-CE2 3.7Å; L802-F804 HydrophobicContact CD1-CE2 3.82Å; L802-F804 HydrophobicContact CG-CE2 4.43Å; L802-F804 PolarHBondContact O-N 2.85Å; F804-F823 AromaticContact CD1-CE2 3.96Å; F804-F823 HydrophobicContact CD1-CE2 3.96Å; F804-F823 HydrophobicContact CD1-CZ 4.36Å; F804-F823 AromaticContact CE1-CE2 3.9Å; F804-F823 HydrophobicContact CE1-CE2 3.9Å; F804-F823 AromaticContact CE1-CZ 3.83Å; F804-F823 HydrophobicContact CE1-CZ 3.83Å; F804-F823 HydrophobicContact CZ-CZ 4.42Å; F804-V827 HydrophobicContact CD1-CG1 4.08Å; F804-L828 HydrophobicContact CE1-CD1 3.89Å; F804-L828 HydrophobicContact CZ-CD1 4.06Å; F804-A831 HydrophobicContact CD1-CB 3.6Å; F804-A831 HydrophobicContact CE1-CB 3.75Å; F804-A831 HydrophobicContact CG-CB 4.09Å; F804-A831 HydrophobicContact CZ-CB 4.35Å; F804-Y864 HydrophobicContact CE1-CE2 4.42Å; F804-Y864 AromaticContact CE2-CE2 3.77Å; F804-Y864 HydrophobicContact CE2-CE2 3.77Å; F804-Y864 AromaticContact CZ-CD2 3.97Å; F804-Y864 HydrophobicContact CZ-CD2 3.97Å; F804-Y864 AromaticContact CZ-CE2 3.35Å; F804-Y864 HydrophobicContact CZ-CE2 3.35Å; F804-Y864 AromaticContact CZ-CZ 3.7Å; F804-F868 HydrophobicContact CE1-CZ 4.39Å; F804-F868 HydrophobicContact CE2-CE2 4.23Å; F804-F868 AromaticContact CE2-CZ 3.99Å; F804-F868 HydrophobicContact CE2-CZ 3.99Å; F804-F868 AromaticContact CZ-CE2 3.68Å; F804-F868 HydrophobicContact CZ-CE2 3.68Å; F804-F868 AromaticContact CZ-CZ 3.66Å; F804-F868 HydrophobicContact CZ-CZ 3.66Å |
| 805 | M | 85.7 | Confident | 88.4 | Confident | 24 Ų | 24 | 28.7 Ų | 28.7 | 12% | 0.118 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -62 | 133.7 | 167.7 | -167.2 | -179.2 | -56.6 | 0 | 0 | 110.2 | N809 K811 Y812 Y826 V827 | M805-N809 HydrophobicContact CG-CB 3.54Å; M805-N809 HydrophobicContact SD-CB 4.1Å; M805-K811 HydrophobicContact CE-CB 4.12Å; M805-K811 HydrophobicContact CE-CD 4.45Å; M805-K811 HydrophobicContact SD-CB 3.76Å; M805-Y812 PolarHBondContact SD-N 3.41Å; M805-Y812 VanDerWaalsContact SD-N 3.4Å; M805-Y826 HydrophobicContact CE-CE1 3.91Å; M805-Y826 HydrophobicContact SD-CE1 4.39Å; M805-V827 HydrophobicContact CB-CG1 4Å |
| 806 | N | 82.5 | Confident | 89.1 | Confident | 63 Ų | 63 | 31.9 Ų | 31.9 | 34% | 0.337 | 15% | 0.15 | S | C | . | . | P | Polyproline II helix | trans | -64.8 | 143.1 | 174.1 | -171.1 | -27.5 | 0 | 0 | 0 | 109.7 | D542 H808 N809 | D542-N806 PolarHBondContact OD2-ND2 3.01Å; N806-H808 PolarHBondContact O-N 3.14Å; N806-H808 PolarHBondContact OD1-N 3.44Å; N806-N809 HydrophobicContact CB-CB 4.48Å; N806-N809 WeakPolarHBondContact O-CB 3.45Å; N806-N809 PolarHBondContact O-N 3.37Å |
| 807 | K | 83.6 | Confident | 89.2 | Confident | 141 Ų | 141 | 35.4 Ų | 35.4 | 61% | 0.613 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.5 | 172.8 | 67.8 | -179.1 | -170.2 | 173.6 | 0 | 113.1 | N809 Y812 | K807-N809 VanDerWaalsContact C-N 3.31Å; K807-Y812 HydrophobicContact CB-CE2 4.49Å |
| 808 | H | 83.9 | Confident | 89.4 | Confident | 43 Ų | 43 | 36 Ų | 36 | 20% | 0.199 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 11.4 | 175 | -58.6 | -59.4 | 0 | 0 | 0 | 113.1 | Y539 F550 N806 | Y539-H808 AromaticContact CD1-CD2 3.79Å; Y539-H808 AromaticContact CD1-CE1 3.13Å; Y539-H808 WeakPolarHBondContact CD1-CE1 3.23Å; Y539-H808 AromaticContact CD1-CG 3.77Å; Y539-H808 AromaticContact CD1-ND1 3.38Å; Y539-H808 WeakPolarHBondContact CD1-ND1 3.1Å; Y539-H808 AromaticContact CD1-NE2 3.42Å; Y539-H808 WeakPolarHBondContact CD1-NE2 3.35Å; Y539-H808 AromaticContact CE1-CE1 3.22Å; Y539-H808 WeakPolarHBondContact CE1-CE1 3.17Å; Y539-H808 AromaticContact CE1-ND1 3.85Å; Y539-H808 AromaticContact CE1-NE2 3.68Å; Y539-H808 HydrophobicContact CG-CB 4.49Å; Y539-H808 AromaticContact CG-CE1 3.77Å; Y539-H808 AromaticContact CG-CG 3.93Å; Y539-H808 AromaticContact CG-ND1 3.53Å; Y539-H808 AromaticContact CZ-CE1 3.94Å; F550-H808 HydrophobicContact CE2-CB 4.11Å; F550-H808 VanDerWaalsContact CZ-O 3.31Å; F550-H808 WeakPolarHBondContact CZ-O 3.49Å; N806-H808 PolarHBondContact O-N 3.14Å; N806-H808 PolarHBondContact OD1-N 3.44Å |
| 809 | N | 86.4 | Confident | 89.3 | Confident | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -74.3 | 136.1 | 169.9 | -171.5 | -80.2 | 0 | 0 | 0 | 109.6 | M805 N806 K807 K811 Y812 W813 | M805-N809 HydrophobicContact CG-CB 3.54Å; M805-N809 HydrophobicContact SD-CB 4.1Å; N806-N809 HydrophobicContact CB-CB 4.48Å; N806-N809 WeakPolarHBondContact O-CB 3.45Å; N806-N809 PolarHBondContact O-N 3.37Å; K807-N809 VanDerWaalsContact C-N 3.31Å; N809-K811 VanDerWaalsContact C-N 3.25Å; N809-K811 PolarHBondContact O-N 2.82Å; N809-K811 VanDerWaalsContact OD1-CB 3.31Å; N809-K811 WeakPolarHBondContact OD1-CB 3.29Å; N809-K811 PolarHBondContact OD1-N 3.28Å; N809-Y812 WeakPolarHBondContact O-CB 3.32Å; N809-Y812 PolarHBondContact O-N 3.26Å; N809-W813 PolarHBondContact O-N 2.82Å; N809-W813 VanDerWaalsContact O-N 3.15Å |
| 810 | A | 90.2 | Very high | 89.4 | Confident | 21 Ų | 21 | 43.7 Ų | 43.7 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54 | -39.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F611 Y812 W813 L814 | F611-A810 HydrophobicContact CE1-CB 4.07Å; F611-A810 HydrophobicContact CE2-CB 3.86Å; F611-A810 HydrophobicContact CZ-CB 3.5Å; F611-A810 VanDerWaalsContact CZ-CB 3.5Å; A810-Y812 VanDerWaalsContact C-N 3.34Å; A810-Y812 PolarHBondContact O-N 3.34Å; A810-W813 PolarHBondContact O-N 2.78Å; A810-L814 VanDerWaalsContact O-CG 3.26Å; A810-L814 WeakPolarHBondContact O-CG 3.4Å; A810-L814 PolarHBondContact O-N 3.16Å |
| 811 | K | 90.5 | Very high | 89.5 | Confident | 58 Ų | 58 | 45.5 Ų | 45.5 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.5 | -37.2 | 177.7 | -65.3 | -171.9 | 176 | -169.9 | 0 | 112.4 | D455 L458 M805 N809 W813 M815 | D455-K811 VanDerWaalsContact CG-NZ 3.27Å; D455-K811 IonicContact OD1-NZ 3.36Å; D455-K811 PolarHBondContact OD1-NZ 3.16Å; D455-K811 IonicContact OD2-NZ 3.07Å; L458-K811 HydrophobicContact CD2-CB 4.15Å; L458-K811 HydrophobicContact CD2-CD 4.49Å; L458-K811 HydrophobicContact CD2-CG 3.92Å; M805-K811 HydrophobicContact CE-CB 4.12Å; M805-K811 HydrophobicContact CE-CD 4.45Å; M805-K811 HydrophobicContact SD-CB 3.76Å; N809-K811 VanDerWaalsContact C-N 3.25Å; N809-K811 PolarHBondContact O-N 2.82Å; N809-K811 VanDerWaalsContact OD1-CB 3.31Å; N809-K811 WeakPolarHBondContact OD1-CB 3.29Å; N809-K811 PolarHBondContact OD1-N 3.28Å; K811-W813 VanDerWaalsContact C-N 3.34Å; K811-M815 VanDerWaalsContact O-CB 3.28Å; K811-M815 WeakPolarHBondContact O-CB 3.39Å; K811-M815 WeakPolarHBondContact O-CG 3.17Å; K811-M815 PolarHBondContact O-N 3.04Å |
| 812 | Y | 92.6 | Very high | 89.8 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 18% | 0.18 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -53.2 | 174.5 | -171 | -61.4 | 0 | 0 | 0 | 108.7 | M805 K807 N809 A810 L814 M815 D816 T822 V827 | M805-Y812 PolarHBondContact SD-N 3.41Å; M805-Y812 VanDerWaalsContact SD-N 3.4Å; K807-Y812 HydrophobicContact CB-CE2 4.49Å; N809-Y812 WeakPolarHBondContact O-CB 3.32Å; N809-Y812 PolarHBondContact O-N 3.26Å; A810-Y812 VanDerWaalsContact C-N 3.34Å; A810-Y812 PolarHBondContact O-N 3.34Å; Y812-L814 PolarHBondContact O-N 3.38Å; Y812-M815 PolarHBondContact O-N 3.14Å; Y812-D816 PolarHBondContact O-N 2.76Å; Y812-D816 VanDerWaalsContact O-N 3.12Å; Y812-T822 HydrophobicContact CD1-CG2 4.22Å; Y812-T822 HydrophobicContact CE1-CG2 3.98Å; Y812-V827 HydrophobicContact CD2-CG2 3.49Å; Y812-V827 VanDerWaalsContact CD2-CG2 3.49Å; Y812-V827 HydrophobicContact CE2-CG2 3.59Å; Y812-V827 HydrophobicContact CG-CG2 4.41Å |
| 813 | W | 93.4 | Very high | 90 | Very high | 73 Ų | 73 | 46.3 Ų | 46.3 | 28% | 0.277 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.3 | -48.9 | -178.4 | 179.4 | -107.1 | 0 | 0 | 0 | 112.7 | F550 T551 T609 S610 N809 A810 K811 M815 D816 | F550-W813 HydrophobicContact CB-CD2 4.03Å; F550-W813 HydrophobicContact CB-CE3 4.08Å; F550-W813 HydrophobicContact CB-CH2 3.92Å; F550-W813 HydrophobicContact CB-CZ2 3.84Å; F550-W813 HydrophobicContact CB-CZ3 4.04Å; F550-W813 HydrophobicContact CD1-CB 3.82Å; F550-W813 AromaticContact CD1-CD1 3.51Å; F550-W813 AromaticContact CD1-CD2 3.45Å; F550-W813 HydrophobicContact CD1-CD2 3.45Å; F550-W813 VanDerWaalsContact CD1-CD2 3.45Å; F550-W813 AromaticContact CD1-CE2 3.74Å; F550-W813 HydrophobicContact CD1-CE3 4.05Å; F550-W813 AromaticContact CD1-CG 3.31Å; F550-W813 HydrophobicContact CD1-CG 3.31Å; F550-W813 AromaticContact CD1-NE1 3.72Å; F550-W813 HydrophobicContact CE1-CB 3.58Å; F550-W813 AromaticContact CE1-CD1 3.89Å; F550-W813 HydrophobicContact CE1-CD2 4.17Å; F550-W813 AromaticContact CE1-CG 3.6Å; F550-W813 HydrophobicContact CE1-CG 3.6Å; F550-W813 AromaticContact CG-CD2 3.96Å; F550-W813 HydrophobicContact CG-CD2 3.96Å; F550-W813 HydrophobicContact CG-CE3 4.13Å; F550-W813 HydrophobicContact CG-CG 4.26Å; F550-W813 HydrophobicContact CZ-CB 4.4Å; F550-W813 VanDerWaalsContact O-CZ2 3.25Å; F550-W813 WeakPolarHBondContact O-CZ2 3.49Å; T551-W813 HydrophobicContact CG2-CH2 4.42Å; T609-W813 HydrophobicContact CG2-CG 4.44Å; S610-W813 PolarHBondContact O-NE1 3.35Å; N809-W813 PolarHBondContact O-N 2.82Å; N809-W813 VanDerWaalsContact O-N 3.15Å; A810-W813 PolarHBondContact O-N 2.78Å; K811-W813 VanDerWaalsContact C-N 3.34Å; W813-M815 VanDerWaalsContact C-N 3.33Å; W813-M815 PolarHBondContact O-N 2.83Å; W813-D816 WeakPolarHBondContact O-CB 3.47Å; W813-D816 PolarHBondContact O-N 2.96Å |
