| 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 | 47.1 | Very low | 83.7 | Confident | 243 Ų | 243 | 66.8 Ų | 66.8 | 100% | 1.197 | 35% | 0.348 | S | S | * | . | 0 | 133.2 | 0 | -82.9 | -176 | -90.9 | 0 | 0 | 107.4 | |||||
| 2 | V | 61.1 | Low | 84.5 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | trans | -67 | 141.7 | 174.6 | -178 | 0 | 0 | 0 | 0 | 107.7 | S4 Y7 I115 L154 | V2-S4 PolarHBondContact O-N 3.18Å; V2-Y7 HydrophobicContact CB-CD1 4.01Å; V2-Y7 HydrophobicContact CB-CE1 4.47Å; V2-Y7 HydrophobicContact CG1-CD1 4.02Å; V2-Y7 WeakPolarHBondContact O-CE1 3.05Å; V2-I115 HydrophobicContact CG1-CD1 3.82Å; V2-I115 HydrophobicContact CG1-CG1 4.07Å; V2-I115 HydrophobicContact CG2-CD1 3.88Å; V2-L154 HydrophobicContact CG1-CD1 3.86Å | ||
| 3 | D | 76.9 | Confident | 85.1 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | trans | -60.3 | 130.2 | 172.4 | 178.3 | -11 | 0 | 0 | 0 | 109.4 | Q5 Y6 | D3-Q5 PolarHBondContact O-N 3.35Å; D3-Q5 WeakPolarHBondContact OD1-CG 3.45Å; D3-Q5 PolarHBondContact OD1-N 3.05Å; D3-Q5 PolarHBondContact OD2-NE2 3.32Å; D3-Y6 HydrophobicContact CB-CD2 3.9Å; D3-Y6 HydrophobicContact CB-CE2 4.12Å; D3-Y6 PolarHBondContact O-N 3.32Å | ||
| 4 | S | 81.9 | Confident | 85.8 | Confident | 43 Ų | 43 | 57.4 Ų | 57.4 | 30% | 0.301 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -55.1 | -14.9 | -179.7 | 72.6 | 0 | 0 | 0 | 0 | 114.8 | V2 Y6 K665 | V2-S4 PolarHBondContact O-N 3.18Å; S4-Y6 VanDerWaalsContact C-N 3.33Å; S4-K665 WeakPolarHBondContact O-CE 3.47Å; S4-K665 PolarHBondContact O-NZ 2.92Å; S4-K665 VanDerWaalsContact OG-CE 3.27Å; S4-K665 WeakPolarHBondContact OG-CE 3.37Å |
| 5 | Q | 87.4 | Confident | 86.4 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -64.9 | -35.3 | 171.3 | -68.5 | -179.4 | 90.7 | 0 | 0 | 112.7 | D3 K107 L662 | D3-Q5 PolarHBondContact O-N 3.35Å; D3-Q5 WeakPolarHBondContact OD1-CG 3.45Å; D3-Q5 PolarHBondContact OD1-N 3.05Å; D3-Q5 PolarHBondContact OD2-NE2 3.32Å; Q5-K107 PolarHBondContact O-NZ 3.09Å; Q5-L662 HydrophobicContact CG-CD2 4.02Å |
| 6 | Y | 94.6 | Very high | 86.9 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 14% | 0.137 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -105.8 | 17 | -169.4 | -51.3 | -69.7 | 0 | 0 | 0 | 114.2 | D3 S4 T112 F114 I115 L154 K159 | D3-Y6 HydrophobicContact CB-CD2 3.9Å; D3-Y6 HydrophobicContact CB-CE2 4.12Å; D3-Y6 PolarHBondContact O-N 3.32Å; S4-Y6 VanDerWaalsContact C-N 3.33Å; Y6-T112 HydrophobicContact CD1-CG2 3.67Å; Y6-T112 HydrophobicContact CE1-CG2 3.57Å; Y6-F114 CarbonylContact O-C 3.24Å; Y6-F114 VanDerWaalsContact O-CA 3.26Å; Y6-F114 WeakPolarHBondContact O-CA 3.45Å; Y6-I115 WeakPolarHBondContact O-CG1 3.5Å; Y6-I115 PolarHBondContact O-N 2.99Å; Y6-L154 HydrophobicContact CD1-CD2 4.06Å; Y6-L154 HydrophobicContact CD2-CD1 4.14Å; Y6-L154 HydrophobicContact CD2-CD2 4.4Å; Y6-L154 HydrophobicContact CG-CD1 4.19Å; Y6-L154 HydrophobicContact CG-CD2 3.81Å; Y6-K159 HydrophobicContact CE1-CB 3.79Å; Y6-K159 HydrophobicContact CE1-CD 4.32Å; Y6-K159 HydrophobicContact CE1-CG 3.91Å; Y6-K159 HydrophobicContact CE2-CD 4.47Å |
| 7 | Y | 94.8 | Very high | 87.3 | Confident | 52 Ų | 52 | 51.2 Ų | 51.2 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -137.4 | 166.6 | 166.5 | 68.8 | -100.2 | 0 | 0 | 0 | 110.9 | V2 P9 N117 | V2-Y7 HydrophobicContact CB-CD1 4.01Å; V2-Y7 HydrophobicContact CB-CE1 4.47Å; V2-Y7 HydrophobicContact CG1-CD1 4.02Å; V2-Y7 WeakPolarHBondContact O-CE1 3.05Å; Y7-P9 HydrophobicContact CE2-CB 4.42Å; Y7-N117 HydrophobicContact CD2-CB 3.87Å; Y7-N117 HydrophobicContact CG-CB 3.98Å |
| 8 | L | 96.1 | Very high | 87.6 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | trans | -100.5 | 126 | 173.2 | -60.6 | 178.8 | 0 | 0 | 0 | 108.2 | I12 V94 F114 | L8-I12 HydrophobicContact CB-CD1 4.26Å; L8-I12 HydrophobicContact CD2-CD1 4.03Å; L8-V94 HydrophobicContact CB-CG1 3.5Å; L8-V94 HydrophobicContact CD1-CG1 4.43Å; L8-F114 HydrophobicContact CD1-CD2 3.82Å; L8-F114 HydrophobicContact CD1-CE2 3.94Å; L8-F114 HydrophobicContact CD1-CG 4.32Å; L8-F114 HydrophobicContact CG-CB 4.33Å; L8-F114 HydrophobicContact CG-CD2 4.01Å; L8-F114 HydrophobicContact CG-CG 4.19Å | ||
| 9 | P | 94.4 | Very high | 87.9 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 20% | 0.201 | 29% | 0.285 | C | S | . | . | trans | -71.5 | 150.4 | -175 | 31.6 | -36.4 | 0 | 0 | 0 | 111.2 | Y7 D11 I12 A667 | Y7-P9 HydrophobicContact CE2-CB 4.42Å; P9-D11 WeakPolarHBondContact CB-OD1 3.42Å; P9-D11 PolarHBondContact O-N 3.22Å; P9-D11 VanDerWaalsContact O-N 3.15Å; P9-I12 HydrophobicContact CG-CB 4.13Å; P9-I12 VanDerWaalsContact O-CB 3.26Å; P9-I12 WeakPolarHBondContact O-CB 3.35Å; P9-I12 VanDerWaalsContact O-CG2 3.3Å; P9-I12 WeakPolarHBondContact O-CG2 3.41Å; P9-I12 PolarHBondContact O-N 3.21Å; P9-A667 HydrophobicContact CG-CB 3.68Å | ||
| 10 | N | 95.1 | Very high | 88.2 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.5 | -174 | -74.4 | 10.9 | 0 | 0 | 0 | 113.7 | E87 Q90 A91 | N10-E87 WeakPolarHBondContact ND2-CG 3.42Å; N10-E87 PolarHBondContact ND2-O 3.48Å; N10-Q90 HydrophobicContact CB-CG 4.01Å; N10-Q90 PolarHBondContact O-NE2 3.12Å; N10-A91 VanDerWaalsContact OD1-CA 3.25Å; N10-A91 WeakPolarHBondContact OD1-CA 3.48Å; N10-A91 VanDerWaalsContact OD1-CB 3.31Å; N10-A91 WeakPolarHBondContact OD1-CB 3.24Å |
| 11 | D | 91.8 | Very high | 88.3 | Confident | 130 Ų | 130 | 57.2 Ų | 57.2 | 70% | 0.695 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 15.7 | 179.2 | 68.4 | -23.3 | 0 | 0 | 0 | 113.1 | P9 G13 | P9-D11 WeakPolarHBondContact CB-OD1 3.42Å; P9-D11 PolarHBondContact O-N 3.22Å; P9-D11 VanDerWaalsContact O-N 3.15Å; D11-G13 PolarHBondContact O-N 3.5Å |
| 12 | I | 93.3 | Very high | 90.4 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 9% | 0.087 | 25% | 0.249 | C | C | . | . | trans | -51.4 | 134.2 | 174.8 | -169.4 | 165.9 | 0 | 0 | 0 | 110.7 | L8 P9 I14 V94 A667 R668 M670 | L8-I12 HydrophobicContact CB-CD1 4.26Å; L8-I12 HydrophobicContact CD2-CD1 4.03Å; P9-I12 HydrophobicContact CG-CB 4.13Å; P9-I12 VanDerWaalsContact O-CB 3.26Å; P9-I12 WeakPolarHBondContact O-CB 3.35Å; P9-I12 VanDerWaalsContact O-CG2 3.3Å; P9-I12 WeakPolarHBondContact O-CG2 3.41Å; P9-I12 PolarHBondContact O-N 3.21Å; I12-I14 HydrophobicContact CG2-CG1 4.47Å; I12-I14 PolarHBondContact O-N 2.56Å; I12-V94 HydrophobicContact CG2-CG1 3.71Å; I12-V94 HydrophobicContact CG2-CG2 4.09Å; I12-A667 HydrophobicContact CD1-CB 3.77Å; I12-A667 HydrophobicContact CG1-CB 3.82Å; I12-R668 WeakPolarHBondContact CD1-O 3.32Å; I12-M670 HydrophobicContact CD1-CE 4.27Å; I12-M670 HydrophobicContact CD1-CG 4.46Å; I12-M670 HydrophobicContact CG2-CE 3.74Å | ||
| 13 | G | 92.3 | Very high | 92 | Very high | 30 Ų | 30 | 44.3 Ų | 44.3 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | trans | -67.5 | 134.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D11 K669 M670 | D11-G13 PolarHBondContact O-N 3.5Å; G13-K669 CarbonylContact O-C 3.4Å; G13-K669 WeakPolarHBondContact O-CA 3.42Å; G13-K669 WeakPolarHBondContact O-CB 3.28Å; G13-M670 PolarHBondContact O-N 3Å | ||
| 14 | I | 94.4 | Very high | 92.8 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 139.3 | 175.6 | -58.5 | 177.5 | 0 | 0 | 0 | 107.5 | I12 M670 V672 A707 | I12-I14 HydrophobicContact CG2-CG1 4.47Å; I12-I14 PolarHBondContact O-N 2.56Å; I14-M670 WeakPolarHBondContact CA-O 3.47Å; I14-M670 HydrophobicContact CD1-CE 3.6Å; I14-M670 HydrophobicContact CG1-CB 4.29Å; I14-M670 HydrophobicContact CG1-CE 3.81Å; I14-V672 HydrophobicContact CG2-CG2 3.46Å; I14-V672 VanDerWaalsContact CG2-CG2 3.46Å; I14-A707 HydrophobicContact CD1-CB 3.8Å |
| 15 | S | 94.9 | Very high | 93.3 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 131 | -177.7 | -60.8 | 0 | 0 | 0 | 0 | 110.6 | M670 F671 V672 | S15-M670 PolarHBondContact N-O 3.41Å; S15-F671 CarbonylContact O-C 3.49Å; S15-F671 VanDerWaalsContact O-CA 3.3Å; S15-F671 WeakPolarHBondContact O-CA 3.36Å; S15-V672 PolarHBondContact O-N 2.96Å |
| 16 | A | 94.5 | Very high | 93.6 | Very high | 34 Ų | 34 | 51.4 Ų | 51.4 | 28% | 0.281 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 136.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | D18 V672 S705 | A16-D18 PolarHBondContact O-N 3.35Å; A16-V672 WeakPolarHBondContact CA-O 3.45Å; A16-V672 HydrophobicContact CB-CB 4.28Å; A16-S705 WeakPolarHBondContact CB-OG 3.39Å; A16-S705 PolarHBondContact N-OG 3.13Å |
| 17 | L | 94.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 118.2 | 170.1 | -70.1 | -175.7 | 0 | 0 | 0 | 109.3 | C19 V377 I385 V411 V414 F671 V672 Q673 | L17-C19 PolarHBondContact O-N 3.38Å; L17-V377 HydrophobicContact CD1-CB 4.32Å; L17-V377 HydrophobicContact CD1-CG1 4.21Å; L17-I385 HydrophobicContact CD1-CD1 3.73Å; L17-V411 HydrophobicContact CD1-CG2 4.24Å; L17-V411 HydrophobicContact CD2-CG2 4.06Å; L17-V414 HydrophobicContact CD2-CG2 4.28Å; L17-F671 HydrophobicContact CD2-CD1 3.46Å; L17-F671 VanDerWaalsContact CD2-CD1 3.46Å; L17-F671 HydrophobicContact CD2-CE1 3.81Å; L17-F671 HydrophobicContact CD2-CG 4.32Å; L17-F671 HydrophobicContact CG-CB 4.3Å; L17-F671 HydrophobicContact CG-CD1 3.95Å; L17-F671 HydrophobicContact CG-CG 4.44Å; L17-V672 PolarHBondContact N-O 2.81Å; L17-Q673 HydrophobicContact CD1-CG 4.12Å |
| 18 | D | 92.6 | Very high | 93.7 | Very high | 100 Ų | 100 | 54 Ų | 54 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 119.2 | 174 | -171.4 | -2.6 | 0 | 0 | 0 | 109.9 | A16 R20 N410 | A16-D18 PolarHBondContact O-N 3.35Å; D18-R20 WeakPolarHBondContact OD1-CB 3.41Å; D18-R20 PolarHBondContact OD1-N 2.89Å; D18-N410 VanDerWaalsContact O-CB 3.29Å; D18-N410 WeakPolarHBondContact O-CB 3.36Å; D18-N410 PolarHBondContact O-ND2 2.76Å |
| 19 | C | 93.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.034 | 31% | 0.307 | C | S | . | . | trans | -132.9 | 14.3 | 172.8 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | L17 A22 F23 V377 | L17-C19 PolarHBondContact O-N 3.38Å; C19-A22 PolarHBondContact O-N 2.9Å; C19-F23 VanDerWaalsContact O-CB 3.27Å; C19-F23 WeakPolarHBondContact O-CB 3.39Å; C19-F23 PolarHBondContact O-N 3.44Å; C19-V377 WeakPolarHBondContact CB-O 3.49Å | ||
| 20 | R | 92.9 | Very high | 93.9 | Very high | 130 Ų | 130 | 58.6 Ų | 58.6 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -52.1 | -170.8 | 179.8 | -171.5 | -62.4 | -92.2 | 2.1 | 111.9 | D18 F23 R24 E702 | D18-R20 WeakPolarHBondContact OD1-CB 3.41Å; D18-R20 PolarHBondContact OD1-N 2.89Å; R20-F23 PolarHBondContact O-N 2.65Å; R20-R24 WeakPolarHBondContact O-CB 3.33Å; R20-R24 PolarHBondContact O-N 3.05Å; R20-E702 IonicContact CZ-OE1 2.9Å; R20-E702 VanDerWaalsContact CZ-OE1 3.28Å; R20-E702 IonicContact CZ-OE2 2.64Å; R20-E702 IonicContact NE-OE1 3.65Å; R20-E702 PolarHBondContact NE-OE1 3.17Å; R20-E702 IonicContact NE-OE2 2.73Å; R20-E702 IonicContact NH1-OE2 3.91Å; R20-E702 PolarHBondContact NH1-OE2 3.37Å; R20-E702 IonicContact NH2-OE1 3.41Å; R20-E702 PolarHBondContact NH2-OE1 2.83Å; R20-E702 IonicContact NH2-OE2 2.89Å; R20-E702 PolarHBondContact NH2-OE2 3.04Å |
| 21 | E | 90.6 | Very high | 94 | Very high | 96 Ų | 96 | 58.6 Ų | 58.6 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | -179.1 | -75.2 | -55.5 | 120.3 | 0 | 0 | 111.3 | F23 R24 L25 | E21-F23 PolarHBondContact O-N 3.01Å; E21-R24 PolarHBondContact O-N 3.47Å; E21-R24 IonicContact OE1-NE 2.67Å; E21-R24 PolarHBondContact OE1-NE 2.96Å; E21-R24 IonicContact OE2-CZ 2.74Å; E21-R24 VanDerWaalsContact OE2-CZ 3.24Å; E21-R24 IonicContact OE2-NE 2.87Å; E21-R24 PolarHBondContact OE2-NE 3.32Å; E21-R24 IonicContact OE2-NH2 2.63Å; E21-R24 PolarHBondContact OE2-NH2 2.93Å; E21-L25 WeakPolarHBondContact O-CG 3.26Å; E21-L25 PolarHBondContact O-N 3.22Å |
| 22 | A | 91.7 | Very high | 94.3 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -48 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C19 L25 V333 D376 | C19-A22 PolarHBondContact O-N 2.9Å; A22-L25 PolarHBondContact O-N 3.12Å; A22-V333 HydrophobicContact CB-CB 3.99Å; A22-V333 HydrophobicContact CB-CG1 4.18Å; A22-D376 HydrophobicContact CB-CB 3.84Å |
| 23 | F | 94.7 | Very high | 94.6 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 6% | 0.057 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 176.6 | -176.1 | -95.5 | 0 | 0 | 0 | 113.2 | C19 R20 E21 L25 L26 K31 L378 T676 V698 L700 | C19-F23 VanDerWaalsContact O-CB 3.27Å; C19-F23 WeakPolarHBondContact O-CB 3.39Å; C19-F23 PolarHBondContact O-N 3.44Å; R20-F23 PolarHBondContact O-N 2.65Å; E21-F23 PolarHBondContact O-N 3.01Å; F23-L25 PolarHBondContact O-N 2.89Å; F23-L26 HydrophobicContact CD2-CD1 4.06Å; F23-L26 WeakPolarHBondContact O-CB 3.5Å; F23-L26 PolarHBondContact O-N 3.3Å; F23-K31 HydrophobicContact CE1-CD 4.02Å; F23-K31 HydrophobicContact CE1-CG 4.5Å; F23-K31 HydrophobicContact CE2-CB 4.47Å; F23-K31 HydrophobicContact CE2-CD 4.39Å; F23-K31 HydrophobicContact CE2-CG 4.03Å; F23-K31 HydrophobicContact CZ-CB 4.43Å; F23-K31 HydrophobicContact CZ-CD 3.8Å; F23-K31 HydrophobicContact CZ-CG 3.94Å; F23-K31 VanDerWaalsContact O-CE 3.28Å; F23-K31 WeakPolarHBondContact O-CE 3.26Å; F23-L378 HydrophobicContact CD2-CD1 4.23Å; F23-L378 HydrophobicContact CD2-CD2 4.29Å; F23-T676 HydrophobicContact CE2-CG2 3.96Å; F23-V698 HydrophobicContact CE2-CG1 4.41Å; F23-V698 HydrophobicContact CZ-CB 4.35Å; F23-V698 HydrophobicContact CZ-CG1 4.01Å; F23-L700 HydrophobicContact CB-CD2 4.2Å; F23-L700 HydrophobicContact CD1-CB 3.72Å; F23-L700 HydrophobicContact CD1-CD2 4.39Å; F23-L700 HydrophobicContact CD1-CG 4.45Å; F23-L700 HydrophobicContact CD2-CD1 4.23Å; F23-L700 HydrophobicContact CE1-CB 3.78Å; F23-L700 HydrophobicContact CG-CB 4.22Å; F23-L700 HydrophobicContact CG-CD1 4.19Å; F23-L700 HydrophobicContact CG-CD2 4.35Å; F23-L700 HydrophobicContact CZ-CB 4.33Å |
| 24 | R | 93.9 | Very high | 94.9 | Very high | 153 Ų | 153 | 50.8 Ų | 50.8 | 58% | 0.577 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.7 | -32.7 | 178.4 | -173.5 | 179.4 | 71.1 | 83.4 | 1.1 | 112.2 | R20 E21 L26 | R20-R24 WeakPolarHBondContact O-CB 3.33Å; R20-R24 PolarHBondContact O-N 3.05Å; E21-R24 PolarHBondContact O-N 3.47Å; E21-R24 IonicContact OE1-NE 2.67Å; E21-R24 PolarHBondContact OE1-NE 2.96Å; E21-R24 IonicContact OE2-CZ 2.74Å; E21-R24 VanDerWaalsContact OE2-CZ 3.24Å; E21-R24 IonicContact OE2-NE 2.87Å; E21-R24 PolarHBondContact OE2-NE 3.32Å; E21-R24 IonicContact OE2-NH2 2.63Å; E21-R24 PolarHBondContact OE2-NH2 2.93Å; R24-L26 VanDerWaalsContact C-N 3.28Å; R24-L26 PolarHBondContact O-N 3.47Å |