| 814 | L | 94.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.8 | -29.1 | -177.6 | -64 | 174.2 | 0 | 0 | 0 | 113.1 | L458 T462 T609 F611 K628 A810 Y812 | L458-L814 HydrophobicContact CD1-CB 3.72Å; L458-L814 HydrophobicContact CD1-CD1 4.02Å; L458-L814 HydrophobicContact CG-CD1 4.44Å; T462-L814 HydrophobicContact CG2-CD1 4.1Å; T609-L814 HydrophobicContact CG2-CD2 4.34Å; F611-L814 HydrophobicContact CD1-CD2 3.93Å; F611-L814 HydrophobicContact CD1-CG 4.38Å; F611-L814 HydrophobicContact CE1-CD1 3.97Å; F611-L814 HydrophobicContact CE1-CD2 3.88Å; F611-L814 HydrophobicContact CE1-CG 4.01Å; K628-L814 HydrophobicContact CB-CD2 4.01Å; K628-L814 HydrophobicContact CD-CB 4.41Å; K628-L814 WeakPolarHBondContact CD-O 3.42Å; K628-L814 WeakPolarHBondContact CE-O 3.44Å; K628-L814 PolarHBondContact NZ-O 3.47Å; A810-L814 VanDerWaalsContact O-CG 3.26Å; A810-L814 WeakPolarHBondContact O-CG 3.4Å; A810-L814 PolarHBondContact O-N 3.16Å; Y812-L814 PolarHBondContact O-N 3.38Å |
| 815 | M | 93.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -86.6 | -6.7 | 178.5 | -65.8 | -63.6 | -64.8 | 0 | 0 | 113 | L458 V632 K811 Y812 W813 S817 E818 F819 Y826 | L458-M815 HydrophobicContact CB-SD 4.43Å; L458-M815 HydrophobicContact CD1-SD 3.92Å; L458-M815 HydrophobicContact CD2-CG 4.06Å; L458-M815 HydrophobicContact CD2-SD 4.13Å; L458-M815 HydrophobicContact CG-SD 4.39Å; V632-M815 HydrophobicContact CB-CE 4.41Å; V632-M815 HydrophobicContact CB-SD 4.29Å; V632-M815 HydrophobicContact CG1-CE 4.34Å; V632-M815 HydrophobicContact CG1-SD 4.47Å; V632-M815 HydrophobicContact CG2-CE 4.46Å; V632-M815 HydrophobicContact CG2-SD 3.72Å; K811-M815 VanDerWaalsContact O-CB 3.28Å; K811-M815 WeakPolarHBondContact O-CB 3.39Å; K811-M815 WeakPolarHBondContact O-CG 3.17Å; K811-M815 PolarHBondContact O-N 3.04Å; Y812-M815 PolarHBondContact O-N 3.14Å; W813-M815 VanDerWaalsContact C-N 3.33Å; W813-M815 PolarHBondContact O-N 2.83Å; M815-S817 VanDerWaalsContact C-N 3.28Å; M815-S817 PolarHBondContact O-N 2.79Å; M815-E818 HydrophobicContact CE-CB 4.28Å; M815-E818 HydrophobicContact CE-CG 3.93Å; M815-E818 WeakPolarHBondContact O-CB 3.48Å; M815-E818 PolarHBondContact O-N 2.64Å; M815-E818 HydrophobicContact SD-CG 4.19Å; M815-F819 HydrophobicContact CB-CE2 4.47Å; M815-F819 HydrophobicContact CE-CE2 3.63Å; M815-F819 HydrophobicContact CE-CZ 4.12Å; M815-F819 WeakPolarHBondContact O-CD2 3.31Å; M815-Y826 HydrophobicContact CB-CD1 3.89Å; M815-Y826 HydrophobicContact CB-CE1 3.83Å; M815-Y826 HydrophobicContact CE-CD2 4.31Å; M815-Y826 HydrophobicContact CE-CE2 4.15Å; M815-Y826 HydrophobicContact CG-CD1 4.17Å; M815-Y826 HydrophobicContact CG-CE1 3.63Å; M815-Y826 HydrophobicContact CG-CE2 4.43Å |
| 816 | D | 93.3 | Very high | 90.5 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 40% | 0.401 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -61.5 | -38.2 | -173.8 | -162.8 | 65.7 | 0 | 0 | 0 | 112.6 | Y812 W813 E818 T822 | Y812-D816 PolarHBondContact O-N 2.76Å; Y812-D816 VanDerWaalsContact O-N 3.12Å; W813-D816 WeakPolarHBondContact O-CB 3.47Å; W813-D816 PolarHBondContact O-N 2.96Å; D816-E818 PolarHBondContact O-N 3.23Å; D816-T822 VanDerWaalsContact CA-OG1 3.3Å; D816-T822 WeakPolarHBondContact CA-OG1 3.32Å; D816-T822 PolarHBondContact O-OG1 2.9Å; D816-T822 WeakPolarHBondContact OD1-CB 3.31Å; D816-T822 PolarHBondContact OD1-OG1 3.47Å |
| 817 | S | 91.3 | Very high | 90.9 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -71.7 | -8.1 | 176.9 | 50.9 | 0 | 0 | 0 | 0 | 115.1 | K628 M815 | K628-S817 PolarHBondContact NZ-OG 3.39Å; M815-S817 VanDerWaalsContact C-N 3.28Å; M815-S817 PolarHBondContact O-N 2.79Å |
| 818 | E | 91.8 | Very high | 91.4 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -86.9 | -17.9 | -179.4 | -61.4 | -66.2 | 152.8 | 0 | 0 | 113.3 | K628 A631 V632 K633 M815 D816 | K628-E818 WeakPolarHBondContact CE-OE1 3.38Å; K628-E818 IonicContact NZ-OE1 2.89Å; K628-E818 PolarHBondContact NZ-OE1 3.31Å; A631-E818 WeakPolarHBondContact CA-OE1 3.37Å; V632-E818 HydrophobicContact CB-CG 4.34Å; V632-E818 PolarHBondContact N-OE1 3.25Å; K633-E818 VanDerWaalsContact CE-O 3.28Å; K633-E818 WeakPolarHBondContact CE-O 3.42Å; K633-E818 VanDerWaalsContact CG-OE2 3.28Å; K633-E818 WeakPolarHBondContact CG-OE2 3.36Å; K633-E818 PolarHBondContact N-OE2 3.46Å; K633-E818 PolarHBondContact NZ-O 2.99Å; M815-E818 HydrophobicContact CE-CB 4.28Å; M815-E818 HydrophobicContact CE-CG 3.93Å; M815-E818 WeakPolarHBondContact O-CB 3.48Å; M815-E818 PolarHBondContact O-N 2.64Å; M815-E818 HydrophobicContact SD-CG 4.19Å; D816-E818 PolarHBondContact O-N 3.23Å |
| 819 | F | 91.4 | Very high | 91.7 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | trans | -133.6 | 156.6 | -168.2 | -58.2 | -74.9 | 0 | 0 | 0 | 111.9 | L666 M815 E825 Y826 | L666-F819 HydrophobicContact CD2-CZ 4Å; M815-F819 HydrophobicContact CB-CE2 4.47Å; M815-F819 HydrophobicContact CE-CE2 3.63Å; M815-F819 HydrophobicContact CE-CZ 4.12Å; M815-F819 WeakPolarHBondContact O-CD2 3.31Å; F819-E825 HydrophobicContact CB-CB 4.1Å; F819-E825 HydrophobicContact CD1-CB 3.54Å; F819-E825 HydrophobicContact CD1-CG 4.4Å; F819-E825 HydrophobicContact CE1-CB 4.16Å; F819-E825 HydrophobicContact CG-CB 3.92Å; F819-Y826 HydrophobicContact CE2-CD2 4.13Å; F819-Y826 AromaticContact CE2-CG 3.9Å; F819-Y826 HydrophobicContact CE2-CG 3.9Å; F819-Y826 HydrophobicContact CZ-CD2 4.38Å; F819-Y826 HydrophobicContact CZ-CG 4.49Å | ||
| 820 | T | 91.6 | Very high | 91.7 | Very high | 144 Ų | 144 | 43.6 Ų | 43.6 | 88% | 0.883 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -76 | -36.4 | 172.4 | -57.8 | 0 | 0 | 0 | 0 | 110.3 | E825 | T820-E825 PolarHBondContact N-OE1 3.35Š|
| 821 | S | 93 | Very high | 91.7 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | trans | -133.2 | 93.3 | 170.7 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | F823 K824 E825 | S821-F823 PolarHBondContact O-N 2.95Å; S821-F823 VanDerWaalsContact O-N 3.13Å; S821-K824 PolarHBondContact O-N 3.14Å; S821-K824 WeakPolarHBondContact OG-CG 3.5Å; S821-E825 PolarHBondContact N-OE1 2.87Å; S821-E825 WeakPolarHBondContact O-CB 3.4Å; S821-E825 PolarHBondContact O-N 3.22Å | ||
| 822 | T | 92.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -49.6 | -40.1 | 176.1 | -41.4 | 0 | 0 | 0 | 0 | 112.4 | Y812 D816 Y826 V827 | Y812-T822 HydrophobicContact CD1-CG2 4.22Å; Y812-T822 HydrophobicContact CE1-CG2 3.98Å; D816-T822 VanDerWaalsContact CA-OG1 3.3Å; D816-T822 WeakPolarHBondContact CA-OG1 3.32Å; D816-T822 PolarHBondContact O-OG1 2.9Å; D816-T822 WeakPolarHBondContact OD1-CB 3.31Å; D816-T822 PolarHBondContact OD1-OG1 3.47Å; T822-Y826 HydrophobicContact CG2-CD1 4.43Å; T822-Y826 WeakPolarHBondContact O-CB 3.3Å; T822-Y826 PolarHBondContact O-N 3.21Å; T822-Y826 VanDerWaalsContact O-N 3.08Å; T822-V827 HydrophobicContact CG2-CG2 4.49Å; T822-V827 PolarHBondContact O-N 2.96Å |
| 823 | F | 92.9 | Very high | 91.2 | Very high | 63 Ų | 63 | 39 Ų | 39 | 28% | 0.276 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -61.5 | -50.2 | 176.3 | -179 | -96.1 | 0 | 0 | 0 | 112.3 | F804 S821 V827 L828 Y864 | F804-F823 AromaticContact CD1-CE2 3.96Å; F804-F823 HydrophobicContact CD1-CE2 3.96Å; F804-F823 HydrophobicContact CD1-CZ 4.36Å; F804-F823 AromaticContact CE1-CE2 3.9Å; F804-F823 HydrophobicContact CE1-CE2 3.9Å; F804-F823 AromaticContact CE1-CZ 3.83Å; F804-F823 HydrophobicContact CE1-CZ 3.83Å; F804-F823 HydrophobicContact CZ-CZ 4.42Å; S821-F823 PolarHBondContact O-N 2.95Å; S821-F823 VanDerWaalsContact O-N 3.13Å; F823-V827 HydrophobicContact CD2-CB 4.36Å; F823-V827 HydrophobicContact CD2-CG1 4.19Å; F823-V827 HydrophobicContact CE2-CG1 4.42Å; F823-L828 HydrophobicContact CE1-CB 4.45Å; F823-L828 WeakPolarHBondContact O-CB 3.42Å; F823-L828 PolarHBondContact O-N 3.32Å; F823-Y864 AromaticContact CE1-CD1 3.89Å; F823-Y864 HydrophobicContact CE1-CD1 3.89Å; F823-Y864 HydrophobicContact CE1-CE1 4Å; F823-Y864 AromaticContact CZ-CD1 3.98Å; F823-Y864 HydrophobicContact CZ-CD1 3.98Å; F823-Y864 AromaticContact CZ-CE1 3.67Å; F823-Y864 HydrophobicContact CZ-CE1 3.67Å |
| 824 | K | 91.3 | Very high | 90.7 | Very high | 142 Ų | 142 | 37.4 Ų | 37.4 | 62% | 0.617 | 20% | 0.199 | S | C | * | . | I | π-helix | trans | -75.3 | -38.5 | -174.5 | -68.6 | 179.9 | -179.9 | 178 | 0 | 112.8 | S821 P829 | S821-K824 PolarHBondContact O-N 3.14Å; S821-K824 WeakPolarHBondContact OG-CG 3.5Å; K824-P829 VanDerWaalsContact O-CD 3.28Å; K824-P829 WeakPolarHBondContact O-CD 3.48Å |
| 825 | E | 89.8 | Confident | 90.2 | Very high | 54 Ų | 54 | 37 Ų | 37 | 25% | 0.252 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -94.3 | -20.2 | -168.9 | -65.6 | 170.3 | -109.7 | 0 | 0 | 113.1 | F819 T820 S821 | F819-E825 HydrophobicContact CB-CB 4.1Å; F819-E825 HydrophobicContact CD1-CB 3.54Å; F819-E825 HydrophobicContact CD1-CG 4.4Å; F819-E825 HydrophobicContact CE1-CB 4.16Å; F819-E825 HydrophobicContact CG-CB 3.92Å; T820-E825 PolarHBondContact N-OE1 3.35Å; S821-E825 PolarHBondContact N-OE1 2.87Å; S821-E825 WeakPolarHBondContact O-CB 3.4Å; S821-E825 PolarHBondContact O-N 3.22Å |
| 826 | Y | 90.1 | Very high | 89.6 | Confident | 23 Ų | 23 | 40 Ų | 40 | 9% | 0.09 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -127.6 | -55.6 | -176.8 | 179.3 | -116.5 | 0 | 0 | 0 | 113.4 | M805 M815 F819 T822 P829 D830 | M805-Y826 HydrophobicContact CE-CE1 3.91Å; M805-Y826 HydrophobicContact SD-CE1 4.39Å; M815-Y826 HydrophobicContact CB-CD1 3.89Å; M815-Y826 HydrophobicContact CB-CE1 3.83Å; M815-Y826 HydrophobicContact CE-CD2 4.31Å; M815-Y826 HydrophobicContact CE-CE2 4.15Å; M815-Y826 HydrophobicContact CG-CD1 4.17Å; M815-Y826 HydrophobicContact CG-CE1 3.63Å; M815-Y826 HydrophobicContact CG-CE2 4.43Å; F819-Y826 HydrophobicContact CE2-CD2 4.13Å; F819-Y826 AromaticContact CE2-CG 3.9Å; F819-Y826 HydrophobicContact CE2-CG 3.9Å; F819-Y826 HydrophobicContact CZ-CD2 4.38Å; F819-Y826 HydrophobicContact CZ-CG 4.49Å; T822-Y826 HydrophobicContact CG2-CD1 4.43Å; T822-Y826 WeakPolarHBondContact O-CB 3.3Å; T822-Y826 PolarHBondContact O-N 3.21Å; T822-Y826 VanDerWaalsContact O-N 3.08Å; Y826-P829 WeakPolarHBondContact O-CD 3.47Å; Y826-D830 WeakPolarHBondContact O-CB 3.41Å; Y826-D830 PolarHBondContact O-N 2.93Å |
| 827 | V | 91.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -70.9 | -42.2 | -172.1 | 175.5 | 0 | 0 | 0 | 0 | 112.6 | F804 M805 Y812 T822 F823 A831 | F804-V827 HydrophobicContact CD1-CG1 4.08Å; M805-V827 HydrophobicContact CB-CG1 4Å; Y812-V827 HydrophobicContact CD2-CG2 3.49Å; Y812-V827 VanDerWaalsContact CD2-CG2 3.49Å; Y812-V827 HydrophobicContact CE2-CG2 3.59Å; Y812-V827 HydrophobicContact CG-CG2 4.41Å; T822-V827 HydrophobicContact CG2-CG2 4.49Å; T822-V827 PolarHBondContact O-N 2.96Å; F823-V827 HydrophobicContact CD2-CB 4.36Å; F823-V827 HydrophobicContact CD2-CG1 4.19Å; F823-V827 HydrophobicContact CE2-CG1 4.42Å; V827-A831 VanDerWaalsContact O-CB 3.31Å; V827-A831 WeakPolarHBondContact O-CB 3.31Å; V827-A831 PolarHBondContact O-N 3.04Å |
| 828 | L | 92.6 | Very high | 87.9 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.7 | -48 | 177.5 | 172.3 | 66.7 | 0 | 0 | 0 | 111.8 | F656 F804 F823 D830 A831 V832 Y864 F867 F868 | F656-L828 HydrophobicContact CE2-CG 4.24Å; F656-L828 HydrophobicContact CZ-CD2 4Å; F656-L828 HydrophobicContact CZ-CG 3.96Å; F804-L828 HydrophobicContact CE1-CD1 3.89Å; F804-L828 HydrophobicContact CZ-CD1 4.06Å; F823-L828 HydrophobicContact CE1-CB 4.45Å; F823-L828 WeakPolarHBondContact O-CB 3.42Å; F823-L828 PolarHBondContact O-N 3.32Å; L828-D830 PolarHBondContact O-N 2.95Å; L828-A831 PolarHBondContact O-N 3.01Å; L828-V832 HydrophobicContact CD1-CG2 4.07Å; L828-V832 WeakPolarHBondContact O-CG2 3.25Å; L828-V832 PolarHBondContact O-N 3.31Å; L828-Y864 HydrophobicContact CD1-CD2 4.02Å; L828-Y864 HydrophobicContact CD1-CG 4.06Å; L828-F867 HydrophobicContact CD2-CD2 3.73Å; L828-F867 HydrophobicContact CD2-CE2 3.8Å; L828-F867 HydrophobicContact CG-CD2 4.46Å; L828-F868 HydrophobicContact CD1-CE2 3.81Å; L828-F868 HydrophobicContact CD1-CZ 4.41Å |
| 829 | P | 90.2 | Very high | 87.1 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 10% | 0.097 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.7 | -42.5 | 172.2 | -29.3 | 36.1 | 0 | 0 | 0 | 114.3 | F656 K824 Y826 T833 | F656-P829 HydrophobicContact CB-CB 4.42Å; F656-P829 HydrophobicContact CD1-CB 4.48Å; F656-P829 HydrophobicContact CD1-CG 3.94Å; F656-P829 HydrophobicContact CD2-CB 3.86Å; F656-P829 HydrophobicContact CD2-CG 4Å; F656-P829 HydrophobicContact CE1-CG 3.97Å; F656-P829 HydrophobicContact CE2-CB 4.22Å; F656-P829 HydrophobicContact CE2-CG 4.02Å; F656-P829 HydrophobicContact CG-CB 4Å; F656-P829 HydrophobicContact CG-CG 3.96Å; F656-P829 HydrophobicContact CZ-CG 4.01Å; K824-P829 VanDerWaalsContact O-CD 3.28Å; K824-P829 WeakPolarHBondContact O-CD 3.48Å; Y826-P829 WeakPolarHBondContact O-CD 3.47Å; P829-T833 VanDerWaalsContact O-CB 3.29Å; P829-T833 WeakPolarHBondContact O-CB 3.4Å; P829-T833 PolarHBondContact O-N 3.12Å; P829-T833 PolarHBondContact O-OG1 3.43Å |
| 830 | D | 88 | Confident | 85.9 | Confident | 27 Ų | 27 | 34.1 Ų | 34.1 | 14% | 0.144 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -48 | 175 | 178 | 53.5 | 0 | 0 | 0 | 111.1 | Y826 L828 V832 T833 R834 | Y826-D830 WeakPolarHBondContact O-CB 3.41Å; Y826-D830 PolarHBondContact O-N 2.93Å; L828-D830 PolarHBondContact O-N 2.95Å; D830-V832 PolarHBondContact O-N 3.28Å; D830-T833 WeakPolarHBondContact O-CB 3.12Å; D830-T833 PolarHBondContact O-N 2.94Å; D830-R834 VanDerWaalsContact CG-NE 3.32Å; D830-R834 WeakPolarHBondContact O-CG 3.12Å; D830-R834 PolarHBondContact O-N 3.3Å; D830-R834 IonicContact OD1-CZ 2.64Å; D830-R834 IonicContact OD1-NE 2.96Å; D830-R834 PolarHBondContact OD1-NE 3.12Å; D830-R834 IonicContact OD1-NH2 2.74Å; D830-R834 PolarHBondContact OD1-NH2 3.44Å; D830-R834 IonicContact OD2-CZ 2.7Å; D830-R834 VanDerWaalsContact OD2-CZ 3.23Å; D830-R834 IonicContact OD2-NE 3.27Å; D830-R834 PolarHBondContact OD2-NE 3.36Å; D830-R834 IonicContact OD2-NH2 3.89Å; D830-R834 PolarHBondContact OD2-NH2 3.11Å |
| 831 | A | 89.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F804 V827 L828 F835 F868 | F804-A831 HydrophobicContact CD1-CB 3.6Å; F804-A831 HydrophobicContact CE1-CB 3.75Å; F804-A831 HydrophobicContact CG-CB 4.09Å; F804-A831 HydrophobicContact CZ-CB 4.35Å; V827-A831 VanDerWaalsContact O-CB 3.31Å; V827-A831 WeakPolarHBondContact O-CB 3.31Å; V827-A831 PolarHBondContact O-N 3.04Å; L828-A831 PolarHBondContact O-N 3.01Å; A831-F835 VanDerWaalsContact O-CB 3.25Å; A831-F835 WeakPolarHBondContact O-CB 3.2Å; A831-F835 PolarHBondContact O-N 3.36Å; A831-F868 HydrophobicContact CB-CZ 4.24Å |
| 832 | V | 89 | Confident | 83.1 | Confident | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 176 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | F656 L828 D830 F835 R836 F867 F868 | F656-V832 HydrophobicContact CD2-CB 4.49Å; F656-V832 HydrophobicContact CE2-CB 4.26Å; F656-V832 HydrophobicContact CE2-CG2 4.1Å; L828-V832 HydrophobicContact CD1-CG2 4.07Å; L828-V832 WeakPolarHBondContact O-CG2 3.25Å; L828-V832 PolarHBondContact O-N 3.31Å; D830-V832 PolarHBondContact O-N 3.28Å; V832-F835 PolarHBondContact O-N 3.42Å; V832-R836 WeakPolarHBondContact O-CB 3.44Å; V832-R836 PolarHBondContact O-N 3.26Å; V832-F867 HydrophobicContact CG2-CB 4.01Å; V832-F868 HydrophobicContact CG2-CD1 4.17Å; V832-F868 HydrophobicContact CG2-CD2 4.05Å; V832-F868 HydrophobicContact CG2-CE1 3.89Å; V832-F868 HydrophobicContact CG2-CE2 3.76Å; V832-F868 HydrophobicContact CG2-CG 4.24Å; V832-F868 HydrophobicContact CG2-CZ 3.68Å |
| 833 | T | 84.1 | Confident | 81.6 | Confident | 20 Ų | 20 | 29.2 Ų | 29.2 | 12% | 0.123 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -49.4 | 176.7 | -65 | 0 | 0 | 0 | 0 | 111.7 | T653 P829 D830 F835 R836 Q837 | T653-T833 HydrophobicContact CG2-CG2 4.31Å; T653-T833 VanDerWaalsContact OG1-CG2 3.26Å; T653-T833 WeakPolarHBondContact OG1-CG2 3.38Å; P829-T833 VanDerWaalsContact O-CB 3.29Å; P829-T833 WeakPolarHBondContact O-CB 3.4Å; P829-T833 PolarHBondContact O-N 3.12Å; P829-T833 PolarHBondContact O-OG1 3.43Å; D830-T833 WeakPolarHBondContact O-CB 3.12Å; D830-T833 PolarHBondContact O-N 2.94Å; T833-F835 VanDerWaalsContact C-N 3.32Å; T833-F835 PolarHBondContact O-N 3.02Å; T833-R836 PolarHBondContact O-N 3.29Å; T833-Q837 HydrophobicContact CG2-CG 4.48Å; T833-Q837 WeakPolarHBondContact O-CB 3.3Å; T833-Q837 WeakPolarHBondContact O-CG 3.1Å; T833-Q837 PolarHBondContact O-N 3.19Å |
| 834 | R | 82.3 | Confident | 79.9 | Confident | 40 Ų | 40 | 32.2 Ų | 32.2 | 15% | 0.151 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 176.3 | -69.5 | -178.4 | -166.5 | -153.1 | 10.3 | 112.3 | E785 P803 D830 Q837 G838 | E785-R834 IonicContact OE1-NE 2.91Å; P803-R834 HydrophobicContact CB-CB 4.41Å; P803-R834 HydrophobicContact CG-CB 4.18Å; D830-R834 VanDerWaalsContact CG-NE 3.32Å; D830-R834 WeakPolarHBondContact O-CG 3.12Å; D830-R834 PolarHBondContact O-N 3.3Å; D830-R834 IonicContact OD1-CZ 2.64Å; D830-R834 IonicContact OD1-NE 2.96Å; D830-R834 PolarHBondContact OD1-NE 3.12Å; D830-R834 IonicContact OD1-NH2 2.74Å; D830-R834 PolarHBondContact OD1-NH2 3.44Å; D830-R834 IonicContact OD2-CZ 2.7Å; D830-R834 VanDerWaalsContact OD2-CZ 3.23Å; D830-R834 IonicContact OD2-NE 3.27Å; D830-R834 PolarHBondContact OD2-NE 3.36Å; D830-R834 IonicContact OD2-NH2 3.89Å; D830-R834 PolarHBondContact OD2-NH2 3.11Å; R834-Q837 PolarHBondContact O-N 3.14Å; R834-G838 PolarHBondContact O-N 3.15Å |
| 835 | F | 84.9 | Confident | 78.3 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.7 | -53 | 174 | -177 | -107.6 | 0 | 0 | 0 | 110.5 | I799 L802 P803 A831 V832 T833 Q837 G838 L839 L859 F868 T871 L872 | I799-F835 HydrophobicContact CD1-CD2 4.01Å; I799-F835 HydrophobicContact CD1-CE2 3.65Å; L802-F835 HydrophobicContact CD2-CD2 4.21Å; L802-F835 HydrophobicContact CD2-CE2 4.16Å; P803-F835 HydrophobicContact CG-CB 4.23Å; A831-F835 VanDerWaalsContact O-CB 3.25Å; A831-F835 WeakPolarHBondContact O-CB 3.2Å; A831-F835 PolarHBondContact O-N 3.36Å; V832-F835 PolarHBondContact O-N 3.42Å; T833-F835 VanDerWaalsContact C-N 3.32Å; T833-F835 PolarHBondContact O-N 3.02Å; F835-Q837 VanDerWaalsContact C-N 3.33Å; F835-Q837 PolarHBondContact O-N 2.84Å; F835-G838 PolarHBondContact O-N 2.89Å; F835-L839 HydrophobicContact CD1-CD1 4.08Å; F835-L839 HydrophobicContact CD1-CG 4.39Å; F835-L839 HydrophobicContact CE1-CD1 3.59Å; F835-L839 HydrophobicContact CE1-CG 4.22Å; F835-L839 HydrophobicContact CE2-CD2 4.26Å; F835-L839 HydrophobicContact CZ-CD1 3.86Å; F835-L839 HydrophobicContact CZ-CD2 4.26Å; F835-L839 HydrophobicContact CZ-CG 4.27Å; F835-L839 VanDerWaalsContact O-CG 3.31Å; F835-L839 WeakPolarHBondContact O-CG 3.21Å; F835-L839 PolarHBondContact O-N 2.66Å; F835-L859 HydrophobicContact CZ-CD1 4.48Å; F835-F868 HydrophobicContact CB-CD1 4.2Å; F835-F868 HydrophobicContact CB-CE1 3.96Å; F835-F868 AromaticContact CD1-CD1 3.66Å; F835-F868 HydrophobicContact CD1-CD1 3.66Å; F835-F868 HydrophobicContact CD1-CE1 4.29Å; F835-F868 HydrophobicContact CE1-CD1 4.08Å; F835-F868 AromaticContact CG-CD1 3.89Å; F835-F868 HydrophobicContact CG-CD1 3.89Å; F835-F868 HydrophobicContact CG-CE1 4.07Å; F835-T871 HydrophobicContact CD1-CG2 4.07Å; F835-T871 HydrophobicContact CE1-CG2 4.36Å; F835-L872 HydrophobicContact CE1-CD1 4.36Å; F835-L872 HydrophobicContact CE1-CD2 3.87Å; F835-L872 HydrophobicContact CE1-CG 4.03Å; F835-L872 HydrophobicContact CZ-CD1 4.33Å; F835-L872 HydrophobicContact CZ-CD2 4.02Å; F835-L872 HydrophobicContact CZ-CG 4.38Å |