| 25 | L | 91.4 | Very high | 95 | Very high | 128 Ų | 128 | 50.1 Ų | 50.1 | 67% | 0.67 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -13.1 | -179.3 | -67.5 | 172.7 | 0 | 0 | 0 | 113.8 | E21 A22 F23 | E21-L25 WeakPolarHBondContact O-CG 3.26Å; E21-L25 PolarHBondContact O-N 3.22Å; A22-L25 PolarHBondContact O-N 3.12Å; F23-L25 PolarHBondContact O-N 2.89Å |
| 26 | L | 94.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -72.6 | 137.3 | 178.4 | -60 | -177.2 | 0 | 0 | 0 | 111.8 | F23 R24 E30 K31 A34 I306 V307 V333 | F23-L26 HydrophobicContact CD2-CD1 4.06Å; F23-L26 WeakPolarHBondContact O-CB 3.5Å; F23-L26 PolarHBondContact O-N 3.3Å; R24-L26 VanDerWaalsContact C-N 3.28Å; R24-L26 PolarHBondContact O-N 3.47Å; L26-E30 HydrophobicContact CB-CB 4.06Å; L26-E30 HydrophobicContact CD2-CB 4.12Å; L26-K31 HydrophobicContact CB-CG 3.57Å; L26-K31 HydrophobicContact CD1-CG 4.19Å; L26-K31 WeakPolarHBondContact O-CE 3.24Å; L26-A34 HydrophobicContact CD1-CB 4.32Å; L26-I306 HydrophobicContact CD2-CG2 3.71Å; L26-V307 HydrophobicContact CD1-CG2 4.23Å; L26-V307 HydrophobicContact CD2-CG2 3.72Å; L26-V333 HydrophobicContact CD1-CG2 3.95Å; L26-V333 HydrophobicContact CD2-CG1 3.76Å; L26-V333 HydrophobicContact CD2-CG2 3.96Å; L26-V333 HydrophobicContact CG-CG2 4.25Å |
| 27 | S | 95.8 | Very high | 95.4 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | trans | -65.5 | 162.4 | 166.2 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | Q29 E30 K31 | S27-Q29 VanDerWaalsContact C-N 3.27Å; S27-Q29 PolarHBondContact O-N 3.4Å; S27-E30 VanDerWaalsContact CB-OE2 3.23Å; S27-E30 WeakPolarHBondContact CB-OE2 3.47Å; S27-E30 PolarHBondContact N-OE2 3.09Å; S27-E30 PolarHBondContact O-N 3.38Å; S27-E30 WeakPolarHBondContact OG-CB 3.44Å; S27-E30 VanDerWaalsContact OG-CG 3.27Å; S27-E30 WeakPolarHBondContact OG-CG 3.49Å; S27-E30 PolarHBondContact OG-N 3.47Å; S27-E30 PolarHBondContact OG-OE2 2.97Å; S27-K31 WeakPolarHBondContact O-CG 3.3Å; S27-K31 PolarHBondContact O-N 3.19Å | ||
| 28 | P | 95.5 | Very high | 95.6 | Very high | 97 Ų | 97 | 48.6 Ų | 48.6 | 63% | 0.63 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -55.6 | -39.5 | 177 | -27.5 | 36.1 | 0 | 0 | 0 | 113.8 | K31 M32 | P28-K31 PolarHBondContact O-N 3.15Å; P28-M32 PolarHBondContact O-N 3.19Å; P28-M32 VanDerWaalsContact O-N 3.11Å |
| 29 | Q | 96.1 | Very high | 95.9 | Very high | 98 Ų | 98 | 45 Ų | 45 | 46% | 0.458 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.8 | -47 | 176.3 | 178.9 | 178.6 | -7.9 | 0 | 0 | 111.6 | S27 K31 M32 Y33 Y267 | S27-Q29 VanDerWaalsContact C-N 3.27Å; S27-Q29 PolarHBondContact O-N 3.4Å; Q29-K31 VanDerWaalsContact C-N 3.28Å; Q29-K31 PolarHBondContact O-N 3.3Å; Q29-M32 PolarHBondContact O-N 3.43Å; Q29-Y33 PolarHBondContact O-N 2.96Å; Q29-Y267 HydrophobicContact CG-CD1 4.27Å; Q29-Y267 WeakPolarHBondContact CG-O 3.38Å; Q29-Y267 PolarHBondContact NE2-O 2.81Å |
| 30 | E | 97.8 | Very high | 96.2 | Very high | 45 Ų | 45 | 44.8 Ų | 44.8 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -34.1 | 178.3 | -71.9 | 160.4 | 150.9 | 0 | 0 | 112 | L26 S27 Y33 A34 I306 V307 | L26-E30 HydrophobicContact CB-CB 4.06Å; L26-E30 HydrophobicContact CD2-CB 4.12Å; S27-E30 VanDerWaalsContact CB-OE2 3.23Å; S27-E30 WeakPolarHBondContact CB-OE2 3.47Å; S27-E30 PolarHBondContact N-OE2 3.09Å; S27-E30 PolarHBondContact O-N 3.38Å; S27-E30 WeakPolarHBondContact OG-CB 3.44Å; S27-E30 VanDerWaalsContact OG-CG 3.27Å; S27-E30 WeakPolarHBondContact OG-CG 3.49Å; S27-E30 PolarHBondContact OG-N 3.47Å; S27-E30 PolarHBondContact OG-OE2 2.97Å; E30-Y33 PolarHBondContact O-N 3.5Å; E30-A34 VanDerWaalsContact O-CB 3.27Å; E30-A34 WeakPolarHBondContact O-CB 3.21Å; E30-A34 PolarHBondContact O-N 3.28Å; E30-I306 WeakPolarHBondContact OE1-CB 3.42Å; E30-I306 WeakPolarHBondContact OE1-CG1 3.44Å; E30-I306 WeakPolarHBondContact OE1-CG2 3.49Å; E30-V307 HydrophobicContact CB-CG2 3.96Å; E30-V307 HydrophobicContact CG-CG2 4.41Å |
| 31 | K | 97.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 38.7 Ų | 38.7 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | 174 | -71.1 | -179.8 | 177.8 | 176 | 0 | 112.6 | F23 L26 S27 P28 Q29 A34 H35 V698 | F23-K31 HydrophobicContact CE1-CD 4.02Å; F23-K31 HydrophobicContact CE1-CG 4.5Å; F23-K31 HydrophobicContact CE2-CB 4.47Å; F23-K31 HydrophobicContact CE2-CD 4.39Å; F23-K31 HydrophobicContact CE2-CG 4.03Å; F23-K31 HydrophobicContact CZ-CB 4.43Å; F23-K31 HydrophobicContact CZ-CD 3.8Å; F23-K31 HydrophobicContact CZ-CG 3.94Å; F23-K31 VanDerWaalsContact O-CE 3.28Å; F23-K31 WeakPolarHBondContact O-CE 3.26Å; L26-K31 HydrophobicContact CB-CG 3.57Å; L26-K31 HydrophobicContact CD1-CG 4.19Å; L26-K31 WeakPolarHBondContact O-CE 3.24Å; S27-K31 WeakPolarHBondContact O-CG 3.3Å; S27-K31 PolarHBondContact O-N 3.19Å; P28-K31 PolarHBondContact O-N 3.15Å; Q29-K31 VanDerWaalsContact C-N 3.28Å; Q29-K31 PolarHBondContact O-N 3.3Å; K31-A34 PolarHBondContact O-N 3.17Å; K31-H35 VanDerWaalsContact O-CB 3.28Å; K31-H35 WeakPolarHBondContact O-CB 3.42Å; K31-H35 PolarHBondContact O-N 3.45Å; K31-V698 HydrophobicContact CB-CB 3.92Å; K31-V698 HydrophobicContact CB-CG2 4.07Å |
| 32 | M | 98 | Very high | 96.9 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 4% | 0.044 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 174.4 | -72.8 | -62.5 | -79.8 | 0 | 0 | 111.3 | P28 Q29 H35 Y36 Y267 I678 V698 | P28-M32 PolarHBondContact O-N 3.19Å; P28-M32 VanDerWaalsContact O-N 3.11Å; Q29-M32 PolarHBondContact O-N 3.43Å; M32-H35 WeakPolarHBondContact O-CB 3.29Å; M32-H35 PolarHBondContact O-N 3.11Å; M32-Y36 HydrophobicContact CE-CE2 3.6Å; M32-Y36 VanDerWaalsContact O-CD2 3.25Å; M32-Y36 WeakPolarHBondContact O-CD2 3.41Å; M32-Y36 PolarHBondContact O-N 2.77Å; M32-Y36 VanDerWaalsContact O-N 3.08Å; M32-Y267 HydrophobicContact CB-CD1 3.47Å; M32-Y267 VanDerWaalsContact CB-CD1 3.47Å; M32-Y267 HydrophobicContact CB-CD2 4.01Å; M32-Y267 HydrophobicContact CB-CE1 3.6Å; M32-Y267 HydrophobicContact CB-CE2 4.15Å; M32-Y267 HydrophobicContact CB-CG 3.67Å; M32-Y267 HydrophobicContact CE-CE1 4.3Å; M32-Y267 HydrophobicContact CE-CE2 4.19Å; M32-Y267 WeakPolarHBondContact CE-OH 2.97Å; M32-Y267 HydrophobicContact CG-CD1 4.18Å; M32-Y267 HydrophobicContact CG-CE1 3.86Å; M32-I678 HydrophobicContact CE-CD1 3.93Å; M32-I678 HydrophobicContact SD-CD1 4.17Å; M32-I678 HydrophobicContact SD-CG1 4.16Å; M32-V698 HydrophobicContact CG-CG2 4Å; M32-V698 HydrophobicContact SD-CG2 3.27Å; M32-V698 WeakPolarHBondContact SD-CG2 3.26Å |
| 33 | Y | 98.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.1 | -53 | 173.3 | -171.6 | -115 | 0 | 0 | 0 | 111.5 | Q29 E30 H35 Y36 L37 A264 A268 M276 L277 V307 | Q29-Y33 PolarHBondContact O-N 2.96Å; E30-Y33 PolarHBondContact O-N 3.5Å; Y33-H35 VanDerWaalsContact C-N 3.3Å; Y33-H35 PolarHBondContact O-N 3.13Å; Y33-Y36 PolarHBondContact O-N 2.84Å; Y33-L37 HydrophobicContact CD1-CD1 3.68Å; Y33-L37 HydrophobicContact CD2-CD1 4.37Å; Y33-L37 HydrophobicContact CE1-CD1 3.3Å; Y33-L37 HydrophobicContact CE1-CG 4.43Å; Y33-L37 HydrophobicContact CE2-CD1 4.06Å; Y33-L37 HydrophobicContact CE2-CG 4.44Å; Y33-L37 HydrophobicContact CG-CD1 4.2Å; Y33-L37 VanDerWaalsContact CZ-CD1 3.5Å; Y33-L37 WeakPolarHBondContact O-CB 3.48Å; Y33-L37 VanDerWaalsContact O-CG 3.31Å; Y33-L37 WeakPolarHBondContact O-CG 3.43Å; Y33-L37 PolarHBondContact O-N 3.4Å; Y33-A264 HydrophobicContact CD2-CB 4.25Å; Y33-A264 VanDerWaalsContact CD2-O 3.23Å; Y33-A264 WeakPolarHBondContact CD2-O 3.41Å; Y33-A264 HydrophobicContact CE2-CB 4.29Å; Y33-A268 HydrophobicContact CE2-CB 4.03Å; Y33-M276 VanDerWaalsContact OH-CE 3.28Å; Y33-M276 WeakPolarHBondContact OH-CE 3.46Å; Y33-L277 HydrophobicContact CE2-CD1 3.64Å; Y33-V307 HydrophobicContact CD1-CB 3.99Å; Y33-V307 HydrophobicContact CD1-CG1 3.87Å; Y33-V307 HydrophobicContact CE1-CB 4.4Å; Y33-V307 HydrophobicContact CE1-CG1 4.25Å |
| 34 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -35.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L26 E30 K31 S38 V307 V331 L378 | L26-A34 HydrophobicContact CD1-CB 4.32Å; E30-A34 VanDerWaalsContact O-CB 3.27Å; E30-A34 WeakPolarHBondContact O-CB 3.21Å; E30-A34 PolarHBondContact O-N 3.28Å; K31-A34 PolarHBondContact O-N 3.17Å; A34-S38 WeakPolarHBondContact O-CB 3.49Å; A34-S38 PolarHBondContact O-N 3.4Å; A34-S38 PolarHBondContact O-OG 3.18Å; A34-V307 HydrophobicContact CB-CG1 3.97Å; A34-V307 HydrophobicContact CB-CG2 4.37Å; A34-V331 HydrophobicContact CB-CG1 3.95Å; A34-L378 HydrophobicContact CB-CD2 3.94Å |
| 35 | H | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62 | -56.4 | 176.4 | 175.2 | 73 | 0 | 0 | 0 | 111.5 | K31 M32 Y33 L37 S38 R39 T676 I678 V698 | K31-H35 VanDerWaalsContact O-CB 3.28Å; K31-H35 WeakPolarHBondContact O-CB 3.42Å; K31-H35 PolarHBondContact O-N 3.45Å; M32-H35 WeakPolarHBondContact O-CB 3.29Å; M32-H35 PolarHBondContact O-N 3.11Å; Y33-H35 VanDerWaalsContact C-N 3.3Å; Y33-H35 PolarHBondContact O-N 3.13Å; H35-L37 PolarHBondContact O-N 3.04Å; H35-S38 WeakPolarHBondContact O-CB 3.07Å; H35-S38 PolarHBondContact O-N 3.18Å; H35-S38 VanDerWaalsContact O-N 3.12Å; H35-R39 WeakPolarHBondContact O-CG 3.38Å; H35-R39 PolarHBondContact O-N 2.67Å; H35-T676 PolarHBondContact CE1-O 2.91Å; H35-T676 PolarHBondContact ND1-OG1 2.84Å; H35-I678 WeakPolarHBondContact NE2-CD1 3.45Å; H35-V698 HydrophobicContact CB-CG1 4.05Å; H35-V698 HydrophobicContact CB-CG2 4.31Å |
| 36 | Y | 98.6 | Very high | 98 | Very high | 27 Ų | 27 | 20.3 Ų | 20.3 | 11% | 0.106 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.4 | -36.4 | -176.8 | -71.2 | -58.4 | 0 | 0 | 0 | 112.5 | M32 Y33 S38 R39 A40 Y260 E263 Y267 I678 | M32-Y36 HydrophobicContact CE-CE2 3.6Å; M32-Y36 VanDerWaalsContact O-CD2 3.25Å; M32-Y36 WeakPolarHBondContact O-CD2 3.41Å; M32-Y36 PolarHBondContact O-N 2.77Å; M32-Y36 VanDerWaalsContact O-N 3.08Å; Y33-Y36 PolarHBondContact O-N 2.84Å; Y36-S38 VanDerWaalsContact C-N 3.34Å; Y36-S38 PolarHBondContact O-N 3.12Å; Y36-R39 WeakPolarHBondContact O-CB 3.49Å; Y36-R39 PolarHBondContact O-N 2.97Å; Y36-A40 PolarHBondContact O-N 3.32Å; Y36-Y260 AromaticContact CD1-CD1 3.83Å; Y36-Y260 HydrophobicContact CD1-CD1 3.83Å; Y36-Y260 HydrophobicContact CD1-CE1 4.33Å; Y36-Y260 HydrophobicContact CE1-CD1 4.46Å; Y36-E263 HydrophobicContact CD1-CB 3.6Å; Y36-E263 HydrophobicContact CD1-CG 4.29Å; Y36-E263 HydrophobicContact CD2-CB 3.92Å; Y36-E263 HydrophobicContact CE1-CB 3.76Å; Y36-E263 HydrophobicContact CE1-CG 4.12Å; Y36-E263 HydrophobicContact CE2-CB 4.1Å; Y36-E263 HydrophobicContact CG-CB 3.66Å; Y36-Y267 AromaticContact CD2-CD2 3.97Å; Y36-Y267 HydrophobicContact CD2-CD2 3.97Å; Y36-Y267 AromaticContact CD2-CE2 3.91Å; Y36-Y267 HydrophobicContact CD2-CE2 3.91Å; Y36-Y267 HydrophobicContact CE2-CD2 4.04Å; Y36-Y267 AromaticContact CE2-CE2 3.49Å; Y36-Y267 HydrophobicContact CE2-CE2 3.49Å; Y36-Y267 VanDerWaalsContact CE2-CE2 3.49Å; Y36-I678 HydrophobicContact CE1-CD1 4.33Å |
| 37 | L | 98.9 | Very high | 98.1 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 170.5 | -69.1 | 176.8 | 0 | 0 | 0 | 112.2 | Y33 H35 R39 A40 A41 L261 A264 L277 S309 V331 | Y33-L37 HydrophobicContact CD1-CD1 3.68Å; Y33-L37 HydrophobicContact CD2-CD1 4.37Å; Y33-L37 HydrophobicContact CE1-CD1 3.3Å; Y33-L37 HydrophobicContact CE1-CG 4.43Å; Y33-L37 HydrophobicContact CE2-CD1 4.06Å; Y33-L37 HydrophobicContact CE2-CG 4.44Å; Y33-L37 HydrophobicContact CG-CD1 4.2Å; Y33-L37 VanDerWaalsContact CZ-CD1 3.5Å; Y33-L37 WeakPolarHBondContact O-CB 3.48Å; Y33-L37 VanDerWaalsContact O-CG 3.31Å; Y33-L37 WeakPolarHBondContact O-CG 3.43Å; Y33-L37 PolarHBondContact O-N 3.4Å; H35-L37 PolarHBondContact O-N 3.04Å; L37-R39 VanDerWaalsContact C-N 3.31Å; L37-R39 PolarHBondContact O-N 3.18Å; L37-A40 PolarHBondContact O-N 3.05Å; L37-A41 WeakPolarHBondContact O-CB 3.33Å; L37-A41 PolarHBondContact O-N 2.86Å; L37-L261 HydrophobicContact CD2-CD2 4.03Å; L37-A264 HydrophobicContact CD2-CB 3.81Å; L37-A264 HydrophobicContact CG-CB 3.94Å; L37-L277 HydrophobicContact CD2-CD2 3.66Å; L37-S309 WeakPolarHBondContact CD1-OG 3.4Å; L37-V331 HydrophobicContact CB-CG2 3.49Å; L37-V331 VanDerWaalsContact CB-CG2 3.49Å |
| 38 | S | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.014 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 175.9 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | A34 H35 Y36 A41 W42 T379 | A34-S38 WeakPolarHBondContact O-CB 3.49Å; A34-S38 PolarHBondContact O-N 3.4Å; A34-S38 PolarHBondContact O-OG 3.18Å; H35-S38 WeakPolarHBondContact O-CB 3.07Å; H35-S38 PolarHBondContact O-N 3.18Å; H35-S38 VanDerWaalsContact O-N 3.12Å; Y36-S38 VanDerWaalsContact C-N 3.34Å; Y36-S38 PolarHBondContact O-N 3.12Å; S38-A41 PolarHBondContact O-N 2.98Å; S38-W42 PolarHBondContact O-N 3.25Å; S38-T379 WeakPolarHBondContact CB-OG1 3.26Å; S38-T379 PolarHBondContact OG-OG1 3.28Å |
| 39 | R | 98.6 | Very high | 98.4 | Very high | 25 Ų | 25 | 13.1 Ų | 13.1 | 9% | 0.094 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.3 | -51.4 | 173 | -66 | -67.9 | -68.9 | -130.9 | 2.4 | 110.4 | H35 Y36 L37 A41 W42 Y43 Y260 D720 | H35-R39 WeakPolarHBondContact O-CG 3.38Å; H35-R39 PolarHBondContact O-N 2.67Å; Y36-R39 WeakPolarHBondContact O-CB 3.49Å; Y36-R39 PolarHBondContact O-N 2.97Å; L37-R39 VanDerWaalsContact C-N 3.31Å; L37-R39 PolarHBondContact O-N 3.18Å; R39-A41 VanDerWaalsContact C-N 3.31Å; R39-A41 PolarHBondContact O-N 2.74Å; R39-W42 PolarHBondContact O-N 3.36Å; R39-W42 VanDerWaalsContact O-N 3.16Å; R39-Y43 PolarHBondContact NH2-OH 3.27Å; R39-Y43 VanDerWaalsContact O-CD2 3.24Å; R39-Y43 WeakPolarHBondContact O-CD2 3.5Å; R39-Y43 PolarHBondContact O-N 2.99Å; R39-Y260 HydrophobicContact CB-CD1 3.67Å; R39-Y260 HydrophobicContact CB-CD2 3.82Å; R39-Y260 HydrophobicContact CB-CE1 3.87Å; R39-Y260 HydrophobicContact CB-CE2 4.07Å; R39-Y260 HydrophobicContact CB-CG 3.62Å; R39-Y260 HydrophobicContact CG-CD1 4.27Å; R39-Y260 HydrophobicContact CG-CE1 4.12Å; R39-Y260 PolarHBondContact NH2-OH 2.82Å; R39-D720 IonicContact CZ-OD2 3.73Å; R39-D720 VanDerWaalsContact CZ-OD2 3.28Å; R39-D720 IonicContact NH1-OD2 2.88Å; R39-D720 PolarHBondContact NH1-OD2 2.94Å; R39-D720 IonicContact NH2-OD2 3.71Å; R39-D720 PolarHBondContact NH2-OD2 3.35Å |
| 40 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -54 | -47.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y36 L37 G44 V257 L261 I311 | Y36-A40 PolarHBondContact O-N 3.32Å; L37-A40 PolarHBondContact O-N 3.05Å; A40-G44 PolarHBondContact O-N 3.49Å; A40-V257 HydrophobicContact CB-CG1 4.49Å; A40-L261 HydrophobicContact CB-CD2 3.92Å; A40-L261 HydrophobicContact CB-CG 4.08Å; A40-I311 HydrophobicContact CB-CD1 4Å |