| 836 | R | 80.5 | Confident | 76.7 | Confident | 62 Ų | 62 | 34 Ų | 34 | 23% | 0.234 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.7 | -44.2 | 176.9 | -177.5 | 161.5 | 63.3 | 150.5 | -7.6 | 112.7 | E275 T653 K655 V832 T833 L839 G840 T871 | E275-R836 IonicContact OE1-CZ 3.83Å; E275-R836 IonicContact OE1-NH1 3.93Å; E275-R836 PolarHBondContact OE1-NH1 3.47Å; E275-R836 IonicContact OE1-NH2 3.19Å; E275-R836 IonicContact OE2-CZ 3.5Å; E275-R836 IonicContact OE2-NH1 3.98Å; E275-R836 IonicContact OE2-NH2 3.06Å; E275-R836 PolarHBondContact OE2-NH2 2.89Å; T653-R836 HydrophobicContact CG2-CG 4.32Å; K655-R836 PolarHBondContact O-NH2 2.9Å; K655-R836 VanDerWaalsContact O-NH2 3.14Å; V832-R836 WeakPolarHBondContact O-CB 3.44Å; V832-R836 PolarHBondContact O-N 3.26Å; T833-R836 PolarHBondContact O-N 3.29Å; R836-L839 PolarHBondContact O-N 2.86Å; R836-G840 PolarHBondContact O-N 3.09Å; R836-T871 HydrophobicContact CB-CG2 3.59Å; R836-T871 HydrophobicContact CG-CG2 3.83Å |
| 837 | Q | 76.4 | Confident | 75.2 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 177.8 | -71.1 | -178.9 | 7.1 | 0 | 0 | 112.5 | H451 T653 T833 R834 F835 L839 G840 R841 | H451-Q837 PolarHBondContact CE1-NE2 3.41Å; H451-Q837 PolarHBondContact NE2-NE2 3.29Å; T653-Q837 HydrophobicContact CG2-CG 3.98Å; T653-Q837 PolarHBondContact OG1-NE2 3.32Å; T833-Q837 HydrophobicContact CG2-CG 4.48Å; T833-Q837 WeakPolarHBondContact O-CB 3.3Å; T833-Q837 WeakPolarHBondContact O-CG 3.1Å; T833-Q837 PolarHBondContact O-N 3.19Å; R834-Q837 PolarHBondContact O-N 3.14Å; F835-Q837 VanDerWaalsContact C-N 3.33Å; F835-Q837 PolarHBondContact O-N 2.84Å; Q837-L839 VanDerWaalsContact C-N 3.33Å; Q837-L839 PolarHBondContact O-N 2.63Å; Q837-G840 PolarHBondContact O-N 3.27Å; Q837-R841 WeakPolarHBondContact O-CG 3.49Å; Q837-R841 PolarHBondContact O-N 3.15Å |
| 838 | G | 73.2 | Confident | 73.9 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 13% | 0.134 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R834 F835 R841 | R834-G838 PolarHBondContact O-N 3.15Å; F835-G838 PolarHBondContact O-N 2.89Å; G838-R841 PolarHBondContact O-N 2.74Å |
| 839 | L | 74.4 | Confident | 73.1 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.9 | -43 | 176.5 | -63.8 | -164.9 | 0 | 0 | 0 | 113 | F835 R836 Q837 R841 L842 I852 T871 L872 Y875 | F835-L839 HydrophobicContact CD1-CD1 4.08Å; F835-L839 HydrophobicContact CD1-CG 4.39Å; F835-L839 HydrophobicContact CE1-CD1 3.59Å; F835-L839 HydrophobicContact CE1-CG 4.22Å; F835-L839 HydrophobicContact CE2-CD2 4.26Å; F835-L839 HydrophobicContact CZ-CD1 3.86Å; F835-L839 HydrophobicContact CZ-CD2 4.26Å; F835-L839 HydrophobicContact CZ-CG 4.27Å; F835-L839 VanDerWaalsContact O-CG 3.31Å; F835-L839 WeakPolarHBondContact O-CG 3.21Å; F835-L839 PolarHBondContact O-N 2.66Å; R836-L839 PolarHBondContact O-N 2.86Å; Q837-L839 VanDerWaalsContact C-N 3.33Å; Q837-L839 PolarHBondContact O-N 2.63Å; L839-R841 PolarHBondContact O-N 3.4Å; L839-L842 HydrophobicContact CD2-CD1 4.27Å; L839-L842 WeakPolarHBondContact O-CB 3.29Å; L839-L842 PolarHBondContact O-N 3.35Å; L839-I852 HydrophobicContact CD2-CD1 3.54Å; L839-I852 HydrophobicContact CD2-CG1 3.81Å; L839-I852 HydrophobicContact CD2-CG2 3.98Å; L839-I852 HydrophobicContact CG-CD1 4.45Å; L839-T871 HydrophobicContact CD1-CG2 4.14Å; L839-L872 HydrophobicContact CD1-CD2 3.41Å; L839-L872 VanDerWaalsContact CD1-CD2 3.41Å; L839-Y875 HydrophobicContact CD1-CE2 4.27Å |
| 840 | G | 66.3 | Low | 72.6 | Confident | 30 Ų | 30 | 43 Ų | 43 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.4 | -23.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R836 Q837 | R836-G840 PolarHBondContact O-N 3.09Å; Q837-G840 PolarHBondContact O-N 3.27Å |
| 841 | R | 63.4 | Low | 72.6 | Confident | 72 Ų | 72 | 41.8 Ų | 41.8 | 27% | 0.272 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -86.4 | -20.2 | -177.8 | -69.7 | 171.5 | 177.3 | -104.4 | -0.6 | 114.3 | G786 F787 Q837 G838 L839 I843 | G786-R841 VanDerWaalsContact N-NH1 3.17Å; G786-R841 VanDerWaalsContact N-NH2 3.17Å; F787-R841 PolarHBondContact O-NH1 2.85Å; F787-R841 VanDerWaalsContact O-NH1 3.1Å; Q837-R841 WeakPolarHBondContact O-CG 3.49Å; Q837-R841 PolarHBondContact O-N 3.15Å; G838-R841 PolarHBondContact O-N 2.74Å; L839-R841 PolarHBondContact O-N 3.4Å; R841-I843 PolarHBondContact O-N 3.43Å |
| 842 | L | 63.1 | Low | 72.5 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -61.2 | -28.8 | 173 | -89 | 143.3 | 0 | 0 | 0 | 112.6 | K795 V797 L839 I852 | K795-L842 HydrophobicContact CB-CD2 4.25Å; K795-L842 WeakPolarHBondContact CD-O 3.46Å; V797-L842 HydrophobicContact CB-CD1 3.88Å; V797-L842 HydrophobicContact CB-CD2 3.68Å; V797-L842 HydrophobicContact CB-CG 4.04Å; V797-L842 HydrophobicContact CG2-CD1 3.91Å; V797-L842 HydrophobicContact CG2-CD2 3.27Å; V797-L842 HydrophobicContact CG2-CG 3.56Å; L839-L842 HydrophobicContact CD2-CD1 4.27Å; L839-L842 WeakPolarHBondContact O-CB 3.29Å; L839-L842 PolarHBondContact O-N 3.35Å; L842-I852 HydrophobicContact CD1-CD1 3.95Å; L842-I852 HydrophobicContact CD1-CG1 3.38Å |
| 843 | I | 60.4 | Low | 72.7 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | trans | -123.5 | 103.3 | -172.6 | -48.8 | 168.4 | 0 | 0 | 0 | 107.8 | S684 T688 R841 D848 Y875 | S684-I843 WeakPolarHBondContact OG-CG2 3.4Å; T688-I843 HydrophobicContact CG2-CD1 3.97Å; T688-I843 HydrophobicContact CG2-CG1 4.49Å; T688-I843 WeakPolarHBondContact OG1-CD1 3.33Å; T688-I843 WeakPolarHBondContact OG1-CG1 3.49Å; R841-I843 PolarHBondContact O-N 3.43Å; I843-D848 HydrophobicContact CG2-CB 4.13Å; I843-Y875 HydrophobicContact CD1-CE1 3.93Å | ||
| 844 | R | 56.8 | Low | 73 | Confident | 126 Ų | 126 | 40.4 Ų | 40.4 | 48% | 0.475 | 19% | 0.193 | S | C | . | . | trans | -99.5 | -36.6 | 174.6 | -72.7 | -171.7 | 172.2 | -165.2 | 1.7 | 111.8 | D788 D848 | D788-R844 VanDerWaalsContact CB-NH2 3.29Å; D788-R844 IonicContact OD1-CZ 2.63Å; D788-R844 IonicContact OD1-NE 3.68Å; D788-R844 IonicContact OD1-NH1 3.18Å; D788-R844 PolarHBondContact OD1-NH1 3.5Å; D788-R844 IonicContact OD1-NH2 3.76Å; D788-R844 PolarHBondContact OD1-NH2 2.98Å; D788-R844 VanDerWaalsContact OD1-NH2 3.07Å; D788-R844 IonicContact OD2-CZ 3.92Å; D788-R844 IonicContact OD2-NH1 3.62Å; D788-R844 PolarHBondContact OD2-NH1 3.31Å; D788-R844 IonicContact OD2-NH2 2.78Å; D788-R844 PolarHBondContact OD2-NH2 3.4Å; R844-D848 PolarHBondContact N-OD2 3.35Å | ||
| 845 | N | 57.3 | Low | 73.5 | Confident | 99 Ų | 99 | 38.9 Ų | 38.9 | 53% | 0.529 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -111.3 | 153.2 | -178.1 | -56.8 | -39.5 | 0 | 0 | 0 | 111.7 | N847 D848 | N845-N847 PolarHBondContact O-N 2.88Å; N845-N847 VanDerWaalsContact O-N 3.16Å; N845-D848 PolarHBondContact N-OD2 3.08Å; N845-D848 WeakPolarHBondContact O-CB 3.3Å; N845-D848 PolarHBondContact O-N 2.9Å |
| 846 | E | 56.3 | Low | 73.7 | Confident | 134 Ų | 134 | 39 Ų | 39 | 63% | 0.626 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.3 | 175.3 | -65 | -177.3 | 162.8 | 0 | 0 | 113.1 | N687 | N687-E846 PolarHBondContact ND2-O 3.3Å; N687-E846 VanDerWaalsContact ND2-O 3.11Å |
| 847 | N | 59.8 | Low | 74 | Confident | 142 Ų | 142 | 38 Ų | 38 | 76% | 0.759 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -10.2 | 178.2 | -65.3 | -27.8 | 0 | 0 | 0 | 113.8 | N845 R849 | N845-N847 PolarHBondContact O-N 2.88Å; N845-N847 VanDerWaalsContact O-N 3.16Å; N847-R849 PolarHBondContact O-N 3.15Å |
| 848 | D | 64 | Low | 74.5 | Confident | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | trans | -64.7 | 129.7 | 179.4 | -74.2 | -7.6 | 0 | 0 | 0 | 109.3 | K795 I843 R844 N845 | K795-D848 IonicContact NZ-OD1 2.67Å; K795-D848 IonicContact NZ-OD2 3.27Å; K795-D848 PolarHBondContact NZ-OD2 3.36Å; I843-D848 HydrophobicContact CG2-CB 4.13Å; R844-D848 PolarHBondContact N-OD2 3.35Å; N845-D848 PolarHBondContact N-OD2 3.08Å; N845-D848 WeakPolarHBondContact O-CB 3.3Å; N845-D848 PolarHBondContact O-N 2.9Å | ||
| 849 | R | 74.8 | Confident | 75.2 | Confident | 73 Ų | 73 | 39.6 Ų | 39.6 | 28% | 0.275 | 19% | 0.189 | S | C | . | . | trans | -106.9 | 111.4 | 173.7 | -63.9 | 179.9 | -169.4 | 170.3 | 5 | 108.2 | I794 K795 N847 I892 K895 K896 | I794-R849 CarbonylContact C-O 3.57Å; I794-R849 WeakPolarHBondContact CA-O 3.21Å; K795-R849 PolarHBondContact N-O 3.4Å; N847-R849 PolarHBondContact O-N 3.15Å; R849-I892 HydrophobicContact CB-CG2 4.2Å; R849-I892 PolarHBondContact NH1-O 3.31Å; R849-K895 PolarHBondContact NH1-O 3.46Å; R849-K895 VanDerWaalsContact NH1-O 3.16Å; R849-K895 PolarHBondContact NH2-O 2.81Å; R849-K896 VanDerWaalsContact NH1-CA 3.27Å | ||
| 850 | G | 80.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 147.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T688 S689 K795 | T688-G850 WeakPolarHBondContact CA-O 3.11Å; T688-G850 WeakPolarHBondContact CG2-O 3.33Å; T688-G850 PolarHBondContact OG1-N 3.42Å; S689-G850 PolarHBondContact N-O 3.29Å; K795-G850 CarbonylContact O-C 3.47Å; K795-G850 VanDerWaalsContact O-CA 3.28Å; K795-G850 WeakPolarHBondContact O-CA 3.26Å |
| 851 | I | 88 | Confident | 76.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.4 | 157.3 | -169.8 | 162.1 | 0 | 0 | 0 | 109.6 | S689 F691 Y718 I794 K795 C796 V797 V853 F885 L888 L889 I892 | S689-I851 WeakPolarHBondContact O-CA 3.36Å; F691-I851 HydrophobicContact CB-CD1 4.38Å; Y718-I851 HydrophobicContact CD2-CG2 4.49Å; Y718-I851 HydrophobicContact CE2-CG2 4.21Å; I794-I851 HydrophobicContact CG2-CG2 3.97Å; K795-I851 PolarHBondContact O-N 2.86Å; C796-I851 WeakPolarHBondContact CA-O 3.27Å; C796-I851 HydrophobicContact CB-CG2 3.75Å; V797-I851 PolarHBondContact N-O 3.27Å; V797-I851 VanDerWaalsContact N-O 3.1Å; I851-V853 HydrophobicContact CG1-CG2 4.42Å; I851-F885 HydrophobicContact CD1-CD2 4.09Å; I851-F885 HydrophobicContact CD1-CE2 3.5Å; I851-F885 VanDerWaalsContact CD1-CE2 3.5Å; I851-F885 HydrophobicContact CD1-CZ 4.46Å; I851-F885 HydrophobicContact CG1-CE2 4.34Å; I851-L888 HydrophobicContact CD1-CD2 3.75Å; I851-L888 HydrophobicContact CD1-CG 4.32Å; I851-L889 HydrophobicContact CD1-CD2 3.81Å; I851-L889 HydrophobicContact CG2-CD2 4.18Å; I851-I892 HydrophobicContact CD1-CD1 4.2Å |
| 852 | I | 88 | Confident | 77.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125.2 | 171.6 | -62.7 | 137.5 | 0 | 0 | 0 | 106.9 | T688 S689 V690 F691 V797 I799 L839 L842 Y875 | T688-I852 HydrophobicContact CG2-CD1 3.75Å; S689-I852 PolarHBondContact O-N 3.49Å; V690-I852 CarbonylContact C-O 3.58Å; V690-I852 WeakPolarHBondContact CA-O 3.46Å; V690-I852 HydrophobicContact CG1-CG2 4.44Å; V690-I852 HydrophobicContact CG2-CB 4.12Å; V690-I852 HydrophobicContact CG2-CD1 3.8Å; F691-I852 PolarHBondContact N-O 3.09Å; V797-I852 CarbonylContact O-C 3.51Å; V797-I852 WeakPolarHBondContact O-CA 3.26Å; I799-I852 HydrophobicContact CD1-CG2 4.2Å; L839-I852 HydrophobicContact CD2-CD1 3.54Å; L839-I852 HydrophobicContact CD2-CG1 3.81Å; L839-I852 HydrophobicContact CD2-CG2 3.98Å; L839-I852 HydrophobicContact CG-CD1 4.45Å; L842-I852 HydrophobicContact CD1-CD1 3.95Å; L842-I852 HydrophobicContact CD1-CG1 3.38Å; I852-Y875 HydrophobicContact CD1-CD1 4.19Å; I852-Y875 HydrophobicContact CD1-CE1 4.04Å |
| 853 | V | 91.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.1 | 171.4 | -173.3 | 0 | 0 | 0 | 0 | 107.6 | F691 P693 Y714 V797 M798 I799 I851 F855 F885 | F691-V853 HydrophobicContact CD1-CG1 4.47Å; F691-V853 WeakPolarHBondContact O-CA 3.28Å; P693-V853 HydrophobicContact CG-CG1 3.9Å; Y714-V853 HydrophobicContact CD1-CG1 4.5Å; V797-V853 PolarHBondContact O-N 3.28Å; M798-V853 CarbonylContact C-O 3.59Å; M798-V853 WeakPolarHBondContact CA-O 3.47Å; M798-V853 HydrophobicContact CB-CB 4.41Å; M798-V853 HydrophobicContact CE-CG2 4.46Å; M798-V853 HydrophobicContact CG-CB 4.02Å; M798-V853 HydrophobicContact CG-CG2 4.22Å; I799-V853 PolarHBondContact N-O 2.95Å; I851-V853 HydrophobicContact CG1-CG2 4.42Å; V853-F855 HydrophobicContact CG1-CE1 4.16Å; V853-F855 HydrophobicContact CG1-CE2 4.16Å; V853-F855 HydrophobicContact CG1-CZ 3.94Å; V853-F885 HydrophobicContact CG2-CD2 4.47Å; V853-F885 HydrophobicContact CG2-CE2 3.5Å; V853-F885 VanDerWaalsContact CG2-CE2 3.5Å; V853-F885 HydrophobicContact CG2-CZ 3.79Å |
| 854 | S | 91.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 111.9 | 174.9 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | F691 P693 D856 | F691-S854 PolarHBondContact O-N 2.56Å; P693-S854 WeakPolarHBondContact CD-O 3.2Å; S854-D856 PolarHBondContact O-N 2.78Å |
| 855 | F | 92.1 | Very high | 82.1 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | trans | -79.7 | -7.1 | 178.2 | -63.2 | -78.7 | 0 | 0 | 0 | 113.3 | P693 V696 Y707 I711 Y714 M798 I799 V853 | P693-F855 HydrophobicContact CB-CD1 4.47Å; P693-F855 HydrophobicContact CG-CD1 3.79Å; P693-F855 HydrophobicContact CG-CE1 3.97Å; V696-F855 HydrophobicContact CG1-CD1 4.35Å; V696-F855 HydrophobicContact CG2-CD1 4.07Å; V696-F855 HydrophobicContact CG2-CE1 4.43Å; Y707-F855 WeakPolarHBondContact OH-CB 3.3Å; Y707-F855 PolarHBondContact OH-O 3.34Å; I711-F855 HydrophobicContact CB-CE2 4.28Å; I711-F855 HydrophobicContact CB-CZ 4.27Å; I711-F855 HydrophobicContact CG1-CD1 4.24Å; I711-F855 HydrophobicContact CG1-CD2 3.88Å; I711-F855 HydrophobicContact CG1-CE1 4.27Å; I711-F855 HydrophobicContact CG1-CE2 3.86Å; I711-F855 HydrophobicContact CG1-CG 4.05Å; I711-F855 HydrophobicContact CG1-CZ 4.09Å; I711-F855 HydrophobicContact CG2-CE2 4.04Å; I711-F855 HydrophobicContact CG2-CZ 4.28Å; Y714-F855 HydrophobicContact CD1-CE1 4.32Å; Y714-F855 AromaticContact CD2-CE1 3.8Å; Y714-F855 HydrophobicContact CD2-CE1 3.8Å; Y714-F855 HydrophobicContact CD2-CZ 4.49Å; Y714-F855 HydrophobicContact CE2-CE1 4.43Å; Y714-F855 AromaticContact CG-CE1 3.72Å; Y714-F855 HydrophobicContact CG-CE1 3.72Å; Y714-F855 HydrophobicContact CG-CZ 4.03Å; M798-F855 HydrophobicContact CB-CE2 3.93Å; M798-F855 HydrophobicContact CG-CE2 4.46Å; M798-F855 HydrophobicContact SD-CE2 4.12Å; M798-F855 HydrophobicContact SD-CZ 4.11Å; I799-F855 PolarHBondContact O-N 3.11Å; V853-F855 HydrophobicContact CG1-CE1 4.16Å; V853-F855 HydrophobicContact CG1-CE2 4.16Å; V853-F855 HydrophobicContact CG1-CZ 3.94Å | ||
| 856 | D | 88.8 | Confident | 83.6 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | trans | -88.4 | 110.2 | -177.3 | -161.5 | -28.6 | 0 | 0 | 0 | 111.5 | K801 L802 S854 R858 L859 | K801-D856 WeakPolarHBondContact CG-OD2 3.48Å; L802-D856 HydrophobicContact CG-CB 4.03Å; L802-D856 PolarHBondContact N-OD2 2.89Å; S854-D856 PolarHBondContact O-N 2.78Å; D856-R858 PolarHBondContact O-N 2.98Å; D856-R858 WeakPolarHBondContact OD1-CB 3.44Å; D856-R858 VanDerWaalsContact OD1-CG 3.23Å; D856-R858 WeakPolarHBondContact OD1-CG 3.32Å; D856-R858 IonicContact OD1-CZ 3.9Å; D856-R858 PolarHBondContact OD1-N 3.09Å; D856-R858 VanDerWaalsContact OD1-N 3.16Å; D856-R858 IonicContact OD1-NE 3.36Å; D856-R858 PolarHBondContact OD1-NE 2.87Å; D856-R858 IonicContact OD1-NH2 3.75Å; D856-R858 IonicContact OD2-CZ 2.77Å; D856-R858 VanDerWaalsContact OD2-CZ 3.28Å; D856-R858 IonicContact OD2-NE 3.73Å; D856-R858 PolarHBondContact OD2-NE 2.89Å; D856-R858 VanDerWaalsContact OD2-NE 3.16Å; D856-R858 IonicContact OD2-NH2 2.67Å; D856-R858 PolarHBondContact OD2-NH2 3.49Å; D856-L859 WeakPolarHBondContact O-CB 3.37Å; D856-L859 PolarHBondContact O-N 2.91Å | ||
| 857 | D | 86.1 | Confident | 85.1 | Confident | 40 Ų | 40 | 44.7 Ų | 44.7 | 21% | 0.214 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.5 | -178.4 | 75.4 | -29.9 | 0 | 0 | 0 | 113.4 | S698 L859 I860 N861 | S698-D857 WeakPolarHBondContact CB-OD2 3.42Å; S698-D857 PolarHBondContact OG-OD2 2.72Å; D857-L859 PolarHBondContact O-N 3.07Å; D857-L859 VanDerWaalsContact O-N 3.14Å; D857-I860 PolarHBondContact O-N 3.01Å; D857-N861 PolarHBondContact O-N 2.85Å; D857-N861 PolarHBondContact OD2-ND2 2.91Å; D857-N861 VanDerWaalsContact OD2-ND2 3.15Å |
| 858 | R | 88.5 | Confident | 86.5 | Confident | 65 Ų | 65 | 37.9 Ų | 37.9 | 25% | 0.245 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -20.7 | 174.8 | -62.3 | 179.2 | -66.7 | 162.9 | 2.4 | 112.1 | L802 D856 I860 S862 | L802-R858 HydrophobicContact CD1-CB 4.18Å; D856-R858 PolarHBondContact O-N 2.98Å; D856-R858 WeakPolarHBondContact OD1-CB 3.44Å; D856-R858 VanDerWaalsContact OD1-CG 3.23Å; D856-R858 WeakPolarHBondContact OD1-CG 3.32Å; D856-R858 IonicContact OD1-CZ 3.9Å; D856-R858 PolarHBondContact OD1-N 3.09Å; D856-R858 VanDerWaalsContact OD1-N 3.16Å; D856-R858 IonicContact OD1-NE 3.36Å; D856-R858 PolarHBondContact OD1-NE 2.87Å; D856-R858 IonicContact OD1-NH2 3.75Å; D856-R858 IonicContact OD2-CZ 2.77Å; D856-R858 VanDerWaalsContact OD2-CZ 3.28Å; D856-R858 IonicContact OD2-NE 3.73Å; D856-R858 PolarHBondContact OD2-NE 2.89Å; D856-R858 VanDerWaalsContact OD2-NE 3.16Å; D856-R858 IonicContact OD2-NH2 2.67Å; D856-R858 PolarHBondContact OD2-NH2 3.49Å; R858-I860 PolarHBondContact O-N 2.89Å; R858-S862 WeakPolarHBondContact O-CB 3.44Å; R858-S862 PolarHBondContact O-N 3.01Å; R858-S862 PolarHBondContact O-OG 3.16Å |
| 859 | L | 86.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.8 | -24.3 | 170.7 | -172.5 | 60.7 | 0 | 0 | 0 | 112.5 | I692 L802 F835 D856 D857 K865 F868 L872 | I692-L859 HydrophobicContact CD1-CD2 3.65Å; I692-L859 HydrophobicContact CD1-CG 4.2Å; I692-L859 HydrophobicContact CG1-CD2 4.07Å; L802-L859 HydrophobicContact CD2-CD1 4.48Å; F835-L859 HydrophobicContact CZ-CD1 4.48Å; D856-L859 WeakPolarHBondContact O-CB 3.37Å; D856-L859 PolarHBondContact O-N 2.91Å; D857-L859 PolarHBondContact O-N 3.07Å; D857-L859 VanDerWaalsContact O-N 3.14Å; L859-K865 WeakPolarHBondContact O-CB 3.43Å; L859-F868 HydrophobicContact CD1-CB 3.45Å; L859-F868 VanDerWaalsContact CD1-CB 3.45Å; L859-F868 HydrophobicContact CD1-CD1 4.41Å; L859-F868 HydrophobicContact CD1-CG 4.07Å; L859-L872 HydrophobicContact CD1-CD1 4.03Å; L859-L872 HydrophobicContact CD2-CD1 4.02Å; L859-L872 HydrophobicContact CG-CD1 4.37Å |
| 860 | I | 85.5 | Confident | 87.9 | Confident | 41 Ų | 41 | 38.7 Ų | 38.7 | 21% | 0.21 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -118.1 | -33.9 | -178.8 | -54.2 | 168.4 | 0 | 0 | 0 | 112.5 | I692 D857 R858 K865 K879 | I692-I860 HydrophobicContact CB-CD1 4.06Å; I692-I860 HydrophobicContact CD1-CD1 3.65Å; I692-I860 HydrophobicContact CD1-CG1 3.77Å; I692-I860 HydrophobicContact CG1-CD1 4.44Å; I692-I860 HydrophobicContact CG2-CD1 3.54Å; I692-I860 HydrophobicContact CG2-CG1 4.39Å; D857-I860 PolarHBondContact O-N 3.01Å; R858-I860 PolarHBondContact O-N 2.89Å; I860-K865 WeakPolarHBondContact O-CD 3.47Å; I860-K865 PolarHBondContact O-NZ 3.48Å; I860-K879 HydrophobicContact CD1-CD 3.89Å; I860-K879 HydrophobicContact CD1-CG 4.43Å |
| 861 | N | 86.3 | Confident | 87.8 | Confident | 103 Ų | 103 | 39.8 Ų | 39.8 | 55% | 0.551 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -98.5 | -8.3 | -169.3 | -66.6 | -21.2 | 0 | 0 | 0 | 113.7 | D857 | D857-N861 PolarHBondContact O-N 2.85Å; D857-N861 PolarHBondContact OD2-ND2 2.91Å; D857-N861 VanDerWaalsContact OD2-ND2 3.15Å |
| 862 | S | 89.2 | Confident | 87.5 | Confident | 15 Ų | 15 | 39.8 Ų | 39.8 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -84.1 | 156.7 | -178 | 72 | 0 | 0 | 0 | 0 | 113.3 | R858 Y864 K865 | R858-S862 WeakPolarHBondContact O-CB 3.44Å; R858-S862 PolarHBondContact O-N 3.01Å; R858-S862 PolarHBondContact O-OG 3.16Å; S862-Y864 VanDerWaalsContact CB-CE2 3.48Å; S862-Y864 PolarHBondContact O-N 2.65Å; S862-Y864 WeakPolarHBondContact OG-CD2 3.48Å; S862-Y864 WeakPolarHBondContact OG-CE2 3.48Å; S862-K865 WeakPolarHBondContact O-CB 3.29Å; S862-K865 WeakPolarHBondContact O-CG 3.44Å; S862-K865 PolarHBondContact O-N 3.33Å; S862-K865 PolarHBondContact OG-N 2.94Å; S862-K865 VanDerWaalsContact OG-N 3.14Å |