| 41 | A | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 7 Ų | 7 | 2% | 0.017 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L37 S38 R39 G44 G45 G329 T379 A381 | L37-A41 WeakPolarHBondContact O-CB 3.33Å; L37-A41 PolarHBondContact O-N 2.86Å; S38-A41 PolarHBondContact O-N 2.98Å; R39-A41 VanDerWaalsContact C-N 3.31Å; R39-A41 PolarHBondContact O-N 2.74Å; A41-G44 PolarHBondContact O-N 2.63Å; A41-G45 PolarHBondContact O-N 3.13Å; A41-G329 WeakPolarHBondContact CB-O 3.17Å; A41-T379 HydrophobicContact CB-CG2 3.91Å; A41-A381 HydrophobicContact CB-CB 3.97Å; A41-A381 WeakPolarHBondContact O-CB 3.33Å |
| 42 | W | 98.8 | Very high | 98.7 | Very high | 12 Ų | 12 | 5.3 Ų | 5.3 | 5% | 0.045 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | -177.9 | -75.1 | 122.6 | 0 | 0 | 0 | 114.1 | S38 R39 G45 M103 T379 A381 Q673 F714 R717 F718 | S38-W42 PolarHBondContact O-N 3.25Å; R39-W42 PolarHBondContact O-N 3.36Å; R39-W42 VanDerWaalsContact O-N 3.16Å; W42-G45 PolarHBondContact O-N 3.36Å; W42-M103 HydrophobicContact CE3-CE 4.08Å; W42-M103 HydrophobicContact CZ3-CE 3.81Å; W42-T379 HydrophobicContact CD2-CG2 4.23Å; W42-T379 HydrophobicContact CG-CG2 4.38Å; W42-T379 HydrophobicContact CZ2-CG2 3.92Å; W42-T379 PolarHBondContact NE1-OG1 2.78Å; W42-A381 HydrophobicContact CD2-CB 3.87Å; W42-A381 HydrophobicContact CE3-CB 3.53Å; W42-A381 HydrophobicContact CG-CB 4.46Å; W42-A381 HydrophobicContact CH2-CB 4.49Å; W42-A381 HydrophobicContact CZ3-CB 3.89Å; W42-Q673 HydrophobicContact CZ2-CB 4.18Å; W42-F714 HydrophobicContact CH2-CZ 4.49Å; W42-F714 HydrophobicContact CZ3-CE1 4.36Å; W42-F714 HydrophobicContact CZ3-CZ 4.09Å; W42-R717 VanDerWaalsContact CD2-CD 3.44Å; W42-R717 HydrophobicContact CD2-CG 4.44Å; W42-R717 HydrophobicContact CG-CG 4.18Å; W42-F718 HydrophobicContact CB-CE1 3.8Å; W42-F718 HydrophobicContact CB-CZ 3.91Å |
| 43 | Y | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -67.6 | -40.3 | 174.4 | -79.5 | -84 | 0 | 0 | 0 | 111.7 | R39 G45 L46 K256 Y260 F718 D721 L725 | R39-Y43 PolarHBondContact NH2-OH 3.27Å; R39-Y43 VanDerWaalsContact O-CD2 3.24Å; R39-Y43 WeakPolarHBondContact O-CD2 3.5Å; R39-Y43 PolarHBondContact O-N 2.99Å; Y43-G45 VanDerWaalsContact C-N 3.35Å; Y43-L46 HydrophobicContact CD1-CD1 4.47Å; Y43-L46 WeakPolarHBondContact O-CB 3.37Å; Y43-L46 PolarHBondContact O-N 3.37Å; Y43-K256 HydrophobicContact CD1-CB 3.94Å; Y43-K256 HydrophobicContact CD1-CD 4.48Å; Y43-K256 HydrophobicContact CD1-CG 4.11Å; Y43-K256 HydrophobicContact CE1-CD 4.31Å; Y43-K256 HydrophobicContact CE1-CG 4.39Å; Y43-K256 HydrophobicContact CG-CB 3.96Å; Y43-Y260 AromaticContact CD2-CD2 3.72Å; Y43-Y260 HydrophobicContact CD2-CD2 3.72Å; Y43-Y260 AromaticContact CD2-CE2 3.37Å; Y43-Y260 HydrophobicContact CD2-CE2 3.37Å; Y43-Y260 AromaticContact CE2-CD2 3.99Å; Y43-Y260 HydrophobicContact CE2-CD2 3.99Å; Y43-Y260 AromaticContact CE2-CE2 3.16Å; Y43-Y260 HydrophobicContact CE2-CE2 3.16Å; Y43-Y260 AromaticContact CE2-CZ 3.81Å; Y43-Y260 HydrophobicContact CG-CE2 4.33Å; Y43-Y260 AromaticContact CZ-CE2 3.95Å; Y43-F718 HydrophobicContact CD1-CD1 4.5Å; Y43-F718 HydrophobicContact CE1-CD1 4.11Å; Y43-F718 HydrophobicContact CE2-CD1 4.24Å; Y43-F718 HydrophobicContact CG-CE1 4.5Å; Y43-F718 AromaticContact CZ-CD1 3.97Å; Y43-D721 WeakPolarHBondContact CE1-OD2 3.49Å; Y43-D721 PolarHBondContact OH-OD1 2.84Å; Y43-D721 PolarHBondContact OH-OD2 3.44Å; Y43-L725 HydrophobicContact CD1-CD1 4.03Å; Y43-L725 HydrophobicContact CE1-CD1 4.09Å; Y43-L725 HydrophobicContact CE1-CD2 4.17Å |
| 44 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A40 A41 L46 V47 F327 | A40-G44 PolarHBondContact O-N 3.49Å; A41-G44 PolarHBondContact O-N 2.63Å; G44-L46 PolarHBondContact O-N 3.37Å; G44-L46 VanDerWaalsContact O-N 3.08Å; G44-V47 WeakPolarHBondContact O-CB 3.29Å; G44-V47 VanDerWaalsContact O-CG2 3.22Å; G44-V47 WeakPolarHBondContact O-CG2 3.06Å; G44-V47 PolarHBondContact O-N 2.71Å; G44-F327 VanDerWaalsContact CA-CZ 3.41Å; G44-F327 VanDerWaalsContact O-CD1 3.24Å; G44-F327 WeakPolarHBondContact O-CD1 3.09Å; G44-F327 WeakPolarHBondContact O-CG 3.47Å |
| 45 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -60.3 | -19.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A41 W42 Y43 V47 V48 | A41-G45 PolarHBondContact O-N 3.13Å; W42-G45 PolarHBondContact O-N 3.36Å; Y43-G45 VanDerWaalsContact C-N 3.35Å; G45-V47 PolarHBondContact O-N 3.3Å; G45-V48 VanDerWaalsContact O-CB 3.28Å; G45-V48 WeakPolarHBondContact O-CB 3.36Å; G45-V48 WeakPolarHBondContact O-CG2 3.4Å; G45-V48 PolarHBondContact O-N 3.29Å |
| 46 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.5 | 173.4 | -62.3 | 168.2 | 0 | 0 | 0 | 112.9 | Y43 G44 V48 L49 F60 L253 F718 L725 L729 | Y43-L46 HydrophobicContact CD1-CD1 4.47Å; Y43-L46 WeakPolarHBondContact O-CB 3.37Å; Y43-L46 PolarHBondContact O-N 3.37Å; G44-L46 PolarHBondContact O-N 3.37Å; G44-L46 VanDerWaalsContact O-N 3.08Å; L46-V48 PolarHBondContact O-N 2.89Å; L46-L49 HydrophobicContact CB-CD1 4.42Å; L46-L49 HydrophobicContact CD2-CD1 3.9Å; L46-L49 WeakPolarHBondContact O-CB 3.35Å; L46-L49 PolarHBondContact O-N 2.97Å; L46-F60 HydrophobicContact CD2-CE1 3.91Å; L46-F60 HydrophobicContact CD2-CE2 4.13Å; L46-F60 HydrophobicContact CD2-CZ 3.61Å; L46-L253 HydrophobicContact CB-CD1 4.21Å; L46-L253 HydrophobicContact CD1-CD2 4.48Å; L46-F718 HydrophobicContact CD1-CE1 4.02Å; L46-F718 HydrophobicContact CD1-CE2 4.43Å; L46-F718 HydrophobicContact CD1-CZ 3.94Å; L46-F718 HydrophobicContact CD2-CE2 4.13Å; L46-F718 HydrophobicContact CD2-CZ 4.08Å; L46-F718 HydrophobicContact CG-CZ 4.11Å; L46-L725 HydrophobicContact CD1-CD1 3.61Å; L46-L725 HydrophobicContact CD1-CD2 3.54Å; L46-L725 HydrophobicContact CD1-CG 3.93Å; L46-L729 HydrophobicContact CB-CD2 4.32Å |
| 47 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -57.8 | -33 | 170.1 | 175 | 0 | 0 | 0 | 0 | 110.7 | G44 G45 L49 L50 Q51 Y250 L253 M254 F313 F327 | G44-V47 WeakPolarHBondContact O-CB 3.29Å; G44-V47 VanDerWaalsContact O-CG2 3.22Å; G44-V47 WeakPolarHBondContact O-CG2 3.06Å; G44-V47 PolarHBondContact O-N 2.71Å; G45-V47 PolarHBondContact O-N 3.3Å; V47-L49 PolarHBondContact O-N 3.38Å; V47-L50 CarbonylContact O-C 3.25Å; V47-L50 WeakPolarHBondContact O-CA 3.46Å; V47-L50 WeakPolarHBondContact O-CB 3.25Å; V47-L50 PolarHBondContact O-N 2.88Å; V47-Q51 HydrophobicContact CG1-CG 4.04Å; V47-Q51 PolarHBondContact O-N 3.44Å; V47-Y250 HydrophobicContact CG1-CD1 4.02Å; V47-Y250 HydrophobicContact CG1-CD2 3.52Å; V47-Y250 HydrophobicContact CG1-CE1 3.99Å; V47-Y250 HydrophobicContact CG1-CE2 3.49Å; V47-Y250 VanDerWaalsContact CG1-CE2 3.49Å; V47-Y250 HydrophobicContact CG1-CG 3.77Å; V47-Y250 HydrophobicContact CG2-CD2 4.26Å; V47-Y250 HydrophobicContact CG2-CG 4.06Å; V47-L253 HydrophobicContact CG2-CB 4.29Å; V47-L253 HydrophobicContact CG2-CD1 3.89Å; V47-M254 HydrophobicContact CG2-CE 3.53Å; V47-F313 HydrophobicContact CG1-CE1 4.08Å; V47-F313 HydrophobicContact CG1-CZ 4.46Å; V47-F327 HydrophobicContact CB-CB 4.12Å; V47-F327 HydrophobicContact CB-CG 4.46Å; V47-F327 HydrophobicContact CG1-CB 4.25Å |
| 48 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -62.1 | -28.2 | -178.6 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | G45 L46 L50 Q51 T52 M103 E326 F327 | G45-V48 VanDerWaalsContact O-CB 3.28Å; G45-V48 WeakPolarHBondContact O-CB 3.36Å; G45-V48 WeakPolarHBondContact O-CG2 3.4Å; G45-V48 PolarHBondContact O-N 3.29Å; L46-V48 PolarHBondContact O-N 2.89Å; V48-L50 PolarHBondContact O-N 3.42Å; V48-Q51 CarbonylContact O-C 3.59Å; V48-Q51 PolarHBondContact O-N 2.99Å; V48-Q51 VanDerWaalsContact O-N 3.14Å; V48-T52 WeakPolarHBondContact O-CB 3.44Å; V48-T52 PolarHBondContact O-N 3.49Å; V48-T52 PolarHBondContact O-OG1 3.38Å; V48-M103 HydrophobicContact CB-CB 3.73Å; V48-M103 HydrophobicContact CB-CG 4.37Å; V48-M103 HydrophobicContact CG1-CB 3.62Å; V48-E326 HydrophobicContact CG1-CG 4.15Å; V48-E326 VanDerWaalsContact CG1-OE1 3.3Å; V48-E326 WeakPolarHBondContact CG1-OE1 3.23Å; V48-E326 HydrophobicContact CG2-CG 3.84Å; V48-F327 HydrophobicContact CG2-CB 4.22Å; V48-F327 WeakPolarHBondContact CG2-O 3.39Å |
| 49 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 171.1 | -66.4 | 162.8 | 0 | 0 | 0 | 110.9 | L46 V47 S56 A57 F60 M103 L729 | L46-L49 HydrophobicContact CB-CD1 4.42Å; L46-L49 HydrophobicContact CD2-CD1 3.9Å; L46-L49 WeakPolarHBondContact O-CB 3.35Å; L46-L49 PolarHBondContact O-N 2.97Å; V47-L49 PolarHBondContact O-N 3.38Å; L49-S56 VanDerWaalsContact O-CB 3.25Å; L49-S56 WeakPolarHBondContact O-CB 3.4Å; L49-A57 HydrophobicContact CB-CB 4.38Å; L49-F60 HydrophobicContact CD1-CB 3.82Å; L49-F60 HydrophobicContact CD1-CD1 3.86Å; L49-F60 HydrophobicContact CD1-CD2 3.97Å; L49-F60 HydrophobicContact CD1-CE1 4.42Å; L49-F60 HydrophobicContact CD1-CG 3.61Å; L49-F60 HydrophobicContact CD2-CB 3.7Å; L49-F60 HydrophobicContact CD2-CD2 4.18Å; L49-F60 HydrophobicContact CD2-CG 4.13Å; L49-F60 HydrophobicContact CG-CB 4.44Å; L49-M103 WeakPolarHBondContact CA-O 3.05Å; L49-M103 WeakPolarHBondContact CD2-O 3.4Å; L49-M103 PolarHBondContact N-O 3.43Å; L49-L729 HydrophobicContact CD1-CD1 4.21Å; L49-L729 HydrophobicContact CD1-CD2 4.4Å |
| 50 | L | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 4.2 Ų | 4.2 | 5% | 0.052 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -79.5 | -20.8 | 179.2 | -57.8 | 169.5 | 0 | 0 | 0 | 112.3 | V47 V48 A57 T170 Y250 L732 N733 | V47-L50 CarbonylContact O-C 3.25Å; V47-L50 WeakPolarHBondContact O-CA 3.46Å; V47-L50 WeakPolarHBondContact O-CB 3.25Å; V47-L50 PolarHBondContact O-N 2.88Å; V48-L50 PolarHBondContact O-N 3.42Å; L50-A57 HydrophobicContact CD2-CB 3.93Å; L50-T170 VanDerWaalsContact O-CB 3.25Å; L50-T170 WeakPolarHBondContact O-CB 3.44Å; L50-T170 PolarHBondContact O-OG1 3.31Å; L50-Y250 HydrophobicContact CB-CD1 4.34Å; L50-Y250 HydrophobicContact CB-CE1 3.86Å; L50-Y250 HydrophobicContact CD1-CD1 3.62Å; L50-Y250 HydrophobicContact CD1-CE1 4Å; L50-L732 HydrophobicContact CD1-CB 3.94Å; L50-L732 HydrophobicContact CD1-CD1 3.82Å; L50-L732 HydrophobicContact CD1-CG 4.49Å; L50-L732 HydrophobicContact CD2-CB 4.42Å; L50-N733 HydrophobicContact CD2-CB 4.11Å |
| 51 | Q | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 4.2 Ų | 4.2 | 3% | 0.028 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -86.8 | -11.1 | 173.4 | -61.8 | -176.7 | -70.6 | 0 | 0 | 113.7 | V47 V48 T170 Y171 G325 | V47-Q51 HydrophobicContact CG1-CG 4.04Å; V47-Q51 PolarHBondContact O-N 3.44Å; V48-Q51 CarbonylContact O-C 3.59Å; V48-Q51 PolarHBondContact O-N 2.99Å; V48-Q51 VanDerWaalsContact O-N 3.14Å; Q51-T170 VanDerWaalsContact CA-OG1 3.23Å; Q51-T170 WeakPolarHBondContact CA-OG1 3.28Å; Q51-T170 PolarHBondContact O-OG1 2.96Å; Q51-Y171 HydrophobicContact CB-CE2 4.46Å; Q51-G325 PolarHBondContact NE2-O 3.06Å |
| 52 | T | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -94.4 | -61.9 | -175.9 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | V48 Y106 T170 R318 | V48-T52 WeakPolarHBondContact O-CB 3.44Å; V48-T52 PolarHBondContact O-N 3.49Å; V48-T52 PolarHBondContact O-OG1 3.38Å; T52-Y106 HydrophobicContact CG2-CD2 4.03Å; T52-Y106 HydrophobicContact CG2-CG 4.4Å; T52-T170 PolarHBondContact N-OG1 2.95Å; T52-R318 PolarHBondContact OG1-NH1 3.43Å; T52-R318 VanDerWaalsContact OG1-NH1 3.1Å |
| 53 | S | 98.3 | Very high | 98.5 | Very high | 1 Ų | 1 | 4 Ų | 4 | 1% | 0.007 | 2% | 0.022 | C | C | . | . | trans | -155.9 | 155.4 | -177.1 | 71.1 | 0 | 0 | 0 | 0 | 112.3 | E55 S56 N105 | S53-E55 WeakPolarHBondContact CB-OE2 3.31Å; S53-E55 PolarHBondContact O-N 3.17Å; S53-E55 VanDerWaalsContact O-N 3.13Å; S53-E55 PolarHBondContact OG-OE2 2.96Å; S53-S56 PolarHBondContact O-N 2.83Å; S53-S56 WeakPolarHBondContact OG-CB 3.42Å; S53-S56 PolarHBondContact OG-N 3.42Å; S53-S56 PolarHBondContact OG-OG 3.14Å; S53-N105 PolarHBondContact OG-OD1 3.36Å | ||
| 54 | P | 97.1 | Very high | 98.5 | Very high | 28 Ų | 28 | 4.1 Ų | 4.1 | 18% | 0.182 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.8 | 179.3 | -25.7 | 35.6 | 0 | 0 | 0 | 114.2 | T170 N733 W740 | P54-T170 HydrophobicContact CG-CG2 4.03Å; P54-N733 PolarHBondContact O-ND2 3.25Å; P54-N733 PolarHBondContact O-OD1 3.11Å; P54-N733 VanDerWaalsContact O-OD1 3.07Å; P54-W740 HydrophobicContact CB-CB 4.42Å; P54-W740 HydrophobicContact CB-CE3 4.48Å; P54-W740 HydrophobicContact CG-CB 3.72Å; P54-W740 HydrophobicContact CG-CD2 3.94Å; P54-W740 HydrophobicContact CG-CE3 4.26Å; P54-W740 HydrophobicContact CG-CG 3.67Å |
| 55 | E | 97.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 6.1 Ų | 6.1 | 2% | 0.019 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -15.3 | -179 | 68.1 | -87.5 | -153.3 | 0 | 0 | 114.6 | S53 A57 N58 I59 N105 K113 L150 | S53-E55 WeakPolarHBondContact CB-OE2 3.31Å; S53-E55 PolarHBondContact O-N 3.17Å; S53-E55 VanDerWaalsContact O-N 3.13Å; S53-E55 PolarHBondContact OG-OE2 2.96Å; E55-A57 PolarHBondContact O-N 3.29Å; E55-N58 PolarHBondContact O-N 3.08Å; E55-N58 VanDerWaalsContact O-N 3.15Å; E55-I59 HydrophobicContact CB-CD1 4.04Å; E55-I59 HydrophobicContact CB-CG1 4.49Å; E55-I59 HydrophobicContact CG-CD1 3.53Å; E55-I59 HydrophobicContact CG-CG1 4.48Å; E55-I59 VanDerWaalsContact O-CG1 3.28Å; E55-I59 WeakPolarHBondContact O-CG1 3.34Å; E55-I59 PolarHBondContact O-N 3.08Å; E55-N105 PolarHBondContact OE1-ND2 3.32Å; E55-K113 IonicContact OE1-NZ 3.44Å; E55-L150 HydrophobicContact CB-CB 3.94Å; E55-L150 HydrophobicContact CB-CD1 3.94Å; E55-L150 HydrophobicContact CG-CB 3.88Å |
| 56 | S | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | -169.7 | -79.8 | 0 | 0 | 0 | 0 | 113.4 | L49 S53 N58 I59 F60 G104 N105 | L49-S56 VanDerWaalsContact O-CB 3.25Å; L49-S56 WeakPolarHBondContact O-CB 3.4Å; S53-S56 PolarHBondContact O-N 2.83Å; S53-S56 WeakPolarHBondContact OG-CB 3.42Å; S53-S56 PolarHBondContact OG-N 3.42Å; S53-S56 PolarHBondContact OG-OG 3.14Å; S56-N58 PolarHBondContact O-N 3.36Å; S56-I59 PolarHBondContact O-N 3.42Å; S56-F60 WeakPolarHBondContact O-CB 3.33Å; S56-F60 PolarHBondContact O-N 2.83Å; S56-G104 VanDerWaalsContact OG-CA 3.22Å; S56-G104 WeakPolarHBondContact OG-CA 3.48Å; S56-N105 PolarHBondContact OG-N 2.83Å; S56-N105 PolarHBondContact OG-OD1 3.23Å |
| 57 | A | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L49 L50 E55 I59 F60 V61 N733 | L49-A57 HydrophobicContact CB-CB 4.38Å; L50-A57 HydrophobicContact CD2-CB 3.93Å; E55-A57 PolarHBondContact O-N 3.29Å; A57-I59 PolarHBondContact O-N 3.21Å; A57-F60 PolarHBondContact O-N 3.48Å; A57-V61 WeakPolarHBondContact O-CG2 3.48Å; A57-V61 PolarHBondContact O-N 3.41Å; A57-N733 HydrophobicContact CB-CB 4.09Å |
| 58 | N | 98.3 | Very high | 98.2 | Very high | 20 Ų | 20 | 10.2 Ų | 10.2 | 11% | 0.107 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 178.9 | -67.4 | 0.8 | 0 | 0 | 0 | 111.4 | E55 S56 V61 L62 L143 S146 L730 N733 | E55-N58 PolarHBondContact O-N 3.08Å; E55-N58 VanDerWaalsContact O-N 3.15Å; S56-N58 PolarHBondContact O-N 3.36Å; N58-V61 PolarHBondContact O-N 2.9Å; N58-L62 WeakPolarHBondContact O-CB 3.32Å; N58-L62 PolarHBondContact O-N 3.48Å; N58-L143 HydrophobicContact CB-CD1 3.82Å; N58-S146 PolarHBondContact ND2-OG 3.23Å; N58-S146 VanDerWaalsContact ND2-OG 3.08Å; N58-L730 WeakPolarHBondContact OD1-CD2 3.33Å; N58-N733 VanDerWaalsContact CG-ND2 3.32Å; N58-N733 PolarHBondContact ND2-ND2 3.3Å; N58-N733 PolarHBondContact OD1-ND2 2.88Å |
| 59 | I | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 176.3 | -64 | 164.2 | 0 | 0 | 0 | 110.1 | E55 S56 A57 V61 L62 L63 Y95 V99 N105 I151 | E55-I59 HydrophobicContact CB-CD1 4.04Å; E55-I59 HydrophobicContact CB-CG1 4.49Å; E55-I59 HydrophobicContact CG-CD1 3.53Å; E55-I59 HydrophobicContact CG-CG1 4.48Å; E55-I59 VanDerWaalsContact O-CG1 3.28Å; E55-I59 WeakPolarHBondContact O-CG1 3.34Å; E55-I59 PolarHBondContact O-N 3.08Å; S56-I59 PolarHBondContact O-N 3.42Å; A57-I59 PolarHBondContact O-N 3.21Å; I59-V61 VanDerWaalsContact C-N 3.35Å; I59-V61 PolarHBondContact O-N 2.93Å; I59-L62 WeakPolarHBondContact O-CB 3.48Å; I59-L62 PolarHBondContact O-N 3.29Å; I59-L63 HydrophobicContact CG2-CD1 3.99Å; I59-L63 HydrophobicContact CG2-CG 4.38Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.29Å; I59-L63 PolarHBondContact O-N 2.99Å; I59-Y95 HydrophobicContact CG2-CE1 4.23Å; I59-V99 HydrophobicContact CG2-CG1 4.09Å; I59-V99 HydrophobicContact CG2-CG2 4.05Å; I59-N105 HydrophobicContact CD1-CB 4.13Å; I59-I151 HydrophobicContact CD1-CD1 4.48Å; I59-I151 HydrophobicContact CD1-CG1 3.68Å; I59-I151 HydrophobicContact CG1-CD1 3.95Å; I59-I151 HydrophobicContact CG1-CG1 3.69Å |
| 60 | F | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 1% | 0.013 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -57.4 | -48 | 178.4 | 176.7 | -89.9 | 0 | 0 | 0 | 111.7 | L46 L49 S56 A57 L62 L63 Q64 Y100 F714 F718 L729 | L46-F60 HydrophobicContact CD2-CE1 3.91Å; L46-F60 HydrophobicContact CD2-CE2 4.13Å; L46-F60 HydrophobicContact CD2-CZ 3.61Å; L49-F60 HydrophobicContact CD1-CB 3.82Å; L49-F60 HydrophobicContact CD1-CD1 3.86Å; L49-F60 HydrophobicContact CD1-CD2 3.97Å; L49-F60 HydrophobicContact CD1-CE1 4.42Å; L49-F60 HydrophobicContact CD1-CG 3.61Å; L49-F60 HydrophobicContact CD2-CB 3.7Å; L49-F60 HydrophobicContact CD2-CD2 4.18Å; L49-F60 HydrophobicContact CD2-CG 4.13Å; L49-F60 HydrophobicContact CG-CB 4.44Å; S56-F60 WeakPolarHBondContact O-CB 3.33Å; S56-F60 PolarHBondContact O-N 2.83Å; A57-F60 PolarHBondContact O-N 3.48Å; F60-L62 VanDerWaalsContact C-N 3.33Å; F60-L62 PolarHBondContact O-N 3.15Å; F60-L63 PolarHBondContact O-N 3.1Å; F60-Q64 HydrophobicContact CD1-CG 3.88Å; F60-Q64 HydrophobicContact CE1-CG 3.48Å; F60-Q64 VanDerWaalsContact CE1-CG 3.48Å; F60-Q64 HydrophobicContact CE2-CG 4.24Å; F60-Q64 HydrophobicContact CG-CG 4.41Å; F60-Q64 HydrophobicContact CZ-CG 3.67Å; F60-Q64 WeakPolarHBondContact O-CB 3.37Å; F60-Q64 VanDerWaalsContact O-CG 3.31Å; F60-Q64 WeakPolarHBondContact O-CG 3.12Å; F60-Q64 PolarHBondContact O-N 3.44Å; F60-Y100 AromaticContact CD2-CD1 3.65Å; F60-Y100 HydrophobicContact CD2-CD1 3.65Å; F60-Y100 AromaticContact CD2-CE1 3.53Å; F60-Y100 HydrophobicContact CD2-CE1 3.53Å; F60-Y100 AromaticContact CE2-CD1 3.59Å; F60-Y100 HydrophobicContact CE2-CD1 3.59Å; F60-Y100 AromaticContact CE2-CE1 3.51Å; F60-Y100 HydrophobicContact CE2-CE1 3.51Å; F60-Y100 HydrophobicContact CG-CE1 4.45Å; F60-Y100 HydrophobicContact CZ-CE1 4.42Å; F60-F714 HydrophobicContact CE2-CD1 4.27Å; F60-F718 HydrophobicContact CZ-CE2 4.31Å; F60-L729 HydrophobicContact CD1-CD1 3.82Å; F60-L729 HydrophobicContact CE1-CD1 3.95Å |
| 61 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 178.4 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | A57 N58 I59 L63 Q64 R65 L143 E726 L729 L730 | A57-V61 WeakPolarHBondContact O-CG2 3.48Å; A57-V61 PolarHBondContact O-N 3.41Å; N58-V61 PolarHBondContact O-N 2.9Å; I59-V61 VanDerWaalsContact C-N 3.35Å; I59-V61 PolarHBondContact O-N 2.93Å; V61-L63 PolarHBondContact O-N 2.73Å; V61-Q64 PolarHBondContact O-N 3.33Å; V61-R65 HydrophobicContact CG1-CG 4.35Å; V61-R65 WeakPolarHBondContact O-CB 3.27Å; V61-R65 WeakPolarHBondContact O-CG 3.29Å; V61-R65 PolarHBondContact O-N 3.33Å; V61-L143 HydrophobicContact CB-CD2 4.37Å; V61-L143 HydrophobicContact CG1-CD2 3.91Å; V61-E726 HydrophobicContact CB-CG 4.44Å; V61-E726 HydrophobicContact CG1-CB 3.84Å; V61-E726 HydrophobicContact CG1-CG 3.82Å; V61-E726 HydrophobicContact CG2-CB 4.17Å; V61-E726 HydrophobicContact CG2-CG 4.14Å; V61-L729 HydrophobicContact CG2-CB 4.05Å; V61-L729 HydrophobicContact CG2-CD1 4.18Å; V61-L730 HydrophobicContact CB-CD2 4.15Å; V61-L730 HydrophobicContact CB-CG 4.46Å; V61-L730 HydrophobicContact CG1-CD1 4.02Å; V61-L730 HydrophobicContact CG1-CD2 4.19Å; V61-L730 HydrophobicContact CG1-CG 4.15Å; V61-L730 HydrophobicContact CG2-CD2 4.17Å; V61-L730 HydrophobicContact CG2-CG 4.21Å |
| 62 | L | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 3% | 0.026 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.1 | -48.8 | 176.8 | 178.3 | 68.5 | 0 | 0 | 0 | 111 | N58 I59 F60 R65 I66 V127 M140 L143 W144 | N58-L62 WeakPolarHBondContact O-CB 3.32Å; N58-L62 PolarHBondContact O-N 3.48Å; I59-L62 WeakPolarHBondContact O-CB 3.48Å; I59-L62 PolarHBondContact O-N 3.29Å; F60-L62 VanDerWaalsContact C-N 3.33Å; F60-L62 PolarHBondContact O-N 3.15Å; L62-R65 PolarHBondContact O-N 3.08Å; L62-I66 HydrophobicContact CD1-CD1 4.19Å; L62-I66 HydrophobicContact CG-CD1 4.1Å; L62-I66 VanDerWaalsContact O-CG1 3.31Å; L62-I66 WeakPolarHBondContact O-CG1 3.24Å; L62-I66 PolarHBondContact O-N 3.43Å; L62-I66 VanDerWaalsContact O-N 3.13Å; L62-V127 HydrophobicContact CD1-CG1 4.2Å; L62-M140 HydrophobicContact CD1-CE 3.52Å; L62-M140 HydrophobicContact CD1-SD 4.36Å; L62-L143 VanDerWaalsContact CA-CD2 3.46Å; L62-L143 HydrophobicContact CB-CD2 3.73Å; L62-L143 HydrophobicContact CB-CG 4.02Å; L62-L143 HydrophobicContact CD1-CD2 4.03Å; L62-L143 HydrophobicContact CD1-CG 4.27Å; L62-W144 HydrophobicContact CD2-CE3 3.84Å; L62-W144 HydrophobicContact CD2-CZ3 4.28Å |
| 63 | L | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.3 | -43.9 | 179.3 | -63.1 | 174.2 | 0 | 0 | 0 | 111.3 | I59 F60 V61 R65 I66 F67 F92 A96 V99 Y100 | I59-L63 HydrophobicContact CG2-CD1 3.99Å; I59-L63 HydrophobicContact CG2-CG 4.38Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.29Å; I59-L63 PolarHBondContact O-N 2.99Å; F60-L63 PolarHBondContact O-N 3.1Å; V61-L63 PolarHBondContact O-N 2.73Å; L63-R65 PolarHBondContact O-N 2.9Å; L63-I66 PolarHBondContact O-N 2.89Å; L63-F67 HydrophobicContact CB-CD2 4.28Å; L63-F67 HydrophobicContact CB-CE2 4.38Å; L63-F67 HydrophobicContact CD2-CE2 4.16Å; L63-F67 WeakPolarHBondContact O-CD2 3.49Å; L63-F67 PolarHBondContact O-N 3.13Å; L63-F92 HydrophobicContact CD2-CE2 3.72Å; L63-F92 HydrophobicContact CD2-CZ 3.91Å; L63-A96 HydrophobicContact CD1-CB 3.91Å; L63-A96 HydrophobicContact CD2-CB 3.89Å; L63-A96 HydrophobicContact CG-CB 4.45Å; L63-V99 HydrophobicContact CD1-CB 4.04Å; L63-V99 HydrophobicContact CD1-CG1 4.13Å; L63-V99 HydrophobicContact CD1-CG2 4.34Å; L63-Y100 HydrophobicContact CB-CE1 4.43Å; L63-Y100 VanDerWaalsContact CB-OH 3.31Å; L63-Y100 WeakPolarHBondContact CB-OH 3.28Å |
| 64 | Q | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.019 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 177.2 | -76.7 | -64.7 | -27.2 | 0 | 0 | 112 | F60 V61 F67 R68 Y100 | F60-Q64 HydrophobicContact CD1-CG 3.88Å; F60-Q64 HydrophobicContact CE1-CG 3.48Å; F60-Q64 VanDerWaalsContact CE1-CG 3.48Å; F60-Q64 HydrophobicContact CE2-CG 4.24Å; F60-Q64 HydrophobicContact CG-CG 4.41Å; F60-Q64 HydrophobicContact CZ-CG 3.67Å; F60-Q64 WeakPolarHBondContact O-CB 3.37Å; F60-Q64 VanDerWaalsContact O-CG 3.31Å; F60-Q64 WeakPolarHBondContact O-CG 3.12Å; F60-Q64 PolarHBondContact O-N 3.44Å; V61-Q64 PolarHBondContact O-N 3.33Å; Q64-F67 PolarHBondContact O-N 3.31Å; Q64-R68 WeakPolarHBondContact O-CB 3.41Å; Q64-R68 PolarHBondContact O-N 2.73Å; Q64-Y100 HydrophobicContact CG-CE1 4.37Å; Q64-Y100 PolarHBondContact N-OH 3.48Å; Q64-Y100 PolarHBondContact NE2-OH 3.28Å |
| 65 | R | 97.7 | Very high | 98 | Very high | 41 Ų | 41 | 24.3 Ų | 24.3 | 16% | 0.155 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 178 | -73.3 | 178.1 | 172.6 | -153.3 | -5 | 112.3 | V61 L62 L63 K69 A132 E139 M140 E726 | V61-R65 HydrophobicContact CG1-CG 4.35Å; V61-R65 WeakPolarHBondContact O-CB 3.27Å; V61-R65 WeakPolarHBondContact O-CG 3.29Å; V61-R65 PolarHBondContact O-N 3.33Å; L62-R65 PolarHBondContact O-N 3.08Å; L63-R65 PolarHBondContact O-N 2.9Å; R65-K69 WeakPolarHBondContact O-CG 3.23Å; R65-K69 PolarHBondContact O-N 2.98Å; R65-A132 HydrophobicContact CB-CB 4.46Å; R65-A132 WeakPolarHBondContact O-CB 3.32Å; R65-E139 IonicContact CZ-OE2 2.74Å; R65-E139 IonicContact NH1-OE2 2.73Å; R65-E139 PolarHBondContact NH1-OE2 3.15Å; R65-E139 IonicContact NH2-OE2 2.63Å; R65-E139 PolarHBondContact NH2-OE2 3.2Å; R65-M140 HydrophobicContact CB-CE 4.49Å; R65-M140 HydrophobicContact CB-SD 3.97Å; R65-E726 WeakPolarHBondContact CG-OE1 3.42Å; R65-E726 VanDerWaalsContact CG-OE2 3.22Å; R65-E726 WeakPolarHBondContact CG-OE2 3.49Å; R65-E726 IonicContact CZ-OE2 3.52Å; R65-E726 IonicContact NE-OE2 2.76Å; R65-E726 PolarHBondContact NE-OE2 3.21Å; R65-E726 IonicContact NH2-OE2 2.68Å |
| 66 | I | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -55 | 177.2 | -69.1 | 168.5 | 0 | 0 | 0 | 110.2 | L62 L63 R68 K69 Q70 L75 V127 A132 M140 | L62-I66 HydrophobicContact CD1-CD1 4.19Å; L62-I66 HydrophobicContact CG-CD1 4.1Å; L62-I66 VanDerWaalsContact O-CG1 3.31Å; L62-I66 WeakPolarHBondContact O-CG1 3.24Å; L62-I66 PolarHBondContact O-N 3.43Å; L62-I66 VanDerWaalsContact O-N 3.13Å; L63-I66 PolarHBondContact O-N 2.89Å; I66-R68 VanDerWaalsContact C-N 3.35Å; I66-R68 PolarHBondContact O-N 2.98Å; I66-K69 PolarHBondContact O-N 3.31Å; I66-Q70 PolarHBondContact O-N 2.96Å; I66-L75 HydrophobicContact CG2-CD1 4.08Å; I66-L75 HydrophobicContact CG2-CD2 3.51Å; I66-L75 HydrophobicContact CG2-CG 4.44Å; I66-V127 HydrophobicContact CD1-CG2 4.05Å; I66-A132 HydrophobicContact CG1-CB 4.39Å; I66-M140 HydrophobicContact CD1-CE 4.38Å; I66-M140 HydrophobicContact CG1-CE 3.88Å |
| 67 | F | 98.1 | Very high | 97.9 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75.2 | -21.5 | -172.2 | -69.1 | -62 | 0 | 0 | 0 | 114.2 | L63 Q64 K69 Q70 P72 L75 F92 L93 A96 I711 T715 | L63-F67 HydrophobicContact CB-CD2 4.28Å; L63-F67 HydrophobicContact CB-CE2 4.38Å; L63-F67 HydrophobicContact CD2-CE2 4.16Å; L63-F67 WeakPolarHBondContact O-CD2 3.49Å; L63-F67 PolarHBondContact O-N 3.13Å; Q64-F67 PolarHBondContact O-N 3.31Å; F67-K69 VanDerWaalsContact C-N 3.33Å; F67-Q70 CarbonylContact C-O 3.49Å; F67-Q70 VanDerWaalsContact CA-O 3.3Å; F67-Q70 WeakPolarHBondContact CA-O 3.07Å; F67-Q70 CarbonylContact O-C 3.56Å; F67-P72 HydrophobicContact CD1-CG 4.38Å; F67-P72 HydrophobicContact CE1-CG 4.33Å; F67-L75 HydrophobicContact CD1-CD2 4.23Å; F67-L75 HydrophobicContact CE1-CD2 3.66Å; F67-L75 HydrophobicContact CZ-CD2 4.24Å; F67-F92 HydrophobicContact CE1-CE1 4.19Å; F67-F92 HydrophobicContact CE2-CE1 4.26Å; F67-F92 HydrophobicContact CE2-CZ 4.05Å; F67-F92 HydrophobicContact CZ-CD1 4.45Å; F67-F92 AromaticContact CZ-CE1 3.49Å; F67-F92 HydrophobicContact CZ-CE1 3.49Å; F67-F92 VanDerWaalsContact CZ-CE1 3.49Å; F67-F92 AromaticContact CZ-CZ 3.74Å; F67-F92 HydrophobicContact CZ-CZ 3.74Å; F67-L93 HydrophobicContact CE1-CD2 4.07Å; F67-L93 HydrophobicContact CZ-CD2 4.07Å; F67-A96 HydrophobicContact CE2-CB 3.76Å; F67-A96 HydrophobicContact CZ-CB 4.2Å; F67-I711 HydrophobicContact CB-CG2 3.98Å; F67-I711 HydrophobicContact CD1-CG2 3.68Å; F67-I711 HydrophobicContact CD2-CG2 3.57Å; F67-I711 HydrophobicContact CE1-CD1 4.32Å; F67-I711 HydrophobicContact CE1-CG2 3.98Å; F67-I711 HydrophobicContact CE2-CD1 4.17Å; F67-I711 HydrophobicContact CE2-CG1 4.41Å; F67-I711 HydrophobicContact CE2-CG2 3.89Å; F67-I711 HydrophobicContact CG-CG2 3.46Å; F67-I711 VanDerWaalsContact CG-CG2 3.46Å; F67-I711 HydrophobicContact CZ-CD1 3.84Å; F67-I711 HydrophobicContact CZ-CG2 4.08Å; F67-T715 HydrophobicContact CB-CG2 4.42Å; F67-T715 WeakPolarHBondContact CB-OG1 3.42Å |
| 68 | R | 96.1 | Very high | 97.8 | Very high | 78 Ų | 78 | 33.7 Ų | 33.7 | 29% | 0.294 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.6 | -34.4 | 170.7 | -172.6 | 179.4 | -55.3 | 128.2 | 20.5 | 112.2 | Q64 I66 T715 E726 | Q64-R68 WeakPolarHBondContact O-CB 3.41Å; Q64-R68 PolarHBondContact O-N 2.73Å; I66-R68 VanDerWaalsContact C-N 3.35Å; I66-R68 PolarHBondContact O-N 2.98Å; R68-T715 HydrophobicContact CB-CG2 4.34Å; R68-E726 IonicContact CZ-OE1 2.86Å; R68-E726 VanDerWaalsContact NH1-CD 3.35Å; R68-E726 IonicContact NH1-OE1 2.77Å; R68-E726 PolarHBondContact NH1-OE1 2.87Å; R68-E726 IonicContact NH1-OE2 3.5Å; R68-E726 IonicContact NH2-OE1 3.05Å; R68-E726 PolarHBondContact NH2-OE1 3.4Å |
| 69 | K | 96.8 | Very high | 97.7 | Very high | 76 Ų | 76 | 32.7 Ų | 32.7 | 33% | 0.33 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -83.6 | -32.6 | 178.9 | -64.1 | -67.2 | 176.3 | 168.2 | 0 | 112.1 | R65 I66 F67 Q131 A132 E135 | R65-K69 WeakPolarHBondContact O-CG 3.23Å; R65-K69 PolarHBondContact O-N 2.98Å; I66-K69 PolarHBondContact O-N 3.31Å; F67-K69 VanDerWaalsContact C-N 3.33Å; K69-Q131 HydrophobicContact CB-CB 4.24Å; K69-Q131 HydrophobicContact CB-CG 4.33Å; K69-A132 HydrophobicContact CB-CB 4.38Å; K69-A132 HydrophobicContact CG-CB 4.04Å; K69-E135 WeakPolarHBondContact CD-OE2 3.2Å; K69-E135 WeakPolarHBondContact CE-OE2 3.48Å; K69-E135 IonicContact NZ-OE2 3.22Å; K69-E135 PolarHBondContact NZ-OE2 3.19Å |
| 70 | Q | 97.8 | Very high | 97.6 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.065 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -141.2 | 122.6 | -177.8 | -62.5 | 175.8 | -87.6 | 0 | 0 | 110.8 | I66 F67 Q74 L75 Q131 | I66-Q70 PolarHBondContact O-N 2.96Å; F67-Q70 CarbonylContact C-O 3.49Å; F67-Q70 VanDerWaalsContact CA-O 3.3Å; F67-Q70 WeakPolarHBondContact CA-O 3.07Å; F67-Q70 CarbonylContact O-C 3.56Å; Q70-Q74 HydrophobicContact CB-CB 4.13Å; Q70-L75 HydrophobicContact CB-CB 4.11Å; Q70-Q131 HydrophobicContact CG-CB 3.87Å |
| 71 | T | 97.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 41.4 Ų | 41.4 | 32% | 0.319 | 21% | 0.211 | S | C | . | . | trans | -58.2 | 160.2 | 169.2 | 61.6 | 0 | 0 | 0 | 0 | 111 | D73 Q74 L75 | T71-D73 VanDerWaalsContact C-N 3.29Å; T71-D73 PolarHBondContact O-N 3.33Å; T71-Q74 PolarHBondContact O-N 3.1Å; T71-Q74 VanDerWaalsContact OG1-CD 3.27Å; T71-Q74 VanDerWaalsContact OG1-CG 3.3Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.47Å; T71-Q74 PolarHBondContact OG1-N 3.06Å; T71-Q74 PolarHBondContact OG1-OE1 3.11Å; T71-L75 PolarHBondContact O-N 3.35Å | ||