| 863 | N | 89 | Confident | 87.1 | Confident | 169 Ų | 169 | 45.9 Ų | 45.9 | 90% | 0.904 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12.1 | 173.8 | -63.8 | -18.1 | 0 | 0 | 0 | 113.6 | ||
| 864 | Y | 90.3 | Very high | 86.3 | Confident | 40 Ų | 40 | 51.5 Ų | 51.5 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 10.5 | -179.5 | 50.3 | -105.7 | 0 | 0 | 0 | 112.4 | F804 F823 L828 S862 N866 F867 F868 | F804-Y864 HydrophobicContact CE1-CE2 4.42Å; F804-Y864 AromaticContact CE2-CE2 3.77Å; F804-Y864 HydrophobicContact CE2-CE2 3.77Å; F804-Y864 AromaticContact CZ-CD2 3.97Å; F804-Y864 HydrophobicContact CZ-CD2 3.97Å; F804-Y864 AromaticContact CZ-CE2 3.35Å; F804-Y864 HydrophobicContact CZ-CE2 3.35Å; F804-Y864 AromaticContact CZ-CZ 3.7Å; F823-Y864 AromaticContact CE1-CD1 3.89Å; F823-Y864 HydrophobicContact CE1-CD1 3.89Å; F823-Y864 HydrophobicContact CE1-CE1 4Å; F823-Y864 AromaticContact CZ-CD1 3.98Å; F823-Y864 HydrophobicContact CZ-CD1 3.98Å; F823-Y864 AromaticContact CZ-CE1 3.67Å; F823-Y864 HydrophobicContact CZ-CE1 3.67Å; L828-Y864 HydrophobicContact CD1-CD2 4.02Å; L828-Y864 HydrophobicContact CD1-CG 4.06Å; S862-Y864 VanDerWaalsContact CB-CE2 3.48Å; S862-Y864 PolarHBondContact O-N 2.65Å; S862-Y864 WeakPolarHBondContact OG-CD2 3.48Å; S862-Y864 WeakPolarHBondContact OG-CE2 3.48Å; Y864-N866 PolarHBondContact O-N 2.77Å; Y864-F867 VanDerWaalsContact O-CD2 3.31Å; Y864-F867 WeakPolarHBondContact O-CD2 3.02Å; Y864-F867 PolarHBondContact O-N 2.67Å; Y864-F868 HydrophobicContact CD2-CD2 4.17Å; Y864-F868 AromaticContact CD2-CE2 3.82Å; Y864-F868 HydrophobicContact CD2-CE2 3.82Å; Y864-F868 HydrophobicContact CE2-CE2 4.11Å |
| 865 | K | 88.5 | Confident | 85.8 | Confident | 66 Ų | 66 | 53 Ų | 53 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.1 | -36.1 | -178.4 | 69.4 | -174.8 | -173.9 | 169.2 | 0 | 113.3 | L859 I860 S862 F867 F868 E869 | L859-K865 WeakPolarHBondContact O-CB 3.43Å; I860-K865 WeakPolarHBondContact O-CD 3.47Å; I860-K865 PolarHBondContact O-NZ 3.48Å; S862-K865 WeakPolarHBondContact O-CB 3.29Å; S862-K865 WeakPolarHBondContact O-CG 3.44Å; S862-K865 PolarHBondContact O-N 3.33Å; S862-K865 PolarHBondContact OG-N 2.94Å; S862-K865 VanDerWaalsContact OG-N 3.14Å; K865-F867 PolarHBondContact O-N 2.89Å; K865-F867 VanDerWaalsContact O-N 3.11Å; K865-F868 CarbonylContact O-C 3.59Å; K865-F868 WeakPolarHBondContact O-CA 3.37Å; K865-F868 PolarHBondContact O-N 2.73Å; K865-E869 PolarHBondContact O-N 2.95Å |
| 866 | N | 89.3 | Confident | 85.3 | Confident | 99 Ų | 99 | 59 Ų | 59 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.8 | -33.7 | -176.6 | -61.4 | 1.4 | 0 | 0 | 0 | 111.8 | Y864 E869 Q870 | Y864-N866 PolarHBondContact O-N 2.77Å; N866-E869 PolarHBondContact O-N 3.4Å; N866-Q870 WeakPolarHBondContact O-CB 3.29Å; N866-Q870 PolarHBondContact O-N 3.28Å |
| 867 | F | 89 | Confident | 85.2 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.6 | -32.1 | 177.7 | -56.1 | -69 | 0 | 0 | 0 | 112.8 | F656 N657 L828 V832 Y864 K865 | F656-F867 HydrophobicContact CE1-CD1 4.1Å; F656-F867 AromaticContact CE1-CE1 3.94Å; F656-F867 HydrophobicContact CE1-CE1 3.94Å; F656-F867 HydrophobicContact CE1-CZ 4.4Å; F656-F867 HydrophobicContact CE2-CB 4.16Å; F656-F867 HydrophobicContact CE2-CD1 4.04Å; F656-F867 HydrophobicContact CE2-CG 4.1Å; F656-F867 HydrophobicContact CZ-CB 4.33Å; F656-F867 AromaticContact CZ-CD1 3.57Å; F656-F867 HydrophobicContact CZ-CD1 3.57Å; F656-F867 HydrophobicContact CZ-CD2 4.19Å; F656-F867 AromaticContact CZ-CE1 3.81Å; F656-F867 HydrophobicContact CZ-CE1 3.81Å; F656-F867 HydrophobicContact CZ-CE2 4.4Å; F656-F867 AromaticContact CZ-CG 3.78Å; F656-F867 HydrophobicContact CZ-CG 3.78Å; F656-F867 HydrophobicContact CZ-CZ 4.22Å; N657-F867 HydrophobicContact CB-CD1 3.94Å; N657-F867 HydrophobicContact CB-CE1 3.76Å; L828-F867 HydrophobicContact CD2-CD2 3.73Å; L828-F867 HydrophobicContact CD2-CE2 3.8Å; L828-F867 HydrophobicContact CG-CD2 4.46Å; V832-F867 HydrophobicContact CG2-CB 4.01Å; Y864-F867 VanDerWaalsContact O-CD2 3.31Å; Y864-F867 WeakPolarHBondContact O-CD2 3.02Å; Y864-F867 PolarHBondContact O-N 2.67Å; K865-F867 PolarHBondContact O-N 2.89Å; K865-F867 VanDerWaalsContact O-N 3.11Å |
| 868 | F | 89 | Confident | 85.3 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -81.2 | -40.6 | 173.4 | -69.9 | -89.2 | 0 | 0 | 0 | 111.5 | L802 F804 L828 A831 V832 F835 L859 Y864 K865 Q870 T871 L872 | L802-F868 HydrophobicContact CD1-CE1 4.38Å; L802-F868 HydrophobicContact CD1-CE2 4.33Å; L802-F868 HydrophobicContact CD1-CZ 4.21Å; L802-F868 HydrophobicContact CD2-CD1 4.21Å; L802-F868 HydrophobicContact CD2-CE1 4.04Å; F804-F868 HydrophobicContact CE1-CZ 4.39Å; F804-F868 HydrophobicContact CE2-CE2 4.23Å; F804-F868 AromaticContact CE2-CZ 3.99Å; F804-F868 HydrophobicContact CE2-CZ 3.99Å; F804-F868 AromaticContact CZ-CE2 3.68Å; F804-F868 HydrophobicContact CZ-CE2 3.68Å; F804-F868 AromaticContact CZ-CZ 3.66Å; F804-F868 HydrophobicContact CZ-CZ 3.66Å; L828-F868 HydrophobicContact CD1-CE2 3.81Å; L828-F868 HydrophobicContact CD1-CZ 4.41Å; A831-F868 HydrophobicContact CB-CZ 4.24Å; V832-F868 HydrophobicContact CG2-CD1 4.17Å; V832-F868 HydrophobicContact CG2-CD2 4.05Å; V832-F868 HydrophobicContact CG2-CE1 3.89Å; V832-F868 HydrophobicContact CG2-CE2 3.76Å; V832-F868 HydrophobicContact CG2-CG 4.24Å; V832-F868 HydrophobicContact CG2-CZ 3.68Å; F835-F868 HydrophobicContact CB-CD1 4.2Å; F835-F868 HydrophobicContact CB-CE1 3.96Å; F835-F868 AromaticContact CD1-CD1 3.66Å; F835-F868 HydrophobicContact CD1-CD1 3.66Å; F835-F868 HydrophobicContact CD1-CE1 4.29Å; F835-F868 HydrophobicContact CE1-CD1 4.08Å; F835-F868 AromaticContact CG-CD1 3.89Å; F835-F868 HydrophobicContact CG-CD1 3.89Å; F835-F868 HydrophobicContact CG-CE1 4.07Å; L859-F868 HydrophobicContact CD1-CB 3.45Å; L859-F868 VanDerWaalsContact CD1-CB 3.45Å; L859-F868 HydrophobicContact CD1-CD1 4.41Å; L859-F868 HydrophobicContact CD1-CG 4.07Å; Y864-F868 HydrophobicContact CD2-CD2 4.17Å; Y864-F868 AromaticContact CD2-CE2 3.82Å; Y864-F868 HydrophobicContact CD2-CE2 3.82Å; Y864-F868 HydrophobicContact CE2-CE2 4.11Å; K865-F868 CarbonylContact O-C 3.59Å; K865-F868 WeakPolarHBondContact O-CA 3.37Å; K865-F868 PolarHBondContact O-N 2.73Å; F868-Q870 PolarHBondContact O-N 3.19Å; F868-T871 WeakPolarHBondContact O-CA 3.3Å; F868-T871 VanDerWaalsContact O-CB 3.32Å; F868-T871 WeakPolarHBondContact O-CB 3.4Å; F868-T871 PolarHBondContact O-N 3.16Å; F868-L872 WeakPolarHBondContact O-CG 3.31Å; F868-L872 PolarHBondContact O-N 3.4Å |
| 869 | E | 84.7 | Confident | 85.4 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.5 | -40.5 | 175.1 | -74.1 | 179.2 | 174.4 | 0 | 0 | 111.3 | K865 N866 T871 L872 E873 | K865-E869 PolarHBondContact O-N 2.95Å; N866-E869 PolarHBondContact O-N 3.4Å; E869-T871 VanDerWaalsContact C-N 3.26Å; E869-T871 PolarHBondContact O-N 3.21Å; E869-L872 CarbonylContact O-C 3.54Å; E869-L872 VanDerWaalsContact O-CA 3.31Å; E869-L872 WeakPolarHBondContact O-CA 3.5Å; E869-L872 WeakPolarHBondContact O-CB 3.38Å; E869-L872 PolarHBondContact O-N 2.71Å; E869-E873 PolarHBondContact O-N 3.21Å |
| 870 | Q | 81.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 20% | 0.201 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55 | -40.9 | 173.2 | -173 | -169.8 | -0.6 | 0 | 0 | 112.6 | H658 N866 F868 L872 E873 | H658-Q870 PolarHBondContact CD2-NE2 3Å; H658-Q870 PolarHBondContact CE1-NE2 3.17Å; H658-Q870 PolarHBondContact ND1-NE2 3.39Å; H658-Q870 PolarHBondContact NE2-NE2 3.08Å; N866-Q870 WeakPolarHBondContact O-CB 3.29Å; N866-Q870 PolarHBondContact O-N 3.28Å; F868-Q870 PolarHBondContact O-N 3.19Å; Q870-L872 PolarHBondContact O-N 2.87Å; Q870-E873 PolarHBondContact O-N 2.98Å |
| 871 | T | 79.4 | Confident | 86.1 | Confident | 22 Ų | 22 | 67 Ų | 67 | 14% | 0.135 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.2 | -23.8 | 176.4 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | F835 R836 L839 F868 E869 Y875 | F835-T871 HydrophobicContact CD1-CG2 4.07Å; F835-T871 HydrophobicContact CE1-CG2 4.36Å; R836-T871 HydrophobicContact CB-CG2 3.59Å; R836-T871 HydrophobicContact CG-CG2 3.83Å; L839-T871 HydrophobicContact CD1-CG2 4.14Å; F868-T871 WeakPolarHBondContact O-CA 3.3Å; F868-T871 VanDerWaalsContact O-CB 3.32Å; F868-T871 WeakPolarHBondContact O-CB 3.4Å; F868-T871 PolarHBondContact O-N 3.16Å; E869-T871 VanDerWaalsContact C-N 3.26Å; E869-T871 PolarHBondContact O-N 3.21Å; T871-Y875 WeakPolarHBondContact O-CE2 3.33Å |
| 872 | L | 82 | Confident | 86.5 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -96.9 | -1.2 | -177.7 | -62.8 | -179.1 | 0 | 0 | 0 | 114.4 | V690 F835 L839 L859 F868 E869 Q870 N874 Y875 Q877 | V690-L872 HydrophobicContact CG1-CD1 4.35Å; V690-L872 HydrophobicContact CG2-CD2 3.71Å; F835-L872 HydrophobicContact CE1-CD1 4.36Å; F835-L872 HydrophobicContact CE1-CD2 3.87Å; F835-L872 HydrophobicContact CE1-CG 4.03Å; F835-L872 HydrophobicContact CZ-CD1 4.33Å; F835-L872 HydrophobicContact CZ-CD2 4.02Å; F835-L872 HydrophobicContact CZ-CG 4.38Å; L839-L872 HydrophobicContact CD1-CD2 3.41Å; L839-L872 VanDerWaalsContact CD1-CD2 3.41Å; L859-L872 HydrophobicContact CD1-CD1 4.03Å; L859-L872 HydrophobicContact CD2-CD1 4.02Å; L859-L872 HydrophobicContact CG-CD1 4.37Å; F868-L872 WeakPolarHBondContact O-CG 3.31Å; F868-L872 PolarHBondContact O-N 3.4Å; E869-L872 CarbonylContact O-C 3.54Å; E869-L872 VanDerWaalsContact O-CA 3.31Å; E869-L872 WeakPolarHBondContact O-CA 3.5Å; E869-L872 WeakPolarHBondContact O-CB 3.38Å; E869-L872 PolarHBondContact O-N 2.71Å; Q870-L872 PolarHBondContact O-N 2.87Å; L872-N874 PolarHBondContact O-N 2.74Å; L872-N874 VanDerWaalsContact O-N 3.14Å; L872-Y875 HydrophobicContact CD2-CD2 4.21Å; L872-Y875 PolarHBondContact O-N 3.48Å; L872-Q877 HydrophobicContact CB-CG 4.49Å; L872-Q877 PolarHBondContact O-NE2 3.04Å |