| 72 | P | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -47.2 | -48.9 | 174.7 | -31.8 | 37.2 | 0 | 0 | 0 | 113.4 | F67 Q74 L75 E76 Y89 L93 A708 I711 | F67-P72 HydrophobicContact CD1-CG 4.38Å; F67-P72 HydrophobicContact CE1-CG 4.33Å; P72-Q74 VanDerWaalsContact C-N 3.33Å; P72-Q74 PolarHBondContact O-N 3.47Å; P72-L75 PolarHBondContact O-N 2.88Å; P72-E76 PolarHBondContact O-N 3.44Å; P72-Y89 WeakPolarHBondContact CA-OH 3.47Å; P72-Y89 PolarHBondContact O-OH 2.97Å; P72-L93 HydrophobicContact CB-CD2 4Å; P72-L93 HydrophobicContact CG-CD2 4.44Å; P72-A708 HydrophobicContact CB-CB 3.77Å; P72-A708 HydrophobicContact CG-CB 3.89Å; P72-I711 HydrophobicContact CG-CB 4.42Å; P72-I711 HydrophobicContact CG-CG2 4.09Å |
| 73 | D | 96.9 | Very high | 97.1 | Very high | 90 Ų | 90 | 45.6 Ų | 45.6 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | -179.4 | -52.4 | -16.9 | 0 | 0 | 0 | 113 | T71 R712 | T71-D73 VanDerWaalsContact C-N 3.29Å; T71-D73 PolarHBondContact O-N 3.33Å; D73-R712 VanDerWaalsContact CG-NH2 3.32Å; D73-R712 IonicContact OD1-NH2 3.4Å; D73-R712 IonicContact OD2-CZ 3.13Å; D73-R712 IonicContact OD2-NH2 3.25Å; D73-R712 PolarHBondContact OD2-NH2 2.94Å |
| 74 | Q | 97.9 | Very high | 97 | Very high | 106 Ų | 106 | 45.7 Ų | 45.7 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.7 | -40.1 | 176.7 | -72.4 | 166.1 | -33.3 | 0 | 0 | 111.7 | Q70 T71 P72 E76 Q77 | Q70-Q74 HydrophobicContact CB-CB 4.13Å; T71-Q74 PolarHBondContact O-N 3.1Å; T71-Q74 VanDerWaalsContact OG1-CD 3.27Å; T71-Q74 VanDerWaalsContact OG1-CG 3.3Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.47Å; T71-Q74 PolarHBondContact OG1-N 3.06Å; T71-Q74 PolarHBondContact OG1-OE1 3.11Å; P72-Q74 VanDerWaalsContact C-N 3.33Å; P72-Q74 PolarHBondContact O-N 3.47Å; Q74-E76 VanDerWaalsContact C-N 3.33Å; Q74-Q77 PolarHBondContact O-N 3.19Å |
| 75 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.6 | -28.9 | 179.5 | -174.3 | 69.8 | 0 | 0 | 0 | 111.7 | I66 F67 Q70 T71 P72 Q77 V78 A79 Y89 F92 L126 | I66-L75 HydrophobicContact CG2-CD1 4.08Å; I66-L75 HydrophobicContact CG2-CD2 3.51Å; I66-L75 HydrophobicContact CG2-CG 4.44Å; F67-L75 HydrophobicContact CD1-CD2 4.23Å; F67-L75 HydrophobicContact CE1-CD2 3.66Å; F67-L75 HydrophobicContact CZ-CD2 4.24Å; Q70-L75 HydrophobicContact CB-CB 4.11Å; T71-L75 PolarHBondContact O-N 3.35Å; P72-L75 PolarHBondContact O-N 2.88Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 2.73Å; L75-V78 HydrophobicContact CD1-CB 4.46Å; L75-V78 WeakPolarHBondContact O-CB 3.49Å; L75-V78 PolarHBondContact O-N 3.37Å; L75-V78 VanDerWaalsContact O-N 3.14Å; L75-A79 WeakPolarHBondContact O-CB 3.11Å; L75-A79 PolarHBondContact O-N 3.39Å; L75-Y89 HydrophobicContact CB-CE2 4.47Å; L75-Y89 WeakPolarHBondContact CB-OH 3.39Å; L75-Y89 HydrophobicContact CD2-CE2 4.17Å; L75-Y89 HydrophobicContact CG-CE2 4.08Å; L75-F92 HydrophobicContact CD2-CE1 3.73Å; L75-L126 HydrophobicContact CD1-CD1 3.93Å; L75-L126 HydrophobicContact CG-CD1 4.12Å |
| 76 | E | 97.6 | Very high | 96.9 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 23% | 0.229 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.7 | -38.9 | 173.6 | -168.3 | -174.2 | 171.6 | 0 | 0 | 111.9 | P72 Q74 V78 A79 K80 Y89 | P72-E76 PolarHBondContact O-N 3.44Å; Q74-E76 VanDerWaalsContact C-N 3.33Å; E76-V78 VanDerWaalsContact C-N 3.32Å; E76-V78 PolarHBondContact O-N 2.87Å; E76-A79 WeakPolarHBondContact O-CB 3.42Å; E76-A79 PolarHBondContact O-N 3Å; E76-K80 VanDerWaalsContact CD-NZ 3.33Å; E76-K80 WeakPolarHBondContact O-CG 3.19Å; E76-K80 PolarHBondContact O-N 3.48Å; E76-K80 WeakPolarHBondContact OE1-CE 3.49Å; E76-K80 IonicContact OE1-NZ 3.68Å; E76-K80 PolarHBondContact OE1-NZ 3.42Å; E76-K80 IonicContact OE2-NZ 3.81Å; E76-Y89 HydrophobicContact CB-CD1 3.84Å; E76-Y89 HydrophobicContact CB-CE1 3.43Å; E76-Y89 VanDerWaalsContact CB-CE1 3.43Å; E76-Y89 HydrophobicContact CG-CD1 3.56Å; E76-Y89 HydrophobicContact CG-CE1 3.71Å; E76-Y89 HydrophobicContact CG-CG 4.25Å; E76-Y89 PolarHBondContact N-OH 2.95Å |
| 77 | Q | 96.4 | Very high | 96.9 | Very high | 118 Ų | 118 | 55.6 Ų | 55.6 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.7 | -39.3 | 177.3 | -58.2 | -57.6 | -38.3 | 0 | 0 | 111.5 | Q74 L75 A81 | Q74-Q77 PolarHBondContact O-N 3.19Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 2.73Å; Q77-A81 PolarHBondContact O-N 3.45Å; Q77-A81 VanDerWaalsContact O-N 3.16Å |
| 78 | V | 96.9 | Very high | 96.9 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 20% | 0.2 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 173.9 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | L75 E76 K80 A81 A82 L126 A129 | L75-V78 HydrophobicContact CD1-CB 4.46Å; L75-V78 WeakPolarHBondContact O-CB 3.49Å; L75-V78 PolarHBondContact O-N 3.37Å; L75-V78 VanDerWaalsContact O-N 3.14Å; E76-V78 VanDerWaalsContact C-N 3.32Å; E76-V78 PolarHBondContact O-N 2.87Å; V78-K80 PolarHBondContact O-N 2.95Å; V78-A81 PolarHBondContact O-N 2.93Å; V78-A82 WeakPolarHBondContact O-CB 3.43Å; V78-A82 PolarHBondContact O-N 2.87Å; V78-L126 HydrophobicContact CG1-CD1 4.49Å; V78-A129 HydrophobicContact CG1-CB 3.62Å; V78-A129 WeakPolarHBondContact CG1-O 3.28Å |
| 79 | A | 96.7 | Very high | 97 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L75 E76 A81 A82 G83 V84 Y89 L126 | L75-A79 WeakPolarHBondContact O-CB 3.11Å; L75-A79 PolarHBondContact O-N 3.39Å; E76-A79 WeakPolarHBondContact O-CB 3.42Å; E76-A79 PolarHBondContact O-N 3Å; A79-A81 PolarHBondContact O-N 3.31Å; A79-A82 CarbonylContact O-C 3.53Å; A79-A82 PolarHBondContact O-N 2.91Å; A79-A82 VanDerWaalsContact O-N 3.13Å; A79-G83 PolarHBondContact O-N 3.08Å; A79-V84 HydrophobicContact CB-CB 4.01Å; A79-V84 HydrophobicContact CB-CG1 4.4Å; A79-V84 WeakPolarHBondContact O-CB 3.41Å; A79-V84 PolarHBondContact O-N 2.91Å; A79-Y89 HydrophobicContact CB-CD2 3.44Å; A79-Y89 VanDerWaalsContact CB-CD2 3.44Å; A79-Y89 HydrophobicContact CB-CE2 3.95Å; A79-Y89 HydrophobicContact CB-CG 4.07Å; A79-L126 HydrophobicContact CB-CD1 3.7Å; A79-L126 HydrophobicContact CB-CD2 4.43Å |
| 80 | K | 95 | Very high | 97.1 | Very high | 95 Ų | 95 | 52.6 Ų | 52.6 | 41% | 0.413 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 175.2 | -73.9 | 170.9 | -177.2 | 160.3 | 0 | 111.8 | E76 V78 A82 G83 | E76-K80 VanDerWaalsContact CD-NZ 3.33Å; E76-K80 WeakPolarHBondContact O-CG 3.19Å; E76-K80 PolarHBondContact O-N 3.48Å; E76-K80 WeakPolarHBondContact OE1-CE 3.49Å; E76-K80 IonicContact OE1-NZ 3.68Å; E76-K80 PolarHBondContact OE1-NZ 3.42Å; E76-K80 IonicContact OE2-NZ 3.81Å; V78-K80 PolarHBondContact O-N 2.95Å; K80-A82 VanDerWaalsContact C-N 3.27Å; K80-A82 PolarHBondContact O-N 3.44Å; K80-G83 PolarHBondContact O-N 3.17Å |
| 81 | A | 95.1 | Very high | 97.1 | Very high | 93 Ų | 93 | 52 Ų | 52 | 77% | 0.769 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65 | -30.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q77 V78 A79 G83 | Q77-A81 PolarHBondContact O-N 3.45Å; Q77-A81 VanDerWaalsContact O-N 3.16Å; V78-A81 PolarHBondContact O-N 2.93Å; A79-A81 PolarHBondContact O-N 3.31Å; A81-G83 VanDerWaalsContact C-N 3.29Å; A81-G83 PolarHBondContact O-N 2.79Å |
| 82 | A | 94.9 | Very high | 97.1 | Very high | 35 Ų | 35 | 49.7 Ų | 49.7 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 4.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V78 A79 K80 V84 A129 | V78-A82 WeakPolarHBondContact O-CB 3.43Å; V78-A82 PolarHBondContact O-N 2.87Å; A79-A82 CarbonylContact O-C 3.53Å; A79-A82 PolarHBondContact O-N 2.91Å; A79-A82 VanDerWaalsContact O-N 3.13Å; K80-A82 VanDerWaalsContact C-N 3.27Å; K80-A82 PolarHBondContact O-N 3.44Å; A82-V84 HydrophobicContact CB-CG2 4.49Å; A82-A129 HydrophobicContact CB-CB 4.08Å |
| 83 | G | 95.3 | Very high | 97.2 | Very high | 58 Ų | 58 | 50 Ų | 50 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 16 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A79 K80 A81 | A79-G83 PolarHBondContact O-N 3.08Å; K80-G83 PolarHBondContact O-N 3.17Å; A81-G83 VanDerWaalsContact C-N 3.29Å; A81-G83 PolarHBondContact O-N 2.79Å |
| 84 | V | 97.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | trans | -85.1 | 126.9 | 174 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | A79 A82 D88 K122 L126 | A79-V84 HydrophobicContact CB-CB 4.01Å; A79-V84 HydrophobicContact CB-CG1 4.4Å; A79-V84 WeakPolarHBondContact O-CB 3.41Å; A79-V84 PolarHBondContact O-N 2.91Å; A82-V84 HydrophobicContact CB-CG2 4.49Å; V84-D88 HydrophobicContact CG1-CB 3.55Å; V84-K122 HydrophobicContact CG2-CB 4.32Å; V84-L126 HydrophobicContact CG2-CB 4.26Å | ||
| 85 | S | 97.3 | Very high | 97.3 | Very high | 48 Ų | 48 | 41 Ų | 41 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | trans | -70.8 | 161.1 | 178.9 | 71.7 | 0 | 0 | 0 | 0 | 111.2 | E87 D88 Y89 | S85-E87 PolarHBondContact O-N 3.3Å; S85-D88 PolarHBondContact O-N 3.11Å; S85-D88 WeakPolarHBondContact OG-CB 3.15Å; S85-D88 PolarHBondContact OG-N 2.83Å; S85-D88 PolarHBondContact OG-OD2 2.69Å; S85-Y89 WeakPolarHBondContact O-CB 3.14Å; S85-Y89 PolarHBondContact O-N 3.22Å | ||
| 86 | S | 97 | Very high | 97.3 | Very high | 69 Ų | 69 | 41 Ų | 41 | 48% | 0.483 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.4 | -31.6 | 173.7 | -68.9 | 0 | 0 | 0 | 0 | 112.6 | Q90 | S86-Q90 WeakPolarHBondContact O-CB 3.41Å; S86-Q90 PolarHBondContact O-N 2.85Å |
| 87 | E | 97.4 | Very high | 97.4 | Very high | 139 Ų | 139 | 38.7 Ų | 38.7 | 65% | 0.65 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -69.7 | -45.9 | 175.7 | -174.1 | 179.9 | -178.2 | 0 | 0 | 111.9 | N10 S85 Y89 Q90 A91 | N10-E87 WeakPolarHBondContact ND2-CG 3.42Å; N10-E87 PolarHBondContact ND2-O 3.48Å; S85-E87 PolarHBondContact O-N 3.3Å; E87-Y89 VanDerWaalsContact C-N 3.31Å; E87-Y89 PolarHBondContact O-N 2.86Å; E87-Q90 PolarHBondContact O-N 3.39Å; E87-A91 PolarHBondContact O-N 3.49Å |
| 88 | D | 97.9 | Very high | 97.5 | Very high | 20 Ų | 20 | 33 Ų | 33 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 175.5 | -67.8 | -52.8 | 0 | 0 | 0 | 111.2 | V84 S85 A91 F92 L118 K122 | V84-D88 HydrophobicContact CG1-CB 3.55Å; S85-D88 PolarHBondContact O-N 3.11Å; S85-D88 WeakPolarHBondContact OG-CB 3.15Å; S85-D88 PolarHBondContact OG-N 2.83Å; S85-D88 PolarHBondContact OG-OD2 2.69Å; D88-A91 WeakPolarHBondContact O-CB 3.29Å; D88-A91 PolarHBondContact O-N 3.03Å; D88-F92 PolarHBondContact O-N 3.06Å; D88-L118 HydrophobicContact CB-CB 3.94Å; D88-L118 HydrophobicContact CB-CD1 4.28Å; D88-K122 WeakPolarHBondContact OD2-CD 3.45Å; D88-K122 IonicContact OD2-NZ 3.38Å; D88-K122 PolarHBondContact OD2-NZ 3.29Å |
| 89 | Y | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 177 | -174.5 | -108.3 | 0 | 0 | 0 | 111.5 | P72 L75 E76 A79 S85 E87 A91 F92 L93 L126 | P72-Y89 WeakPolarHBondContact CA-OH 3.47Å; P72-Y89 PolarHBondContact O-OH 2.97Å; L75-Y89 HydrophobicContact CB-CE2 4.47Å; L75-Y89 WeakPolarHBondContact CB-OH 3.39Å; L75-Y89 HydrophobicContact CD2-CE2 4.17Å; L75-Y89 HydrophobicContact CG-CE2 4.08Å; E76-Y89 HydrophobicContact CB-CD1 3.84Å; E76-Y89 HydrophobicContact CB-CE1 3.43Å; E76-Y89 VanDerWaalsContact CB-CE1 3.43Å; E76-Y89 HydrophobicContact CG-CD1 3.56Å; E76-Y89 HydrophobicContact CG-CE1 3.71Å; E76-Y89 HydrophobicContact CG-CG 4.25Å; E76-Y89 PolarHBondContact N-OH 2.95Å; A79-Y89 HydrophobicContact CB-CD2 3.44Å; A79-Y89 VanDerWaalsContact CB-CD2 3.44Å; A79-Y89 HydrophobicContact CB-CE2 3.95Å; A79-Y89 HydrophobicContact CB-CG 4.07Å; S85-Y89 WeakPolarHBondContact O-CB 3.14Å; S85-Y89 PolarHBondContact O-N 3.22Å; E87-Y89 VanDerWaalsContact C-N 3.31Å; E87-Y89 PolarHBondContact O-N 2.86Å; Y89-A91 VanDerWaalsContact C-N 3.31Å; Y89-A91 PolarHBondContact O-N 3.11Å; Y89-F92 HydrophobicContact CD2-CD1 4.25Å; Y89-F92 AromaticContact CE2-CD1 3.97Å; Y89-F92 HydrophobicContact CE2-CD1 3.97Å; Y89-F92 HydrophobicContact CE2-CE1 4.46Å; Y89-F92 WeakPolarHBondContact O-CB 3.44Å; Y89-F92 PolarHBondContact O-N 3.26Å; Y89-F92 VanDerWaalsContact O-N 3.16Å; Y89-L93 HydrophobicContact CD1-CD1 4.12Å; Y89-L93 HydrophobicContact CD1-CG 4.26Å; Y89-L93 HydrophobicContact CE1-CD1 3.64Å; Y89-L93 HydrophobicContact CE1-CD2 4.08Å; Y89-L93 HydrophobicContact CE1-CG 3.82Å; Y89-L93 PolarHBondContact O-N 3.44Å; Y89-L126 HydrophobicContact CD2-CD2 4.11Å; Y89-L126 HydrophobicContact CE2-CD2 4.21Å |
| 90 | Q | 98.4 | Very high | 97.7 | Very high | 70 Ų | 70 | 31.5 Ų | 31.5 | 33% | 0.327 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.8 | -40.5 | 173 | -178.7 | 61.5 | 12.2 | 0 | 0 | 111.6 | N10 S86 E87 F92 L93 V94 | N10-Q90 HydrophobicContact CB-CG 4.01Å; N10-Q90 PolarHBondContact O-NE2 3.12Å; S86-Q90 WeakPolarHBondContact O-CB 3.41Å; S86-Q90 PolarHBondContact O-N 2.85Å; E87-Q90 PolarHBondContact O-N 3.39Å; Q90-F92 VanDerWaalsContact C-N 3.29Å; Q90-F92 PolarHBondContact O-N 3.46Å; Q90-L93 PolarHBondContact O-N 3.05Å; Q90-V94 WeakPolarHBondContact O-CB 3.33Å; Q90-V94 WeakPolarHBondContact O-CG2 3.38Å; Q90-V94 PolarHBondContact O-N 3.37Å |
| 91 | A | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -38.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N10 E87 D88 Y89 Y95 N117 L118 | N10-A91 VanDerWaalsContact OD1-CA 3.25Å; N10-A91 WeakPolarHBondContact OD1-CA 3.48Å; N10-A91 VanDerWaalsContact OD1-CB 3.31Å; N10-A91 WeakPolarHBondContact OD1-CB 3.24Å; E87-A91 PolarHBondContact O-N 3.49Å; D88-A91 WeakPolarHBondContact O-CB 3.29Å; D88-A91 PolarHBondContact O-N 3.03Å; Y89-A91 VanDerWaalsContact C-N 3.31Å; Y89-A91 PolarHBondContact O-N 3.11Å; A91-Y95 WeakPolarHBondContact O-CB 3.39Å; A91-Y95 PolarHBondContact O-N 3.42Å; A91-N117 HydrophobicContact CB-CB 3.96Å; A91-N117 VanDerWaalsContact CB-O 3.26Å; A91-N117 WeakPolarHBondContact CB-O 3.13Å; A91-L118 HydrophobicContact CB-CB 4.49Å; A91-L118 HydrophobicContact CB-CD2 4.41Å |
| 92 | F | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.6 | -45 | 173.4 | 168.5 | -112.3 | 0 | 0 | 0 | 112.3 | L63 F67 L75 D88 Y89 Q90 V94 Y95 A96 L118 L123 L126 | L63-F92 HydrophobicContact CD2-CE2 3.72Å; L63-F92 HydrophobicContact CD2-CZ 3.91Å; F67-F92 HydrophobicContact CE1-CE1 4.19Å; F67-F92 HydrophobicContact CE2-CE1 4.26Å; F67-F92 HydrophobicContact CE2-CZ 4.05Å; F67-F92 HydrophobicContact CZ-CD1 4.45Å; F67-F92 AromaticContact CZ-CE1 3.49Å; F67-F92 HydrophobicContact CZ-CE1 3.49Å; F67-F92 VanDerWaalsContact CZ-CE1 3.49Å; F67-F92 AromaticContact CZ-CZ 3.74Å; F67-F92 HydrophobicContact CZ-CZ 3.74Å; L75-F92 HydrophobicContact CD2-CE1 3.73Å; D88-F92 PolarHBondContact O-N 3.06Å; Y89-F92 HydrophobicContact CD2-CD1 4.25Å; Y89-F92 AromaticContact CE2-CD1 3.97Å; Y89-F92 HydrophobicContact CE2-CD1 3.97Å; Y89-F92 HydrophobicContact CE2-CE1 4.46Å; Y89-F92 WeakPolarHBondContact O-CB 3.44Å; Y89-F92 PolarHBondContact O-N 3.26Å; Y89-F92 VanDerWaalsContact O-N 3.16Å; Q90-F92 VanDerWaalsContact C-N 3.29Å; Q90-F92 PolarHBondContact O-N 3.46Å; F92-V94 VanDerWaalsContact C-N 3.33Å; F92-V94 PolarHBondContact O-N 2.84Å; F92-Y95 PolarHBondContact O-N 2.99Å; F92-A96 WeakPolarHBondContact O-CB 3.44Å; F92-A96 PolarHBondContact O-N 3.29Å; F92-L118 HydrophobicContact CB-CD1 4.28Å; F92-L118 HydrophobicContact CB-CD2 4.12Å; F92-L123 HydrophobicContact CD2-CD1 3.39Å; F92-L123 HydrophobicContact CE2-CD1 3.67Å; F92-L123 HydrophobicContact CG-CD1 4.11Å; F92-L126 HydrophobicContact CD1-CD2 3.7Å; F92-L126 HydrophobicContact CE1-CD2 3.96Å; F92-L126 HydrophobicContact CG-CD2 4.12Å |
| 93 | L | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 175.7 | -68.8 | -176.8 | 0 | 0 | 0 | 111.5 | F67 P72 Y89 Q90 A96 A97 A707 I711 | F67-L93 HydrophobicContact CE1-CD2 4.07Å; F67-L93 HydrophobicContact CZ-CD2 4.07Å; P72-L93 HydrophobicContact CB-CD2 4Å; P72-L93 HydrophobicContact CG-CD2 4.44Å; Y89-L93 HydrophobicContact CD1-CD1 4.12Å; Y89-L93 HydrophobicContact CD1-CG 4.26Å; Y89-L93 HydrophobicContact CE1-CD1 3.64Å; Y89-L93 HydrophobicContact CE1-CD2 4.08Å; Y89-L93 HydrophobicContact CE1-CG 3.82Å; Y89-L93 PolarHBondContact O-N 3.44Å; Q90-L93 PolarHBondContact O-N 3.05Å; L93-A96 PolarHBondContact O-N 3.48Å; L93-A97 VanDerWaalsContact O-CB 3.28Å; L93-A97 WeakPolarHBondContact O-CB 3.34Å; L93-A97 PolarHBondContact O-N 3.36Å; L93-A707 HydrophobicContact CB-CB 4.02Å; L93-I711 HydrophobicContact CB-CD1 4.16Å; L93-I711 HydrophobicContact CD2-CD1 3.55Å; L93-I711 HydrophobicContact CG-CD1 4.46Å |
| 94 | V | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 177.4 | 165.9 | 0 | 0 | 0 | 0 | 111.3 | L8 I12 Q90 F92 A97 G98 A707 | L8-V94 HydrophobicContact CB-CG1 3.5Å; L8-V94 HydrophobicContact CD1-CG1 4.43Å; I12-V94 HydrophobicContact CG2-CG1 3.71Å; I12-V94 HydrophobicContact CG2-CG2 4.09Å; Q90-V94 WeakPolarHBondContact O-CB 3.33Å; Q90-V94 WeakPolarHBondContact O-CG2 3.38Å; Q90-V94 PolarHBondContact O-N 3.37Å; F92-V94 VanDerWaalsContact C-N 3.33Å; F92-V94 PolarHBondContact O-N 2.84Å; V94-A97 PolarHBondContact O-N 3.33Å; V94-G98 PolarHBondContact O-N 2.95Å; V94-A707 HydrophobicContact CG2-CB 4.19Å |
| 95 | Y | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 2% | 0.02 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 173.6 | 172.5 | -99.9 | 0 | 0 | 0 | 111.9 | I59 A91 F92 A97 G98 V99 F114 P116 | I59-Y95 HydrophobicContact CG2-CE1 4.23Å; A91-Y95 WeakPolarHBondContact O-CB 3.39Å; A91-Y95 PolarHBondContact O-N 3.42Å; F92-Y95 PolarHBondContact O-N 2.99Å; Y95-A97 PolarHBondContact O-N 3Å; Y95-G98 WeakPolarHBondContact O-CA 3.23Å; Y95-G98 PolarHBondContact O-N 3.36Å; Y95-G98 VanDerWaalsContact O-N 3.14Å; Y95-V99 HydrophobicContact CD1-CG2 4.46Å; Y95-V99 HydrophobicContact CE1-CG2 3.97Å; Y95-V99 HydrophobicContact CE2-CG2 4.09Å; Y95-V99 WeakPolarHBondContact O-CG2 3.28Å; Y95-V99 PolarHBondContact O-N 2.94Å; Y95-F114 AromaticContact CD2-CD2 3.88Å; Y95-F114 HydrophobicContact CD2-CD2 3.88Å; Y95-F114 AromaticContact CD2-CE2 3.97Å; Y95-F114 HydrophobicContact CD2-CE2 3.97Å; Y95-F114 HydrophobicContact CE2-CD2 4.05Å; Y95-F114 HydrophobicContact CE2-CE2 4.04Å; Y95-P116 HydrophobicContact CD1-CB 4.31Å; Y95-P116 HydrophobicContact CD1-CG 3.81Å; Y95-P116 HydrophobicContact CD2-CB 4.11Å; Y95-P116 HydrophobicContact CD2-CG 3.69Å; Y95-P116 HydrophobicContact CE1-CG 3.86Å; Y95-P116 HydrophobicContact CE2-CG 3.75Å; Y95-P116 HydrophobicContact CG-CB 3.93Å; Y95-P116 HydrophobicContact CG-CG 3.72Å |
| 96 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L63 F67 F92 L93 G98 V99 Y100 I711 | L63-A96 HydrophobicContact CD1-CB 3.91Å; L63-A96 HydrophobicContact CD2-CB 3.89Å; L63-A96 HydrophobicContact CG-CB 4.45Å; F67-A96 HydrophobicContact CE2-CB 3.76Å; F67-A96 HydrophobicContact CZ-CB 4.2Å; F92-A96 WeakPolarHBondContact O-CB 3.44Å; F92-A96 PolarHBondContact O-N 3.29Å; L93-A96 PolarHBondContact O-N 3.48Å; A96-G98 VanDerWaalsContact C-N 3.3Å; A96-G98 PolarHBondContact O-N 3.45Å; A96-V99 PolarHBondContact O-N 3.24Å; A96-Y100 VanDerWaalsContact O-CD2 3.32Å; A96-Y100 WeakPolarHBondContact O-CD2 3.47Å; A96-Y100 PolarHBondContact O-N 3.47Å; A96-Y100 VanDerWaalsContact O-N 3.1Å; A96-I711 HydrophobicContact CB-CD1 3.98Å; A96-I711 HydrophobicContact CB-CG1 4.21Å |
| 97 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L93 V94 Y95 Y100 A101 M670 A707 L710 I711 | L93-A97 VanDerWaalsContact O-CB 3.28Å; L93-A97 WeakPolarHBondContact O-CB 3.34Å; L93-A97 PolarHBondContact O-N 3.36Å; V94-A97 PolarHBondContact O-N 3.33Å; Y95-A97 PolarHBondContact O-N 3Å; A97-Y100 PolarHBondContact O-N 2.85Å; A97-A101 VanDerWaalsContact O-CB 3.28Å; A97-A101 WeakPolarHBondContact O-CB 3.38Å; A97-A101 PolarHBondContact O-N 3.27Å; A97-M670 HydrophobicContact CB-CE 4.03Å; A97-M670 HydrophobicContact CB-SD 4.42Å; A97-A707 HydrophobicContact CB-CB 4Å; A97-L710 HydrophobicContact CB-CB 4.13Å; A97-L710 HydrophobicContact CB-CD1 4.33Å; A97-L710 HydrophobicContact CB-CD2 4.14Å; A97-L710 HydrophobicContact CB-CG 4.43Å; A97-L710 WeakPolarHBondContact O-CD2 3.17Å; A97-I711 HydrophobicContact CB-CG1 4.41Å |
| 98 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V94 Y95 A96 Y100 A101 N102 F114 M670 | V94-G98 PolarHBondContact O-N 2.95Å; Y95-G98 WeakPolarHBondContact O-CA 3.23Å; Y95-G98 PolarHBondContact O-N 3.36Å; Y95-G98 VanDerWaalsContact O-N 3.14Å; A96-G98 VanDerWaalsContact C-N 3.3Å; A96-G98 PolarHBondContact O-N 3.45Å; G98-Y100 VanDerWaalsContact C-N 3.33Å; G98-Y100 PolarHBondContact O-N 2.83Å; G98-A101 PolarHBondContact O-N 3.22Å; G98-N102 PolarHBondContact O-N 2.9Å; G98-N102 PolarHBondContact O-ND2 2.9Å; G98-F114 VanDerWaalsContact C-CZ 3.46Å; G98-M670 VanDerWaalsContact CA-SD 3.59Å |
| 99 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 176.9 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | I59 L63 Y95 A96 M103 G104 F114 | I59-V99 HydrophobicContact CG2-CG1 4.09Å; I59-V99 HydrophobicContact CG2-CG2 4.05Å; L63-V99 HydrophobicContact CD1-CB 4.04Å; L63-V99 HydrophobicContact CD1-CG1 4.13Å; L63-V99 HydrophobicContact CD1-CG2 4.34Å; Y95-V99 HydrophobicContact CD1-CG2 4.46Å; Y95-V99 HydrophobicContact CE1-CG2 3.97Å; Y95-V99 HydrophobicContact CE2-CG2 4.09Å; Y95-V99 WeakPolarHBondContact O-CG2 3.28Å; Y95-V99 PolarHBondContact O-N 2.94Å; A96-V99 PolarHBondContact O-N 3.24Å; V99-M103 WeakPolarHBondContact O-CA 3.41Å; V99-M103 PolarHBondContact O-N 3.37Å; V99-G104 WeakPolarHBondContact CA-O 3.33Å; V99-G104 PolarHBondContact O-N 3.02Å; V99-F114 HydrophobicContact CG2-CE2 3.98Å; V99-F114 HydrophobicContact CG2-CZ 4.14Å |
| 100 | Y | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 0% | 0.004 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 177.1 | -68.5 | -37.3 | 0 | 0 | 0 | 113.1 | F60 L63 Q64 A96 A97 G98 N102 M103 L710 I711 F714 | F60-Y100 AromaticContact CD2-CD1 3.65Å; F60-Y100 HydrophobicContact CD2-CD1 3.65Å; F60-Y100 AromaticContact CD2-CE1 3.53Å; F60-Y100 HydrophobicContact CD2-CE1 3.53Å; F60-Y100 AromaticContact CE2-CD1 3.59Å; F60-Y100 HydrophobicContact CE2-CD1 3.59Å; F60-Y100 AromaticContact CE2-CE1 3.51Å; F60-Y100 HydrophobicContact CE2-CE1 3.51Å; F60-Y100 HydrophobicContact CG-CE1 4.45Å; F60-Y100 HydrophobicContact CZ-CE1 4.42Å; L63-Y100 HydrophobicContact CB-CE1 4.43Å; L63-Y100 VanDerWaalsContact CB-OH 3.31Å; L63-Y100 WeakPolarHBondContact CB-OH 3.28Å; Q64-Y100 HydrophobicContact CG-CE1 4.37Å; Q64-Y100 PolarHBondContact N-OH 3.48Å; Q64-Y100 PolarHBondContact NE2-OH 3.28Å; A96-Y100 VanDerWaalsContact O-CD2 3.32Å; A96-Y100 WeakPolarHBondContact O-CD2 3.47Å; A96-Y100 PolarHBondContact O-N 3.47Å; A96-Y100 VanDerWaalsContact O-N 3.1Å; A97-Y100 PolarHBondContact O-N 2.85Å; G98-Y100 VanDerWaalsContact C-N 3.33Å; G98-Y100 PolarHBondContact O-N 2.83Å; Y100-N102 VanDerWaalsContact C-N 3.27Å; Y100-N102 PolarHBondContact O-N 3.45Å; Y100-M103 PolarHBondContact O-N 3.41Å; Y100-L710 HydrophobicContact CD2-CD2 4.35Å; Y100-I711 HydrophobicContact CD2-CG1 4.15Å; Y100-I711 HydrophobicContact CE2-CB 4.31Å; Y100-I711 HydrophobicContact CE2-CG1 4.05Å; Y100-I711 HydrophobicContact CE2-CG2 4.23Å; Y100-F714 HydrophobicContact CD1-CB 4.1Å; Y100-F714 AromaticContact CD1-CD1 3.82Å; Y100-F714 HydrophobicContact CD1-CD1 3.82Å; Y100-F714 HydrophobicContact CD1-CE1 4.4Å; Y100-F714 AromaticContact CD1-CG 3.93Å; Y100-F714 HydrophobicContact CD1-CG 3.93Å; Y100-F714 HydrophobicContact CD2-CB 3.9Å; Y100-F714 HydrophobicContact CD2-CD2 4.3Å; Y100-F714 HydrophobicContact CD2-CG 4.08Å; Y100-F714 HydrophobicContact CE1-CB 4.28Å; Y100-F714 HydrophobicContact CE2-CB 4.07Å; Y100-F714 HydrophobicContact CG-CB 3.92Å; Y100-F714 AromaticContact CG-CD1 3.96Å; Y100-F714 HydrophobicContact CG-CD1 3.96Å; Y100-F714 AromaticContact CG-CD2 3.98Å; Y100-F714 HydrophobicContact CG-CD2 3.98Å; Y100-F714 HydrophobicContact CG-CE1 4.46Å; Y100-F714 HydrophobicContact CG-CE2 4.5Å; Y100-F714 AromaticContact CG-CG 3.67Å; Y100-F714 HydrophobicContact CG-CG 3.67Å; Y100-F714 WeakPolarHBondContact O-CZ 3.31Å |
| 101 | A | 98.3 | Very high | 97.8 | Very high | 28 Ų | 28 | 9.8 Ų | 9.8 | 23% | 0.231 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -68.4 | -24.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A97 G98 M670 L710 | A97-A101 VanDerWaalsContact O-CB 3.28Å; A97-A101 WeakPolarHBondContact O-CB 3.38Å; A97-A101 PolarHBondContact O-N 3.27Å; G98-A101 PolarHBondContact O-N 3.22Å; A101-M670 HydrophobicContact CB-CB 4.24Å; A101-M670 HydrophobicContact CB-CG 4.09Å; A101-M670 HydrophobicContact CB-SD 3.89Å; A101-L710 HydrophobicContact CB-CD1 4.15Å |
| 102 | N | 98.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 10.2 Ų | 10.2 | 10% | 0.096 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -107.8 | -2 | -179.2 | -66.5 | -93.3 | 0 | 0 | 0 | 113.6 | G98 Y100 G104 Y106 K107 S108 F114 S383 | G98-N102 PolarHBondContact O-N 2.9Å; G98-N102 PolarHBondContact O-ND2 2.9Å; Y100-N102 VanDerWaalsContact C-N 3.27Å; Y100-N102 PolarHBondContact O-N 3.45Å; N102-G104 PolarHBondContact O-N 3.45Å; N102-Y106 WeakPolarHBondContact CB-O 3.33Å; N102-K107 WeakPolarHBondContact OD1-CA 3.24Å; N102-S108 PolarHBondContact OD1-N 3.44Å; N102-S108 PolarHBondContact OD1-OG 3.19Å; N102-F114 HydrophobicContact CB-CE1 4.46Å; N102-S383 WeakPolarHBondContact CA-O 3.49Å |
| 103 | M | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 42.5 | -168.4 | -67.4 | -67 | 177.4 | 0 | 0 | 112.8 | W42 V48 L49 V99 Y100 G382 F714 | W42-M103 HydrophobicContact CE3-CE 4.08Å; W42-M103 HydrophobicContact CZ3-CE 3.81Å; V48-M103 HydrophobicContact CB-CB 3.73Å; V48-M103 HydrophobicContact CB-CG 4.37Å; V48-M103 HydrophobicContact CG1-CB 3.62Å; L49-M103 WeakPolarHBondContact CA-O 3.05Å; L49-M103 WeakPolarHBondContact CD2-O 3.4Å; L49-M103 PolarHBondContact N-O 3.43Å; V99-M103 WeakPolarHBondContact O-CA 3.41Å; V99-M103 PolarHBondContact O-N 3.37Å; Y100-M103 PolarHBondContact O-N 3.41Å; M103-G382 WeakPolarHBondContact CG-O 3.34Å; M103-F714 HydrophobicContact CE-CE1 3.47Å; M103-F714 VanDerWaalsContact CE-CE1 3.47Å; M103-F714 HydrophobicContact CE-CZ 3.88Å; M103-F714 HydrophobicContact SD-CE1 4.32Å |
| 104 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | S | Bend | trans | 157.3 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S56 V99 N102 Y106 F114 | S56-G104 VanDerWaalsContact OG-CA 3.22Å; S56-G104 WeakPolarHBondContact OG-CA 3.48Å; V99-G104 WeakPolarHBondContact CA-O 3.33Å; V99-G104 PolarHBondContact O-N 3.02Å; N102-G104 PolarHBondContact O-N 3.45Å; G104-Y106 VanDerWaalsContact C-N 3.32Å; G104-Y106 PolarHBondContact O-N 3.24Å; G104-F114 VanDerWaalsContact O-CZ 3.28Å; G104-F114 WeakPolarHBondContact O-CZ 3.45Å |
| 105 | N | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -92.1 | 20.5 | -176.9 | 68.3 | -33.3 | 0 | 0 | 0 | 114.6 | S53 E55 S56 I59 K113 F114 | S53-N105 PolarHBondContact OG-OD1 3.36Å; E55-N105 PolarHBondContact OE1-ND2 3.32Å; S56-N105 PolarHBondContact OG-N 2.83Å; S56-N105 PolarHBondContact OG-OD1 3.23Å; I59-N105 HydrophobicContact CD1-CB 4.13Å; N105-K113 WeakPolarHBondContact O-CA 3.45Å; N105-F114 WeakPolarHBondContact O-CD1 3.33Å; N105-F114 PolarHBondContact O-N 3.38Å |
| 106 | Y | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | B | Isolated β-bridge | trans | -123.8 | 137.6 | 172.6 | -71.8 | -107.6 | 0 | 0 | 0 | 108.9 | T52 N102 G104 S108 T112 K113 Q158 L161 I168 | T52-Y106 HydrophobicContact CG2-CD2 4.03Å; T52-Y106 HydrophobicContact CG2-CG 4.4Å; N102-Y106 WeakPolarHBondContact CB-O 3.33Å; G104-Y106 VanDerWaalsContact C-N 3.32Å; G104-Y106 PolarHBondContact O-N 3.24Å; Y106-S108 PolarHBondContact O-N 2.92Å; Y106-T112 WeakPolarHBondContact CA-O 3.27Å; Y106-K113 HydrophobicContact CD1-CB 3.95Å; Y106-K113 HydrophobicContact CE1-CB 3.58Å; Y106-K113 HydrophobicContact CE1-CD 4.45Å; Y106-K113 HydrophobicContact CE1-CG 4.21Å; Y106-K113 HydrophobicContact CE2-CB 4.36Å; Y106-K113 HydrophobicContact CE2-CD 4.24Å; Y106-K113 HydrophobicContact CE2-CG 4.11Å; Y106-K113 HydrophobicContact CG-CB 4.49Å; Y106-Q158 PolarHBondContact OH-O 3.32Å; Y106-L161 HydrophobicContact CD1-CD2 3.56Å; Y106-L161 HydrophobicContact CD1-CG 3.88Å; Y106-L161 HydrophobicContact CD2-CD2 4.2Å; Y106-L161 HydrophobicContact CE1-CD2 3.8Å; Y106-L161 HydrophobicContact CE1-CG 4.45Å; Y106-L161 HydrophobicContact CE2-CD2 4.43Å; Y106-L161 HydrophobicContact CG-CD2 3.78Å; Y106-L161 HydrophobicContact CG-CG 4.25Å; Y106-I168 HydrophobicContact CE1-CD1 4.34Å; Y106-I168 HydrophobicContact CE1-CG1 4.15Å; Y106-I168 HydrophobicContact CE2-CD1 3.63Å; Y106-I168 HydrophobicContact CE2-CG1 4.32Å; Y106-I168 VanDerWaalsContact CZ-CD1 3.43Å; Y106-I168 WeakPolarHBondContact OH-CD1 3.23Å; Y106-I168 VanDerWaalsContact OH-CG1 3.26Å; Y106-I168 WeakPolarHBondContact OH-CG1 3.33Å |
| 107 | K | 97.9 | Very high | 97.5 | Very high | 35 Ų | 35 | 12.1 Ų | 12.1 | 15% | 0.152 | 7% | 0.068 | C | C | . | . | trans | -64.8 | 124.7 | 178.3 | -63.5 | 171.1 | -179.5 | 169.4 | 0 | 109 | Q5 N102 F109 D111 T112 F114 | Q5-K107 PolarHBondContact O-NZ 3.09Å; N102-K107 WeakPolarHBondContact OD1-CA 3.24Å; K107-F109 PolarHBondContact O-N 2.76Å; K107-D111 VanDerWaalsContact O-CA 3.25Å; K107-D111 WeakPolarHBondContact O-CA 3.08Å; K107-D111 PolarHBondContact O-N 2.79Å; K107-T112 PolarHBondContact N-O 3.22Å; K107-F114 HydrophobicContact CG-CD1 3.88Å | ||