| 873 | E | 79.3 | Confident | 86.7 | Confident | 129 Ų | 129 | 70.9 Ų | 70.9 | 60% | 0.603 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -35.8 | -176.4 | -78.7 | 175.7 | -171.6 | 0 | 0 | 113.3 | E869 Q870 Y875 | E869-E873 PolarHBondContact O-N 3.21Å; Q870-E873 PolarHBondContact O-N 2.98Å; E873-Y875 VanDerWaalsContact C-N 3.31Å; E873-Y875 PolarHBondContact O-N 3Å |
| 874 | N | 75.7 | Confident | 87 | Confident | 117 Ų | 117 | 66.6 Ų | 66.6 | 63% | 0.626 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -0.1 | -178.8 | -67.4 | -45.1 | 0 | 0 | 0 | 114.1 | A685 L872 | A685-N874 CarbonylContact C-O 3.57Å; A685-N874 VanDerWaalsContact C-O 3.32Å; A685-N874 HydrophobicContact CB-CB 3.67Å; A685-N874 WeakPolarHBondContact CB-O 3.29Å; L872-N874 PolarHBondContact O-N 2.74Å; L872-N874 VanDerWaalsContact O-N 3.14Å |
| 875 | Y | 80 | Confident | 87.2 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 13% | 0.125 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -107.9 | 149.3 | -175.8 | -62.7 | -97.3 | 0 | 0 | 0 | 112 | T688 V690 L839 I843 I852 T871 L872 E873 Q877 | T688-Y875 HydrophobicContact CG2-CD1 3.64Å; T688-Y875 HydrophobicContact CG2-CE1 3.79Å; V690-Y875 HydrophobicContact CG2-CD1 4.3Å; V690-Y875 HydrophobicContact CG2-CG 4.17Å; L839-Y875 HydrophobicContact CD1-CE2 4.27Å; I843-Y875 HydrophobicContact CD1-CE1 3.93Å; I852-Y875 HydrophobicContact CD1-CD1 4.19Å; I852-Y875 HydrophobicContact CD1-CE1 4.04Å; T871-Y875 WeakPolarHBondContact O-CE2 3.33Å; L872-Y875 HydrophobicContact CD2-CD2 4.21Å; L872-Y875 PolarHBondContact O-N 3.48Å; E873-Y875 VanDerWaalsContact C-N 3.31Å; E873-Y875 PolarHBondContact O-N 3Å; Y875-Q877 PolarHBondContact O-N 3.31Å |
| 876 | R | 82.7 | Confident | 87.4 | Confident | 135 Ų | 135 | 61.6 Ų | 61.6 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 108.4 | 173.3 | -62.9 | -179.5 | -166.9 | -141.3 | -4.5 | 109.7 | K686 T688 S689 V690 | K686-R876 PolarHBondContact O-NE 3.47Å; K686-R876 PolarHBondContact O-NH2 2.96Å; T688-R876 PolarHBondContact O-N 2.82Å; T688-R876 VanDerWaalsContact O-N 3.15Å; S689-R876 CarbonylContact C-O 3.52Å; S689-R876 VanDerWaalsContact CA-O 3.22Å; S689-R876 WeakPolarHBondContact CA-O 3.28Å; V690-R876 PolarHBondContact N-O 3Å |
| 877 | Q | 86 | Confident | 87.5 | Confident | 95 Ų | 95 | 63 Ų | 63 | 44% | 0.444 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 135.7 | -179 | -57.4 | -179.9 | 40.9 | 0 | 0 | 111 | V690 L872 Y875 | V690-Q877 HydrophobicContact CB-CG 4.47Å; V690-Q877 CarbonylContact O-C 3.54Å; V690-Q877 WeakPolarHBondContact O-CA 3.25Å; L872-Q877 HydrophobicContact CB-CG 4.49Å; L872-Q877 PolarHBondContact O-NE2 3.04Å; Y875-Q877 PolarHBondContact O-N 3.31Å |
| 878 | K | 89.2 | Confident | 87.6 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 125.7 | 174.6 | -172.1 | -178.5 | -178.7 | -169.4 | 0 | 109.8 | V690 F691 I692 Q884 L888 | V690-K878 PolarHBondContact O-N 3.02Å; F691-K878 CarbonylContact C-O 3.58Å; F691-K878 VanDerWaalsContact CA-O 3.3Å; F691-K878 WeakPolarHBondContact CA-O 3.28Å; F691-K878 HydrophobicContact CD2-CB 4.18Å; F691-K878 HydrophobicContact CD2-CD 4.24Å; F691-K878 HydrophobicContact CD2-CG 4.26Å; F691-K878 HydrophobicContact CE2-CD 4.14Å; F691-K878 HydrophobicContact CE2-CG 4.24Å; I692-K878 PolarHBondContact N-O 3.08Å; K878-Q884 PolarHBondContact NZ-O 2.9Å; K878-L888 HydrophobicContact CD-CB 4.42Å; K878-L888 HydrophobicContact CD-CD1 4.48Å; K878-L888 HydrophobicContact CD-CD2 4.17Å |
| 879 | K | 89.8 | Confident | 87.6 | Confident | 116 Ų | 116 | 61.3 Ų | 61.3 | 50% | 0.504 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 137.4 | 168.4 | -171.2 | -179.3 | -174.5 | 174.5 | 0 | 109.2 | I692 I860 | I692-K879 VanDerWaalsContact O-CA 3.31Å; I692-K879 WeakPolarHBondContact O-CA 3.43Å; I692-K879 WeakPolarHBondContact O-CG 3.31Å; I860-K879 HydrophobicContact CD1-CD 3.89Å; I860-K879 HydrophobicContact CD1-CG 4.43Å |
| 880 | G | 92.9 | Very high | 87.8 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F691 I692 P693 S694 | F691-G880 WeakPolarHBondContact CE1-O 3.44Å; F691-G880 VanDerWaalsContact CZ-C 3.48Å; F691-G880 VanDerWaalsContact CZ-O 3.23Å; F691-G880 WeakPolarHBondContact CZ-O 3.39Å; I692-G880 PolarHBondContact O-N 3.25Å; P693-G880 CarbonylContact C-O 3.57Å; P693-G880 VanDerWaalsContact CA-O 3.28Å; P693-G880 WeakPolarHBondContact CA-O 3.28Å; S694-G880 PolarHBondContact N-O 3.46Å; S694-G880 WeakPolarHBondContact OG-CA 3.37Å; S694-G880 PolarHBondContact OG-O 3.5Å |
| 881 | D | 94.8 | Very high | 88 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | trans | -82.5 | 175.7 | 173.5 | 61.1 | 33.1 | 0 | 0 | 0 | 112.9 | F691 S694 D695 Q883 Q884 F885 | F691-D881 WeakPolarHBondContact CZ-O 3.5Å; S694-D881 PolarHBondContact OG-N 2.83Å; D695-D881 HydrophobicContact CB-CB 4.12Å; D881-Q883 PolarHBondContact O-N 2.9Å; D881-Q883 WeakPolarHBondContact OD1-CB 2.94Å; D881-Q883 PolarHBondContact OD1-N 3.2Å; D881-Q883 VanDerWaalsContact OD1-N 3.12Å; D881-Q884 CarbonylContact O-C 3.56Å; D881-Q884 WeakPolarHBondContact O-CA 3.31Å; D881-Q884 WeakPolarHBondContact O-CB 3.21Å; D881-Q884 PolarHBondContact O-N 3.18Å; D881-Q884 WeakPolarHBondContact OD1-CB 3.41Å; D881-Q884 VanDerWaalsContact OD1-CG 3.28Å; D881-Q884 WeakPolarHBondContact OD1-CG 3.45Å; D881-Q884 PolarHBondContact OD1-N 2.97Å; D881-F885 PolarHBondContact O-N 3.13Å | ||
| 882 | I | 94.4 | Very high | 88 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 23% | 0.226 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -31.4 | -179.1 | -162.2 | 167.7 | 0 | 0 | 0 | 113 | D695 Y714 E717 F885 G886 | D695-I882 PolarHBondContact OD2-N 3.11Å; Y714-I882 HydrophobicContact CD1-CG1 4.44Å; Y714-I882 HydrophobicContact CD2-CD1 4.04Å; Y714-I882 HydrophobicContact CD2-CG1 4.3Å; Y714-I882 HydrophobicContact CE1-CB 4.37Å; Y714-I882 HydrophobicContact CE1-CG1 4.26Å; Y714-I882 HydrophobicContact CE2-CB 4Å; Y714-I882 HydrophobicContact CE2-CD1 4.22Å; Y714-I882 HydrophobicContact CE2-CG1 4.14Å; Y714-I882 HydrophobicContact CG-CD1 4.39Å; Y714-I882 HydrophobicContact CG-CG1 4.46Å; Y714-I882 WeakPolarHBondContact OH-CA 3.46Å; Y714-I882 PolarHBondContact OH-N 3.02Å; Y714-I882 VanDerWaalsContact OH-N 3.09Å; E717-I882 HydrophobicContact CB-CD1 4.19Å; E717-I882 HydrophobicContact CB-CG1 4.15Å; E717-I882 HydrophobicContact CG-CG1 4.12Å; I882-F885 WeakPolarHBondContact O-CB 3.39Å; I882-F885 PolarHBondContact O-N 2.6Å; I882-G886 PolarHBondContact O-N 3.3Å |
| 883 | Q | 93.7 | Very high | 87.8 | Confident | 155 Ų | 155 | 70.8 Ų | 70.8 | 72% | 0.724 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -69 | -39.9 | 175.9 | -60.3 | -176.2 | 1.3 | 0 | 0 | 111.1 | D881 F885 G886 K887 | D881-Q883 PolarHBondContact O-N 2.9Å; D881-Q883 WeakPolarHBondContact OD1-CB 2.94Å; D881-Q883 PolarHBondContact OD1-N 3.2Å; D881-Q883 VanDerWaalsContact OD1-N 3.12Å; Q883-F885 VanDerWaalsContact C-N 3.32Å; Q883-G886 PolarHBondContact O-N 3.22Å; Q883-K887 WeakPolarHBondContact O-CB 3.3Å; Q883-K887 PolarHBondContact O-N 3.06Å |
| 884 | Q | 94.2 | Very high | 87.4 | Confident | 79 Ų | 79 | 72.4 Ų | 72.4 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.2 | -28.4 | 174.7 | -69 | 179.4 | 2.3 | 0 | 0 | 112.7 | K878 D881 L888 | K878-Q884 PolarHBondContact NZ-O 2.9Å; D881-Q884 CarbonylContact O-C 3.56Å; D881-Q884 WeakPolarHBondContact O-CA 3.31Å; D881-Q884 WeakPolarHBondContact O-CB 3.21Å; D881-Q884 PolarHBondContact O-N 3.18Å; D881-Q884 WeakPolarHBondContact OD1-CB 3.41Å; D881-Q884 VanDerWaalsContact OD1-CG 3.28Å; D881-Q884 WeakPolarHBondContact OD1-CG 3.45Å; D881-Q884 PolarHBondContact OD1-N 2.97Å; Q884-L888 WeakPolarHBondContact O-CB 3.19Å; Q884-L888 PolarHBondContact O-N 3.14Å; Q884-L888 VanDerWaalsContact O-N 3.08Å |