| 108 | S | 94.8 | Very high | 97.4 | Very high | 33 Ų | 33 | 12.6 Ų | 12.6 | 23% | 0.231 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.3 | 174.2 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | N102 Y106 S383 | N102-S108 PolarHBondContact OD1-N 3.44Å; N102-S108 PolarHBondContact OD1-OG 3.19Å; Y106-S108 PolarHBondContact O-N 2.92Å; S108-S383 WeakPolarHBondContact CB-O 3.49Å; S108-S383 WeakPolarHBondContact CB-OG 3.23Å; S108-S383 PolarHBondContact OG-O 3.48Å |
| 109 | F | 93.8 | Very high | 97.3 | Very high | 46 Ų | 46 | 15.3 Ų | 15.3 | 20% | 0.202 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 97.6 | 169.5 | -159.7 | -95.8 | 0 | 0 | 0 | 110.4 | K107 F555 Q565 M568 R668 | K107-F109 PolarHBondContact O-N 2.76Å; F109-F555 HydrophobicContact CD1-CD1 4.27Å; F109-F555 AromaticContact CD1-CE1 3.41Å; F109-F555 HydrophobicContact CD1-CE1 3.41Å; F109-F555 VanDerWaalsContact CD1-CE1 3.41Å; F109-F555 HydrophobicContact CD1-CE2 4.3Å; F109-F555 AromaticContact CD1-CZ 3.44Å; F109-F555 HydrophobicContact CD1-CZ 3.44Å; F109-F555 VanDerWaalsContact CD1-CZ 3.44Å; F109-F555 HydrophobicContact CE1-CD1 4.35Å; F109-F555 HydrophobicContact CE1-CD2 4.4Å; F109-F555 AromaticContact CE1-CE1 3.67Å; F109-F555 HydrophobicContact CE1-CE1 3.67Å; F109-F555 AromaticContact CE1-CE2 3.73Å; F109-F555 HydrophobicContact CE1-CE2 3.73Å; F109-F555 AromaticContact CE1-CZ 3.32Å; F109-F555 HydrophobicContact CE1-CZ 3.32Å; F109-Q565 HydrophobicContact CD1-CG 4.14Å; F109-Q565 HydrophobicContact CD2-CG 3.73Å; F109-Q565 HydrophobicContact CE1-CG 4.03Å; F109-Q565 HydrophobicContact CE2-CG 3.66Å; F109-Q565 HydrophobicContact CG-CG 4.01Å; F109-Q565 HydrophobicContact CZ-CG 3.81Å; F109-M568 HydrophobicContact CE1-CG 3.73Å; F109-M568 HydrophobicContact CE1-SD 4.25Å; F109-M568 HydrophobicContact CZ-CG 3.52Å; F109-M568 HydrophobicContact CZ-SD 3.91Å; F109-R668 VanDerWaalsContact CG-NH1 3.27Å |
| 110 | G | 92.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.9 | 3.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116 | T112 R564 | G110-T112 PolarHBondContact O-N 3.48Å; G110-T112 PolarHBondContact O-OG1 3.38Å; G110-R564 CarbonylContact C-O 3.13Å; G110-R564 WeakPolarHBondContact CA-O 3.48Å; G110-R564 WeakPolarHBondContact O-CB 3.23Å; G110-R564 WeakPolarHBondContact O-CD 3.43Å; G110-R564 PolarHBondContact O-NE 2.87Å |
| 111 | D | 96.6 | Very high | 97.2 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 11% | 0.107 | 13% | 0.13 | C | C | . | . | trans | 45.7 | 36.4 | 170.6 | -71.1 | -29.2 | 0 | 0 | 0 | 114.9 | K107 Q160 L161 R318 | K107-D111 VanDerWaalsContact O-CA 3.25Å; K107-D111 WeakPolarHBondContact O-CA 3.08Å; K107-D111 PolarHBondContact O-N 2.79Å; D111-Q160 CarbonylContact O-C 3.59Å; D111-Q160 WeakPolarHBondContact O-CA 3.43Å; D111-L161 HydrophobicContact CB-CB 3.98Å; D111-L161 HydrophobicContact CB-CD1 4.19Å; D111-L161 HydrophobicContact CB-CG 4.03Å; D111-L161 PolarHBondContact O-N 3.04Å; D111-R318 IonicContact OD1-CZ 3.01Å; D111-R318 IonicContact OD1-NE 2.67Å; D111-R318 PolarHBondContact OD1-NE 3.28Å; D111-R318 IonicContact OD1-NH2 3.97Å | ||
| 112 | T | 96.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 7% | 0.067 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -107.8 | 134.9 | -176.4 | -51.4 | 0 | 0 | 0 | 0 | 109.3 | Y6 Y106 K107 G110 K159 R564 | Y6-T112 HydrophobicContact CD1-CG2 3.67Å; Y6-T112 HydrophobicContact CE1-CG2 3.57Å; Y106-T112 WeakPolarHBondContact CA-O 3.27Å; K107-T112 PolarHBondContact N-O 3.22Å; G110-T112 PolarHBondContact O-N 3.48Å; G110-T112 PolarHBondContact O-OG1 3.38Å; T112-K159 WeakPolarHBondContact CA-O 3.32Å; T112-R564 PolarHBondContact OG1-NE 3.33Å; T112-R564 PolarHBondContact OG1-NH2 3.48Å |
| 113 | K | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -61 | 145.6 | 176.6 | -167.8 | 167.6 | -174.6 | 171.5 | 0 | 111 | E55 N105 Y106 I115 L150 S153 Q158 K159 | E55-K113 IonicContact OE1-NZ 3.44Å; N105-K113 WeakPolarHBondContact O-CA 3.45Å; Y106-K113 HydrophobicContact CD1-CB 3.95Å; Y106-K113 HydrophobicContact CE1-CB 3.58Å; Y106-K113 HydrophobicContact CE1-CD 4.45Å; Y106-K113 HydrophobicContact CE1-CG 4.21Å; Y106-K113 HydrophobicContact CE2-CB 4.36Å; Y106-K113 HydrophobicContact CE2-CD 4.24Å; Y106-K113 HydrophobicContact CE2-CG 4.11Å; Y106-K113 HydrophobicContact CG-CB 4.49Å; K113-I115 HydrophobicContact CG-CG2 4.44Å; K113-L150 WeakPolarHBondContact CE-O 3.45Å; K113-L150 PolarHBondContact NZ-O 3.43Å; K113-S153 WeakPolarHBondContact CD-O 3.35Å; K113-S153 VanDerWaalsContact CE-O 3.32Å; K113-S153 WeakPolarHBondContact CE-O 3.31Å; K113-S153 PolarHBondContact NZ-O 3.29Å; K113-Q158 WeakPolarHBondContact CB-O 3.48Å; K113-Q158 HydrophobicContact CD-CB 4.45Å; K113-Q158 WeakPolarHBondContact CD-O 3.43Å; K113-K159 PolarHBondContact N-O 2.8Å |
| 114 | F | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | trans | -127.8 | 137.7 | 165.4 | 63.6 | -86.7 | 0 | 0 | 0 | 111 | Y6 L8 Y95 G98 V99 N102 G104 N105 K107 | Y6-F114 CarbonylContact O-C 3.24Å; Y6-F114 VanDerWaalsContact O-CA 3.26Å; Y6-F114 WeakPolarHBondContact O-CA 3.45Å; L8-F114 HydrophobicContact CD1-CD2 3.82Å; L8-F114 HydrophobicContact CD1-CE2 3.94Å; L8-F114 HydrophobicContact CD1-CG 4.32Å; L8-F114 HydrophobicContact CG-CB 4.33Å; L8-F114 HydrophobicContact CG-CD2 4.01Å; L8-F114 HydrophobicContact CG-CG 4.19Å; Y95-F114 AromaticContact CD2-CD2 3.88Å; Y95-F114 HydrophobicContact CD2-CD2 3.88Å; Y95-F114 AromaticContact CD2-CE2 3.97Å; Y95-F114 HydrophobicContact CD2-CE2 3.97Å; Y95-F114 HydrophobicContact CE2-CD2 4.05Å; Y95-F114 HydrophobicContact CE2-CE2 4.04Å; G98-F114 VanDerWaalsContact C-CZ 3.46Å; V99-F114 HydrophobicContact CG2-CE2 3.98Å; V99-F114 HydrophobicContact CG2-CZ 4.14Å; N102-F114 HydrophobicContact CB-CE1 4.46Å; G104-F114 VanDerWaalsContact O-CZ 3.28Å; G104-F114 WeakPolarHBondContact O-CZ 3.45Å; N105-F114 WeakPolarHBondContact O-CD1 3.33Å; N105-F114 PolarHBondContact O-N 3.38Å; K107-F114 HydrophobicContact CG-CD1 3.88Å | ||
| 115 | I | 98.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -113.2 | 161 | -179 | 71.2 | 163.6 | 0 | 0 | 0 | 110 | V2 Y6 K113 N117 I151 Y152 L154 | V2-I115 HydrophobicContact CG1-CD1 3.82Å; V2-I115 HydrophobicContact CG1-CG1 4.07Å; V2-I115 HydrophobicContact CG2-CD1 3.88Å; Y6-I115 WeakPolarHBondContact O-CG1 3.5Å; Y6-I115 PolarHBondContact O-N 2.99Å; K113-I115 HydrophobicContact CG-CG2 4.44Å; I115-N117 PolarHBondContact O-N 3.06Å; I115-I151 WeakPolarHBondContact CB-O 3.26Å; I115-I151 WeakPolarHBondContact CG2-O 3.19Å; I115-Y152 HydrophobicContact CD1-CD1 4.14Å; I115-L154 HydrophobicContact CD1-CD1 3.88Å; I115-L154 HydrophobicContact CD1-CG 4.27Å; I115-L154 HydrophobicContact CG1-CD1 4.5Å; I115-L154 HydrophobicContact CG2-CD2 3.83Å; I115-L154 HydrophobicContact CG2-CG 4.2Å |
| 116 | P | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | trans | -62.5 | 133.4 | 175.5 | -16.7 | 28.7 | 0 | 0 | 0 | 111.2 | Y95 L118 L123 I151 Y152 | Y95-P116 HydrophobicContact CD1-CB 4.31Å; Y95-P116 HydrophobicContact CD1-CG 3.81Å; Y95-P116 HydrophobicContact CD2-CB 4.11Å; Y95-P116 HydrophobicContact CD2-CG 3.69Å; Y95-P116 HydrophobicContact CE1-CG 3.86Å; Y95-P116 HydrophobicContact CE2-CG 3.75Å; Y95-P116 HydrophobicContact CG-CB 3.93Å; Y95-P116 HydrophobicContact CG-CG 3.72Å; P116-L118 HydrophobicContact CB-CD2 3.31Å; P116-L118 HydrophobicContact CB-CG 4.46Å; P116-L118 PolarHBondContact O-N 2.59Å; P116-L123 HydrophobicContact CB-CD2 4.25Å; P116-L123 HydrophobicContact CG-CD2 3.89Å; P116-I151 HydrophobicContact CG-CG2 3.52Å; P116-Y152 HydrophobicContact CB-CE1 4.12Å; P116-Y152 WeakPolarHBondContact CB-OH 3.15Å; P116-Y152 HydrophobicContact CG-CE1 4.13Å; P116-Y152 HydrophobicContact CG-CE2 4.08Å | ||
| 117 | N | 97 | Very high | 97 | Very high | 51 Ų | 51 | 29.5 Ų | 29.5 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -84.1 | 47.1 | 177.9 | -168.8 | 35 | 0 | 0 | 0 | 112.4 | Y7 A91 I115 | Y7-N117 HydrophobicContact CD2-CB 3.87Å; Y7-N117 HydrophobicContact CG-CB 3.98Å; A91-N117 HydrophobicContact CB-CB 3.96Å; A91-N117 VanDerWaalsContact CB-O 3.26Å; A91-N117 WeakPolarHBondContact CB-O 3.13Å; I115-N117 PolarHBondContact O-N 3.06Å |
| 118 | L | 96.8 | Very high | 97 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -145.5 | 157.6 | 174.8 | 69.9 | 160.7 | 0 | 0 | 0 | 109.5 | D88 A91 F92 P116 K122 L123 Y152 | D88-L118 HydrophobicContact CB-CB 3.94Å; D88-L118 HydrophobicContact CB-CD1 4.28Å; A91-L118 HydrophobicContact CB-CB 4.49Å; A91-L118 HydrophobicContact CB-CD2 4.41Å; F92-L118 HydrophobicContact CB-CD1 4.28Å; F92-L118 HydrophobicContact CB-CD2 4.12Å; P116-L118 HydrophobicContact CB-CD2 3.31Å; P116-L118 HydrophobicContact CB-CG 4.46Å; P116-L118 PolarHBondContact O-N 2.59Å; L118-K122 HydrophobicContact CD1-CB 4.49Å; L118-L123 HydrophobicContact CD1-CB 3.99Å; L118-L123 HydrophobicContact CD1-CD1 4.48Å; L118-L123 HydrophobicContact CG-CB 4.3Å; L118-Y152 VanDerWaalsContact O-CE1 3.24Å; L118-Y152 WeakPolarHBondContact O-CE1 3.42Å; L118-Y152 PolarHBondContact O-OH 2.93Å |
| 119 | P | 96.9 | Very high | 97.2 | Very high | 57 Ų | 57 | 31.8 Ų | 31.8 | 37% | 0.37 | 17% | 0.168 | S | C | . | . | trans | -59.1 | 139.9 | 176.2 | -25.3 | 35.3 | 0 | 0 | 0 | 113.1 | D121 K122 L123 | P119-D121 VanDerWaalsContact C-N 3.3Å; P119-D121 WeakPolarHBondContact CB-OD1 3.44Å; P119-D121 PolarHBondContact O-N 3.39Å; P119-K122 HydrophobicContact CB-CB 4.41Å; P119-K122 HydrophobicContact CB-CD 4.5Å; P119-K122 HydrophobicContact CB-CG 4.14Å; P119-K122 HydrophobicContact CG-CD 4.16Å; P119-K122 HydrophobicContact CG-CG 4.35Å; P119-K122 WeakPolarHBondContact O-CB 3.43Å; P119-K122 PolarHBondContact O-N 3.39Å; P119-K122 VanDerWaalsContact O-N 3.1Å; P119-L123 PolarHBondContact O-N 2.79Å; P119-L123 VanDerWaalsContact O-N 3.11Å | ||
| 120 | K | 97.2 | Very high | 97.4 | Very high | 67 Ų | 67 | 29.6 Ų | 29.6 | 29% | 0.291 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.8 | -41.7 | -178.4 | 179.5 | 178.2 | 178.8 | 179.5 | 0 | 112.8 | K122 L123 E124 W144 S148 Y152 | K120-K122 VanDerWaalsContact C-N 3.33Å; K120-K122 PolarHBondContact O-N 2.69Å; K120-L123 PolarHBondContact O-N 2.86Å; K120-E124 WeakPolarHBondContact O-CB 3.49Å; K120-E124 PolarHBondContact O-N 2.85Å; K120-W144 HydrophobicContact CG-CZ2 4.48Å; K120-S148 WeakPolarHBondContact CE-O 3.45Å; K120-S148 PolarHBondContact NZ-O 2.91Å; K120-Y152 HydrophobicContact CB-CD1 4.27Å; K120-Y152 HydrophobicContact CB-CD2 3.87Å; K120-Y152 HydrophobicContact CB-CE1 4.2Å; K120-Y152 HydrophobicContact CB-CE2 3.77Å; K120-Y152 HydrophobicContact CB-CG 4.12Å; K120-Y152 HydrophobicContact CD-CD2 3.98Å; K120-Y152 HydrophobicContact CD-CG 4.4Å; K120-Y152 HydrophobicContact CG-CD2 3.7Å; K120-Y152 HydrophobicContact CG-CE2 3.74Å; K120-Y152 HydrophobicContact CG-CG 4.33Å |
| 121 | D | 97.1 | Very high | 97.7 | Very high | 109 Ų | 109 | 33.5 Ų | 33.5 | 58% | 0.583 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -64.2 | -35.9 | 178.5 | 61.3 | -47.9 | 0 | 0 | 0 | 112.4 | P119 E124 A125 | P119-D121 VanDerWaalsContact C-N 3.3Å; P119-D121 WeakPolarHBondContact CB-OD1 3.44Å; P119-D121 PolarHBondContact O-N 3.39Å; D121-E124 PolarHBondContact O-N 3.04Å; D121-A125 WeakPolarHBondContact O-CB 3.47Å; D121-A125 PolarHBondContact O-N 3.18Å |
| 122 | K | 97.7 | Very high | 97.8 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 28% | 0.283 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68.8 | -42.1 | 173.5 | -68 | -165.4 | -168.8 | -178.7 | 0 | 112.2 | V84 D88 L118 P119 K120 E124 A125 L126 | V84-K122 HydrophobicContact CG2-CB 4.32Å; D88-K122 WeakPolarHBondContact OD2-CD 3.45Å; D88-K122 IonicContact OD2-NZ 3.38Å; D88-K122 PolarHBondContact OD2-NZ 3.29Å; L118-K122 HydrophobicContact CD1-CB 4.49Å; P119-K122 HydrophobicContact CB-CB 4.41Å; P119-K122 HydrophobicContact CB-CD 4.5Å; P119-K122 HydrophobicContact CB-CG 4.14Å; P119-K122 HydrophobicContact CG-CD 4.16Å; P119-K122 HydrophobicContact CG-CG 4.35Å; P119-K122 WeakPolarHBondContact O-CB 3.43Å; P119-K122 PolarHBondContact O-N 3.39Å; P119-K122 VanDerWaalsContact O-N 3.1Å; K120-K122 VanDerWaalsContact C-N 3.33Å; K120-K122 PolarHBondContact O-N 2.69Å; K122-E124 VanDerWaalsContact C-N 3.33Å; K122-A125 PolarHBondContact O-N 2.76Å; K122-L126 PolarHBondContact O-N 2.84Å |
| 123 | L | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 174.7 | -177.5 | 56.4 | 0 | 0 | 0 | 110.9 | F92 P116 L118 P119 K120 A125 L126 V127 W144 Y152 | F92-L123 HydrophobicContact CD2-CD1 3.39Å; F92-L123 HydrophobicContact CE2-CD1 3.67Å; F92-L123 HydrophobicContact CG-CD1 4.11Å; P116-L123 HydrophobicContact CB-CD2 4.25Å; P116-L123 HydrophobicContact CG-CD2 3.89Å; L118-L123 HydrophobicContact CD1-CB 3.99Å; L118-L123 HydrophobicContact CD1-CD1 4.48Å; L118-L123 HydrophobicContact CG-CB 4.3Å; P119-L123 PolarHBondContact O-N 2.79Å; P119-L123 VanDerWaalsContact O-N 3.11Å; K120-L123 PolarHBondContact O-N 2.86Å; L123-A125 PolarHBondContact O-N 3.26Å; L123-L126 HydrophobicContact CD1-CD2 4.49Å; L123-L126 PolarHBondContact O-N 3.21Å; L123-V127 HydrophobicContact CD1-CG2 4.29Å; L123-V127 HydrophobicContact CG-CG2 4.43Å; L123-V127 WeakPolarHBondContact O-CG2 3.38Å; L123-V127 PolarHBondContact O-N 3.06Å; L123-W144 HydrophobicContact CB-CH2 4.21Å; L123-W144 HydrophobicContact CD2-CH2 3.93Å; L123-W144 HydrophobicContact CD2-CZ3 4.07Å; L123-W144 HydrophobicContact CG-CH2 3.77Å; L123-W144 HydrophobicContact CG-CZ3 4.01Å; L123-Y152 WeakPolarHBondContact CB-OH 3.1Å; L123-Y152 HydrophobicContact CD2-CE2 3.93Å; L123-Y152 VanDerWaalsContact CD2-OH 3.32Å; L123-Y152 WeakPolarHBondContact CD2-OH 3.39Å |
| 124 | E | 98.1 | Very high | 97.9 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 174.8 | -176.3 | 167 | 174.6 | 0 | 0 | 111.8 | K120 D121 K122 L126 V127 R128 W144 | K120-E124 WeakPolarHBondContact O-CB 3.49Å; K120-E124 PolarHBondContact O-N 2.85Å; D121-E124 PolarHBondContact O-N 3.04Å; K122-E124 VanDerWaalsContact C-N 3.33Å; E124-L126 VanDerWaalsContact C-N 3.31Å; E124-L126 PolarHBondContact O-N 3.19Å; E124-V127 PolarHBondContact O-N 3.02Å; E124-R128 HydrophobicContact CG-CG 4.37Å; E124-R128 WeakPolarHBondContact O-CB 3.41Å; E124-R128 WeakPolarHBondContact O-CG 3.14Å; E124-R128 PolarHBondContact O-N 2.87Å; E124-R128 IonicContact OE1-CZ 3.6Å; E124-R128 VanDerWaalsContact OE1-CZ 3.27Å; E124-R128 IonicContact OE1-NE 2.72Å; E124-R128 PolarHBondContact OE1-NE 3.26Å; E124-R128 IonicContact OE1-NH2 2.68Å; E124-R128 PolarHBondContact OE1-NH2 3.31Å; E124-W144 HydrophobicContact CB-CH2 4.47Å; E124-W144 HydrophobicContact CB-CZ2 3.6Å; E124-W144 HydrophobicContact CG-CZ2 4.12Å |