| 885 | F | 94.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.3 | -53.2 | 169.1 | 179.2 | -118.2 | 0 | 0 | 0 | 110.9 | F691 Y714 E717 M798 I851 V853 D881 I882 Q883 K887 L888 L889 | F691-F885 HydrophobicContact CB-CD2 4.2Å; F691-F885 HydrophobicContact CB-CE2 4.48Å; F691-F885 HydrophobicContact CD1-CB 4.22Å; F691-F885 AromaticContact CD1-CD2 3.66Å; F691-F885 HydrophobicContact CD1-CD2 3.66Å; F691-F885 HydrophobicContact CD1-CE2 4.43Å; F691-F885 HydrophobicContact CD1-CG 4.26Å; F691-F885 HydrophobicContact CD2-CD2 4.16Å; F691-F885 HydrophobicContact CE1-CB 3.7Å; F691-F885 HydrophobicContact CE1-CD2 4.05Å; F691-F885 HydrophobicContact CE1-CG 4.2Å; F691-F885 HydrophobicContact CE2-CB 4.06Å; F691-F885 HydrophobicContact CE2-CD2 4.49Å; F691-F885 AromaticContact CG-CD2 3.72Å; F691-F885 HydrophobicContact CG-CD2 3.72Å; F691-F885 HydrophobicContact CG-CE2 4.44Å; F691-F885 HydrophobicContact CZ-CB 3.6Å; F691-F885 HydrophobicContact CZ-CD2 4.43Å; F691-F885 HydrophobicContact CZ-CG 4.47Å; Y714-F885 HydrophobicContact CD1-CB 4.38Å; Y714-F885 AromaticContact CD1-CD1 3.53Å; Y714-F885 HydrophobicContact CD1-CD1 3.53Å; Y714-F885 HydrophobicContact CD1-CD2 4.45Å; Y714-F885 AromaticContact CD1-CE1 3.81Å; Y714-F885 HydrophobicContact CD1-CE1 3.81Å; Y714-F885 AromaticContact CD1-CG 3.89Å; Y714-F885 HydrophobicContact CD1-CG 3.89Å; Y714-F885 HydrophobicContact CD1-CZ 4.38Å; Y714-F885 HydrophobicContact CE1-CB 3.78Å; Y714-F885 AromaticContact CE1-CD1 3.83Å; Y714-F885 HydrophobicContact CE1-CD1 3.83Å; Y714-F885 HydrophobicContact CE1-CD2 4.38Å; Y714-F885 AromaticContact CE1-CG 3.75Å; Y714-F885 HydrophobicContact CE1-CG 3.75Å; E717-F885 HydrophobicContact CB-CD1 4.36Å; E717-F885 HydrophobicContact CB-CE1 4.48Å; E717-F885 HydrophobicContact CG-CD1 3.99Å; E717-F885 HydrophobicContact CG-CE1 4.45Å; M798-F885 HydrophobicContact CE-CZ 4.39Å; I851-F885 HydrophobicContact CD1-CD2 4.09Å; I851-F885 HydrophobicContact CD1-CE2 3.5Å; I851-F885 VanDerWaalsContact CD1-CE2 3.5Å; I851-F885 HydrophobicContact CD1-CZ 4.46Å; I851-F885 HydrophobicContact CG1-CE2 4.34Å; V853-F885 HydrophobicContact CG2-CD2 4.47Å; V853-F885 HydrophobicContact CG2-CE2 3.5Å; V853-F885 VanDerWaalsContact CG2-CE2 3.5Å; V853-F885 HydrophobicContact CG2-CZ 3.79Å; D881-F885 PolarHBondContact O-N 3.13Å; I882-F885 WeakPolarHBondContact O-CB 3.39Å; I882-F885 PolarHBondContact O-N 2.6Å; Q883-F885 VanDerWaalsContact C-N 3.32Å; F885-K887 VanDerWaalsContact C-N 3.27Å; F885-K887 PolarHBondContact O-N 3.14Å; F885-L888 WeakPolarHBondContact O-CA 3.48Å; F885-L888 WeakPolarHBondContact O-CB 3.21Å; F885-L888 PolarHBondContact O-N 2.85Å; F885-L889 HydrophobicContact CD1-CD1 3.95Å; F885-L889 HydrophobicContact CE1-CD1 3.52Å; F885-L889 HydrophobicContact CE1-CG 4.29Å; F885-L889 HydrophobicContact CE2-CD1 4.31Å; F885-L889 HydrophobicContact CE2-CD2 4.24Å; F885-L889 HydrophobicContact CE2-CG 4.22Å; F885-L889 HydrophobicContact CZ-CD1 3.72Å; F885-L889 HydrophobicContact CZ-CD2 4.16Å; F885-L889 HydrophobicContact CZ-CG 4.11Å; F885-L889 PolarHBondContact O-N 3.48Å |
| 886 | G | 92.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.6 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E717 I882 Q883 L888 L889 R890 | E717-G886 WeakPolarHBondContact OE1-CA 3.1Å; I882-G886 PolarHBondContact O-N 3.3Å; Q883-G886 PolarHBondContact O-N 3.22Å; G886-L888 PolarHBondContact O-N 3.11Å; G886-L889 PolarHBondContact O-N 2.8Å; G886-R890 WeakPolarHBondContact O-CG 3.36Å; G886-R890 PolarHBondContact O-N 2.93Å |
| 887 | K | 91.8 | Very high | 83.2 | Confident | 129 Ų | 129 | 83.4 Ų | 83.4 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.4 | -39.5 | 173.6 | -170.4 | 175.5 | -177.5 | 176.6 | 0 | 112.5 | Q883 F885 Q891 | Q883-K887 WeakPolarHBondContact O-CB 3.3Å; Q883-K887 PolarHBondContact O-N 3.06Å; F885-K887 VanDerWaalsContact C-N 3.27Å; F885-K887 PolarHBondContact O-N 3.14Å; K887-Q891 VanDerWaalsContact O-CG 3.28Å; K887-Q891 WeakPolarHBondContact O-CG 3.45Å; K887-Q891 PolarHBondContact O-N 2.93Å; K887-Q891 VanDerWaalsContact O-N 3.15Å |
| 888 | L | 90.5 | Very high | 83 | Confident | 14 Ų | 14 | 82.9 Ų | 82.9 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 176 | 176.6 | 64.5 | 0 | 0 | 0 | 110.9 | F691 I851 K878 Q884 F885 G886 R890 Q891 I892 | F691-L888 HydrophobicContact CB-CD2 4.38Å; F691-L888 HydrophobicContact CD2-CD2 3.83Å; I851-L888 HydrophobicContact CD1-CD2 3.75Å; I851-L888 HydrophobicContact CD1-CG 4.32Å; K878-L888 HydrophobicContact CD-CB 4.42Å; K878-L888 HydrophobicContact CD-CD1 4.48Å; K878-L888 HydrophobicContact CD-CD2 4.17Å; Q884-L888 WeakPolarHBondContact O-CB 3.19Å; Q884-L888 PolarHBondContact O-N 3.14Å; Q884-L888 VanDerWaalsContact O-N 3.08Å; F885-L888 WeakPolarHBondContact O-CA 3.48Å; F885-L888 WeakPolarHBondContact O-CB 3.21Å; F885-L888 PolarHBondContact O-N 2.85Å; G886-L888 PolarHBondContact O-N 3.11Å; L888-R890 PolarHBondContact O-N 3.12Å; L888-Q891 WeakPolarHBondContact O-CB 3.25Å; L888-Q891 PolarHBondContact O-N 3.1Å; L888-Q891 VanDerWaalsContact O-N 3.09Å; L888-I892 HydrophobicContact CD1-CD1 4.1Å; L888-I892 HydrophobicContact CD1-CG1 4.29Å; L888-I892 HydrophobicContact CG-CD1 3.9Å; L888-I892 HydrophobicContact CG-CG1 4.48Å; L888-I892 WeakPolarHBondContact O-CG1 3.07Å; L888-I892 PolarHBondContact O-N 3.24Å |
| 889 | L | 89.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 177.5 | -69.2 | 176.5 | 0 | 0 | 0 | 111.8 | Y718 I721 T722 I851 F885 G886 Q891 I892 Q893 | Y718-L889 HydrophobicContact CD2-CD1 4.09Å; Y718-L889 HydrophobicContact CD2-CD2 3.8Å; Y718-L889 HydrophobicContact CE2-CD2 4.25Å; I721-L889 HydrophobicContact CB-CD1 4.45Å; I721-L889 HydrophobicContact CD1-CB 4.26Å; I721-L889 HydrophobicContact CD1-CD1 4.11Å; I721-L889 HydrophobicContact CG2-CB 3.91Å; T722-L889 HydrophobicContact CG2-CD2 4.28Å; I851-L889 HydrophobicContact CD1-CD2 3.81Å; I851-L889 HydrophobicContact CG2-CD2 4.18Å; F885-L889 HydrophobicContact CD1-CD1 3.95Å; F885-L889 HydrophobicContact CE1-CD1 3.52Å; F885-L889 HydrophobicContact CE1-CG 4.29Å; F885-L889 HydrophobicContact CE2-CD1 4.31Å; F885-L889 HydrophobicContact CE2-CD2 4.24Å; F885-L889 HydrophobicContact CE2-CG 4.22Å; F885-L889 HydrophobicContact CZ-CD1 3.72Å; F885-L889 HydrophobicContact CZ-CD2 4.16Å; F885-L889 HydrophobicContact CZ-CG 4.11Å; F885-L889 PolarHBondContact O-N 3.48Å; G886-L889 PolarHBondContact O-N 2.8Å; L889-Q891 VanDerWaalsContact C-N 3.27Å; L889-Q891 PolarHBondContact O-N 2.92Å; L889-I892 PolarHBondContact O-N 2.81Å; L889-I892 VanDerWaalsContact O-N 3.16Å; L889-Q893 WeakPolarHBondContact O-CB 3.39Å; L889-Q893 PolarHBondContact O-N 2.87Å |
| 890 | R | 88.7 | Confident | 82.3 | Confident | 136 Ų | 136 | 82.4 Ų | 82.4 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61 | -34.7 | 175.6 | -67.8 | 173.4 | -164.4 | 150.4 | 10.1 | 112.2 | E717 I721 G886 L888 K894 | E717-R890 IonicContact OE1-NH2 3.5Å; I721-R890 HydrophobicContact CD1-CG 4.37Å; I721-R890 HydrophobicContact CG2-CG 4.05Å; G886-R890 WeakPolarHBondContact O-CG 3.36Å; G886-R890 PolarHBondContact O-N 2.93Å; L888-R890 PolarHBondContact O-N 3.12Å; R890-K894 WeakPolarHBondContact O-CB 3.46Å; R890-K894 VanDerWaalsContact O-CG 3.25Å; R890-K894 WeakPolarHBondContact O-CG 3.21Å; R890-K894 PolarHBondContact O-N 3.05Å |
| 891 | Q | 85.7 | Confident | 81.7 | Confident | 103 Ų | 103 | 87.1 Ų | 87.1 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 174.4 | -75 | 173.6 | -11.5 | 0 | 0 | 112.4 | K887 L888 L889 K894 K895 | K887-Q891 VanDerWaalsContact O-CG 3.28Å; K887-Q891 WeakPolarHBondContact O-CG 3.45Å; K887-Q891 PolarHBondContact O-N 2.93Å; K887-Q891 VanDerWaalsContact O-N 3.15Å; L888-Q891 WeakPolarHBondContact O-CB 3.25Å; L888-Q891 PolarHBondContact O-N 3.1Å; L888-Q891 VanDerWaalsContact O-N 3.09Å; L889-Q891 VanDerWaalsContact C-N 3.27Å; L889-Q891 PolarHBondContact O-N 2.92Å; Q891-K894 PolarHBondContact O-N 3.39Å; Q891-K895 PolarHBondContact O-N 3.17Å |
| 892 | I | 80.6 | Confident | 80.9 | Confident | 17 Ų | 17 | 89.4 Ų | 89.4 | 9% | 0.087 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 177.7 | -63.7 | 168.5 | 0 | 0 | 0 | 110.4 | I794 R849 I851 L888 L889 | I794-I892 HydrophobicContact CD1-CB 4.06Å; I794-I892 HydrophobicContact CD1-CG2 3.56Å; I794-I892 HydrophobicContact CG1-CG2 3.92Å; R849-I892 HydrophobicContact CB-CG2 4.2Å; R849-I892 PolarHBondContact NH1-O 3.31Å; I851-I892 HydrophobicContact CD1-CD1 4.2Å; L888-I892 HydrophobicContact CD1-CD1 4.1Å; L888-I892 HydrophobicContact CD1-CG1 4.29Å; L888-I892 HydrophobicContact CG-CD1 3.9Å; L888-I892 HydrophobicContact CG-CG1 4.48Å; L888-I892 WeakPolarHBondContact O-CG1 3.07Å; L888-I892 PolarHBondContact O-N 3.24Å; L889-I892 PolarHBondContact O-N 2.81Å; L889-I892 VanDerWaalsContact O-N 3.16Å |
| 893 | Q | 77.2 | Confident | 79.9 | Confident | 76 Ų | 76 | 92.5 Ų | 92.5 | 36% | 0.355 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69 | -39.5 | 177.6 | -164.1 | -179.4 | 27 | 0 | 0 | 112 | I721 I794 L889 K895 K896 | I721-Q893 PolarHBondContact O-NE2 3.04Å; I721-Q893 PolarHBondContact O-OE1 2.69Å; I794-Q893 HydrophobicContact CD1-CB 4.35Å; L889-Q893 WeakPolarHBondContact O-CB 3.39Å; L889-Q893 PolarHBondContact O-N 2.87Å; Q893-K895 VanDerWaalsContact C-N 3.3Å; Q893-K895 PolarHBondContact O-N 3.28Å; Q893-K896 WeakPolarHBondContact O-CB 3.35Å; Q893-K896 PolarHBondContact O-N 3.2Å |
| 894 | K | 70.6 | Confident | 79 | Confident | 162 Ų | 162 | 88 Ų | 88 | 70% | 0.704 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.5 | -33.1 | 178.1 | -83.9 | -178.3 | -177.8 | -171.6 | 0 | 113.6 | R890 Q891 K896 K897 | R890-K894 WeakPolarHBondContact O-CB 3.46Å; R890-K894 VanDerWaalsContact O-CG 3.25Å; R890-K894 WeakPolarHBondContact O-CG 3.21Å; R890-K894 PolarHBondContact O-N 3.05Å; Q891-K894 PolarHBondContact O-N 3.39Å; K894-K896 PolarHBondContact O-N 3.41Å; K894-K897 PolarHBondContact O-N 2.79Å |
| 895 | K | 64 | Low | 77.8 | Confident | 122 Ų | 122 | 88.7 Ų | 88.7 | 53% | 0.53 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -6.6 | 173.2 | -68.8 | -176.1 | 179 | -178.5 | 0 | 113.6 | R849 Q891 Q893 | R849-K895 PolarHBondContact NH1-O 3.46Å; R849-K895 VanDerWaalsContact NH1-O 3.16Å; R849-K895 PolarHBondContact NH2-O 2.81Å; Q891-K895 PolarHBondContact O-N 3.17Å; Q893-K895 VanDerWaalsContact C-N 3.3Å; Q893-K895 PolarHBondContact O-N 3.28Å |
| 896 | K | 49.8 | Very low | 76.4 | Confident | 145 Ų | 145 | 96.1 Ų | 96.1 | 63% | 0.63 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -23.1 | 179.4 | -160.1 | -178.4 | -178 | -179 | 0 | 111.4 | R849 Q893 K894 | R849-K896 VanDerWaalsContact NH1-CA 3.27Å; Q893-K896 WeakPolarHBondContact O-CB 3.35Å; Q893-K896 PolarHBondContact O-N 3.2Å; K894-K896 PolarHBondContact O-N 3.41Å |
| 897 | K | 35.6 | Very low | 74.9 | Confident | 249 Ų | 249 | 104.8 Ų | 104.8 | 100% | 1.083 | 46% | 0.456 | S | S | * | . | trans | -92.2 | 0 | 166.7 | -66.4 | -173.9 | 177.7 | -173.9 | 0 | 108.5 | K894 | K894-K897 PolarHBondContact O-N 2.79Š|
Retrieved 897 of 897 residues in 2612.2 ms
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