| 125 | A | 97.8 | Very high | 97.8 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.5 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D121 K122 L123 A129 | D121-A125 WeakPolarHBondContact O-CB 3.47Å; D121-A125 PolarHBondContact O-N 3.18Å; K122-A125 PolarHBondContact O-N 2.76Å; L123-A125 PolarHBondContact O-N 3.26Å; A125-A129 WeakPolarHBondContact O-CB 3.34Å; A125-A129 PolarHBondContact O-N 3.26Å |
| 126 | L | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -47.5 | 174.8 | 176.1 | 57.7 | 0 | 0 | 0 | 112.3 | L75 V78 A79 V84 Y89 F92 K122 L123 E124 R128 A129 S130 | L75-L126 HydrophobicContact CD1-CD1 3.93Å; L75-L126 HydrophobicContact CG-CD1 4.12Å; V78-L126 HydrophobicContact CG1-CD1 4.49Å; A79-L126 HydrophobicContact CB-CD1 3.7Å; A79-L126 HydrophobicContact CB-CD2 4.43Å; V84-L126 HydrophobicContact CG2-CB 4.26Å; Y89-L126 HydrophobicContact CD2-CD2 4.11Å; Y89-L126 HydrophobicContact CE2-CD2 4.21Å; F92-L126 HydrophobicContact CD1-CD2 3.7Å; F92-L126 HydrophobicContact CE1-CD2 3.96Å; F92-L126 HydrophobicContact CG-CD2 4.12Å; K122-L126 PolarHBondContact O-N 2.84Å; L123-L126 HydrophobicContact CD1-CD2 4.49Å; L123-L126 PolarHBondContact O-N 3.21Å; E124-L126 VanDerWaalsContact C-N 3.31Å; E124-L126 PolarHBondContact O-N 3.19Å; L126-R128 VanDerWaalsContact C-N 3.34Å; L126-R128 PolarHBondContact O-N 3.17Å; L126-A129 PolarHBondContact O-N 2.71Å; L126-S130 PolarHBondContact O-N 3.41Å |
| 127 | V | 98 | Very high | 97.8 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 178.7 | 170 | 0 | 0 | 0 | 0 | 110 | L62 I66 L123 E124 A129 S130 F133 W144 | L62-V127 HydrophobicContact CD1-CG1 4.2Å; I66-V127 HydrophobicContact CD1-CG2 4.05Å; L123-V127 HydrophobicContact CD1-CG2 4.29Å; L123-V127 HydrophobicContact CG-CG2 4.43Å; L123-V127 WeakPolarHBondContact O-CG2 3.38Å; L123-V127 PolarHBondContact O-N 3.06Å; E124-V127 PolarHBondContact O-N 3.02Å; V127-A129 VanDerWaalsContact C-N 3.33Å; V127-A129 PolarHBondContact O-N 2.71Å; V127-S130 WeakPolarHBondContact O-CB 3.22Å; V127-S130 PolarHBondContact O-N 3.17Å; V127-S130 PolarHBondContact O-OG 3.12Å; V127-F133 HydrophobicContact CG1-CD2 4.35Å; V127-F133 WeakPolarHBondContact O-CB 3.18Å; V127-W144 HydrophobicContact CB-CE3 4.42Å; V127-W144 HydrophobicContact CG1-CD2 4.49Å; V127-W144 HydrophobicContact CG1-CE3 4.28Å; V127-W144 HydrophobicContact CG2-CE3 3.96Å; V127-W144 HydrophobicContact CG2-CZ3 3.91Å |
| 128 | R | 98 | Very high | 97.8 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 30% | 0.302 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 178.3 | -69.2 | 179.3 | -179.6 | -68.1 | -6.1 | 113 | E124 L126 S130 F133 Q134 E141 | E124-R128 HydrophobicContact CG-CG 4.37Å; E124-R128 WeakPolarHBondContact O-CB 3.41Å; E124-R128 WeakPolarHBondContact O-CG 3.14Å; E124-R128 PolarHBondContact O-N 2.87Å; E124-R128 IonicContact OE1-CZ 3.6Å; E124-R128 VanDerWaalsContact OE1-CZ 3.27Å; E124-R128 IonicContact OE1-NE 2.72Å; E124-R128 PolarHBondContact OE1-NE 3.26Å; E124-R128 IonicContact OE1-NH2 2.68Å; E124-R128 PolarHBondContact OE1-NH2 3.31Å; L126-R128 VanDerWaalsContact C-N 3.34Å; L126-R128 PolarHBondContact O-N 3.17Å; R128-S130 VanDerWaalsContact C-N 3.33Å; R128-F133 HydrophobicContact CG-CD2 4.39Å; R128-F133 HydrophobicContact CG-CE2 4.05Å; R128-F133 HydrophobicContact CG-CZ 4.14Å; R128-F133 WeakPolarHBondContact O-CD1 3.34Å; R128-Q134 PolarHBondContact O-NE2 3.01Å; R128-E141 IonicContact CZ-OE1 3.36Å; R128-E141 IonicContact CZ-OE2 3.62Å; R128-E141 IonicContact NH1-OE1 3.92Å; R128-E141 IonicContact NH1-OE2 2.88Å; R128-E141 PolarHBondContact NH1-OE2 3.09Å; R128-E141 IonicContact NH2-OE1 2.81Å; R128-E141 PolarHBondContact NH2-OE1 3.19Å; R128-E141 IonicContact NH2-OE2 2.81Å; R128-E141 PolarHBondContact NH2-OE2 3.41Å; R128-E141 VanDerWaalsContact NH2-OE2 3.17Å |
| 129 | A | 98.1 | Very high | 97.7 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 30% | 0.298 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -77.7 | -17.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V78 A82 A125 L126 V127 | V78-A129 HydrophobicContact CG1-CB 3.62Å; V78-A129 WeakPolarHBondContact CG1-O 3.28Å; A82-A129 HydrophobicContact CB-CB 4.08Å; A125-A129 WeakPolarHBondContact O-CB 3.34Å; A125-A129 PolarHBondContact O-N 3.26Å; L126-A129 PolarHBondContact O-N 2.71Å; V127-A129 VanDerWaalsContact C-N 3.33Å; V127-A129 PolarHBondContact O-N 2.71Å |
| 130 | S | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -62.4 | 147.3 | -179.1 | 74.8 | 0 | 0 | 0 | 0 | 112.5 | L126 V127 R128 A132 F133 Q134 | L126-S130 PolarHBondContact O-N 3.41Å; V127-S130 WeakPolarHBondContact O-CB 3.22Å; V127-S130 PolarHBondContact O-N 3.17Å; V127-S130 PolarHBondContact O-OG 3.12Å; R128-S130 VanDerWaalsContact C-N 3.33Å; S130-A132 PolarHBondContact O-N 3.23Å; S130-F133 WeakPolarHBondContact O-CB 3.46Å; S130-F133 PolarHBondContact O-N 3.1Å; S130-F133 PolarHBondContact OG-N 2.91Å; S130-Q134 WeakPolarHBondContact O-CG 3.39Å; S130-Q134 PolarHBondContact O-N 3.38Å |
| 131 | Q | 98.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.8 | -34.8 | 175.6 | -178.1 | 173 | -8.2 | 0 | 0 | 111.9 | K69 Q70 F133 Q134 E135 | K69-Q131 HydrophobicContact CB-CB 4.24Å; K69-Q131 HydrophobicContact CB-CG 4.33Å; Q70-Q131 HydrophobicContact CG-CB 3.87Å; Q131-F133 VanDerWaalsContact C-N 3.29Å; Q131-F133 PolarHBondContact O-N 2.97Å; Q131-Q134 PolarHBondContact O-N 2.86Å; Q131-E135 HydrophobicContact CG-CG 4.28Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.36Å; Q131-E135 PolarHBondContact NE2-OE1 3.37Å; Q131-E135 WeakPolarHBondContact O-CG 3.26Å; Q131-E135 PolarHBondContact O-N 2.85Å |
| 132 | A | 97.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.1 | -41.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R65 I66 K69 S130 N136 M140 | R65-A132 HydrophobicContact CB-CB 4.46Å; R65-A132 WeakPolarHBondContact O-CB 3.32Å; I66-A132 HydrophobicContact CG1-CB 4.39Å; K69-A132 HydrophobicContact CB-CB 4.38Å; K69-A132 HydrophobicContact CG-CB 4.04Å; S130-A132 PolarHBondContact O-N 3.23Å; A132-N136 PolarHBondContact O-N 3.26Å; A132-N136 VanDerWaalsContact O-N 3.11Å; A132-M140 HydrophobicContact CB-CE 3.94Å; A132-M140 HydrophobicContact CB-SD 4.33Å |
| 133 | F | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.8 | -40.9 | 175 | -166.1 | -75.6 | 0 | 0 | 0 | 112.1 | V127 R128 S130 Q131 E135 N136 P137 M140 E141 | V127-F133 HydrophobicContact CG1-CD2 4.35Å; V127-F133 WeakPolarHBondContact O-CB 3.18Å; R128-F133 HydrophobicContact CG-CD2 4.39Å; R128-F133 HydrophobicContact CG-CE2 4.05Å; R128-F133 HydrophobicContact CG-CZ 4.14Å; R128-F133 WeakPolarHBondContact O-CD1 3.34Å; S130-F133 WeakPolarHBondContact O-CB 3.46Å; S130-F133 PolarHBondContact O-N 3.1Å; S130-F133 PolarHBondContact OG-N 2.91Å; Q131-F133 VanDerWaalsContact C-N 3.29Å; Q131-F133 PolarHBondContact O-N 2.97Å; F133-E135 VanDerWaalsContact C-N 3.3Å; F133-E135 PolarHBondContact O-N 2.73Å; F133-N136 CarbonylContact O-C 3.49Å; F133-N136 PolarHBondContact O-N 3.04Å; F133-P137 HydrophobicContact CD1-CB 4.18Å; F133-P137 HydrophobicContact CE1-CB 3.85Å; F133-P137 HydrophobicContact CZ-CB 4.41Å; F133-P137 WeakPolarHBondContact O-CA 3.45Å; F133-P137 WeakPolarHBondContact O-CB 3.29Å; F133-P137 WeakPolarHBondContact O-CD 3.45Å; F133-M140 HydrophobicContact CB-CB 4.24Å; F133-M140 HydrophobicContact CB-CG 4.49Å; F133-M140 HydrophobicContact CD2-CB 3.49Å; F133-M140 VanDerWaalsContact CD2-CB 3.49Å; F133-M140 HydrophobicContact CE2-CB 4.07Å; F133-M140 HydrophobicContact CG-CB 4.09Å; F133-E141 HydrophobicContact CE2-CB 4.32Å; F133-E141 WeakPolarHBondContact CE2-OE2 3.38Å; F133-E141 HydrophobicContact CZ-CB 4.39Å; F133-E141 WeakPolarHBondContact CZ-OE2 3.34Å |
| 134 | Q | 98.1 | Very high | 97.6 | Very high | 129 Ų | 129 | 49.8 Ų | 49.8 | 60% | 0.603 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.7 | -35.9 | 178.9 | -61.9 | -56.2 | -54 | 0 | 0 | 112.5 | R128 S130 Q131 | R128-Q134 PolarHBondContact O-NE2 3.01Å; S130-Q134 WeakPolarHBondContact O-CG 3.39Å; S130-Q134 PolarHBondContact O-N 3.38Å; Q131-Q134 PolarHBondContact O-N 2.86Å |
| 135 | E | 97.9 | Very high | 97.5 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -78 | -37.3 | 177.9 | -70.4 | 179 | -167.6 | 0 | 0 | 112.9 | K69 Q131 F133 | K69-E135 WeakPolarHBondContact CD-OE2 3.2Å; K69-E135 WeakPolarHBondContact CE-OE2 3.48Å; K69-E135 IonicContact NZ-OE2 3.22Å; K69-E135 PolarHBondContact NZ-OE2 3.19Å; Q131-E135 HydrophobicContact CG-CG 4.28Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.36Å; Q131-E135 PolarHBondContact NE2-OE1 3.37Å; Q131-E135 WeakPolarHBondContact O-CG 3.26Å; Q131-E135 PolarHBondContact O-N 2.85Å; F133-E135 VanDerWaalsContact C-N 3.3Å; F133-E135 PolarHBondContact O-N 2.73Å |
| 136 | N | 97 | Very high | 97.3 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -134.3 | 65.1 | -175.9 | -63.9 | -65.6 | 0 | 0 | 0 | 112.7 | A132 F133 T138 E139 M140 | A132-N136 PolarHBondContact O-N 3.26Å; A132-N136 VanDerWaalsContact O-N 3.11Å; F133-N136 CarbonylContact O-C 3.49Å; F133-N136 PolarHBondContact O-N 3.04Å; N136-T138 PolarHBondContact O-N 3.34Å; N136-E139 PolarHBondContact O-N 3.42Å; N136-M140 WeakPolarHBondContact O-CB 3.29Å; N136-M140 VanDerWaalsContact O-CG 3.31Å; N136-M140 WeakPolarHBondContact O-CG 3.36Å; N136-M140 PolarHBondContact O-N 3Å |
| 137 | P | 97.6 | Very high | 97 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | -169.3 | 23.1 | -33.7 | 0 | 0 | 0 | 113.2 | F133 E141 | F133-P137 HydrophobicContact CD1-CB 4.18Å; F133-P137 HydrophobicContact CE1-CB 3.85Å; F133-P137 HydrophobicContact CZ-CB 4.41Å; F133-P137 WeakPolarHBondContact O-CA 3.45Å; F133-P137 WeakPolarHBondContact O-CB 3.29Å; F133-P137 WeakPolarHBondContact O-CD 3.45Å; P137-E141 WeakPolarHBondContact O-CB 3.48Å; P137-E141 PolarHBondContact O-N 3.47Å |
| 138 | T | 97.7 | Very high | 96.9 | Very high | 120 Ų | 120 | 50.7 Ų | 50.7 | 74% | 0.736 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | -179.1 | -56 | 0 | 0 | 0 | 0 | 112.2 | N136 A142 | N136-T138 PolarHBondContact O-N 3.34Å; T138-A142 PolarHBondContact O-N 3.08Å; T138-A142 VanDerWaalsContact O-N 3.11Å |
| 139 | E | 95.6 | Very high | 96.8 | Very high | 100 Ų | 100 | 51 Ų | 51 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.7 | -42.5 | -180 | -64.6 | -170.9 | -169.3 | 0 | 0 | 111.8 | R65 N136 E141 A142 L143 | R65-E139 IonicContact CZ-OE2 2.74Å; R65-E139 IonicContact NH1-OE2 2.73Å; R65-E139 PolarHBondContact NH1-OE2 3.15Å; R65-E139 IonicContact NH2-OE2 2.63Å; R65-E139 PolarHBondContact NH2-OE2 3.2Å; N136-E139 PolarHBondContact O-N 3.42Å; E139-E141 VanDerWaalsContact C-N 3.32Å; E139-E141 PolarHBondContact O-N 2.89Å; E139-A142 PolarHBondContact O-N 2.95Å; E139-L143 WeakPolarHBondContact O-CB 3.41Å; E139-L143 PolarHBondContact O-N 2.88Å |
| 140 | M | 98 | Very high | 96.7 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 178.7 | -68.7 | -66.3 | -67.4 | 0 | 0 | 111.7 | L62 R65 I66 A132 F133 N136 L143 W144 | L62-M140 HydrophobicContact CD1-CE 3.52Å; L62-M140 HydrophobicContact CD1-SD 4.36Å; R65-M140 HydrophobicContact CB-CE 4.49Å; R65-M140 HydrophobicContact CB-SD 3.97Å; I66-M140 HydrophobicContact CD1-CE 4.38Å; I66-M140 HydrophobicContact CG1-CE 3.88Å; A132-M140 HydrophobicContact CB-CE 3.94Å; A132-M140 HydrophobicContact CB-SD 4.33Å; F133-M140 HydrophobicContact CB-CB 4.24Å; F133-M140 HydrophobicContact CB-CG 4.49Å; F133-M140 HydrophobicContact CD2-CB 3.49Å; F133-M140 VanDerWaalsContact CD2-CB 3.49Å; F133-M140 HydrophobicContact CE2-CB 4.07Å; F133-M140 HydrophobicContact CG-CB 4.09Å; N136-M140 WeakPolarHBondContact O-CB 3.29Å; N136-M140 VanDerWaalsContact O-CG 3.31Å; N136-M140 WeakPolarHBondContact O-CG 3.36Å; N136-M140 PolarHBondContact O-N 3Å; M140-L143 PolarHBondContact O-N 2.85Å; M140-W144 WeakPolarHBondContact O-CB 3.34Å; M140-W144 PolarHBondContact O-N 2.79Å |
| 141 | E | 97.9 | Very high | 96.7 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 34% | 0.341 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 171.8 | -171.3 | 64.7 | -161.4 | 0 | 0 | 111.7 | R128 F133 P137 E139 L143 W144 G145 | R128-E141 IonicContact CZ-OE1 3.36Å; R128-E141 IonicContact CZ-OE2 3.62Å; R128-E141 IonicContact NH1-OE1 3.92Å; R128-E141 IonicContact NH1-OE2 2.88Å; R128-E141 PolarHBondContact NH1-OE2 3.09Å; R128-E141 IonicContact NH2-OE1 2.81Å; R128-E141 PolarHBondContact NH2-OE1 3.19Å; R128-E141 IonicContact NH2-OE2 2.81Å; R128-E141 PolarHBondContact NH2-OE2 3.41Å; R128-E141 VanDerWaalsContact NH2-OE2 3.17Å; F133-E141 HydrophobicContact CE2-CB 4.32Å; F133-E141 WeakPolarHBondContact CE2-OE2 3.38Å; F133-E141 HydrophobicContact CZ-CB 4.39Å; F133-E141 WeakPolarHBondContact CZ-OE2 3.34Å; P137-E141 WeakPolarHBondContact O-CB 3.48Å; P137-E141 PolarHBondContact O-N 3.47Å; E139-E141 VanDerWaalsContact C-N 3.32Å; E139-E141 PolarHBondContact O-N 2.89Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.43Å; E141-W144 PolarHBondContact O-N 3.17Å; E141-G145 PolarHBondContact O-N 3.18Å |
| 142 | A | 96 | Very high | 96.6 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T138 E139 S146 | T138-A142 PolarHBondContact O-N 3.08Å; T138-A142 VanDerWaalsContact O-N 3.11Å; E139-A142 PolarHBondContact O-N 2.95Å; A142-S146 WeakPolarHBondContact O-CB 3.47Å; A142-S146 PolarHBondContact O-N 3.17Å; A142-S146 PolarHBondContact O-OG 3.45Å |
| 143 | L | 95.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.9 | -42.4 | 180 | -170.4 | 60.6 | 0 | 0 | 0 | 112.9 | N58 V61 L62 E139 M140 E141 S146 S147 L730 | N58-L143 HydrophobicContact CB-CD1 3.82Å; V61-L143 HydrophobicContact CB-CD2 4.37Å; V61-L143 HydrophobicContact CG1-CD2 3.91Å; L62-L143 VanDerWaalsContact CA-CD2 3.46Å; L62-L143 HydrophobicContact CB-CD2 3.73Å; L62-L143 HydrophobicContact CB-CG 4.02Å; L62-L143 HydrophobicContact CD1-CD2 4.03Å; L62-L143 HydrophobicContact CD1-CG 4.27Å; E139-L143 WeakPolarHBondContact O-CB 3.41Å; E139-L143 PolarHBondContact O-N 2.88Å; M140-L143 PolarHBondContact O-N 2.85Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.43Å; L143-S146 PolarHBondContact O-OG 3.39Å; L143-S147 PolarHBondContact O-OG 2.59Å; L143-L730 HydrophobicContact CD1-CD2 3.62Å |
| 144 | W | 97.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 171.6 | 178.1 | -107.5 | 0 | 0 | 0 | 111 | L62 K120 L123 E124 V127 M140 E141 S146 S147 S148 I151 | L62-W144 HydrophobicContact CD2-CE3 3.84Å; L62-W144 HydrophobicContact CD2-CZ3 4.28Å; K120-W144 HydrophobicContact CG-CZ2 4.48Å; L123-W144 HydrophobicContact CB-CH2 4.21Å; L123-W144 HydrophobicContact CD2-CH2 3.93Å; L123-W144 HydrophobicContact CD2-CZ3 4.07Å; L123-W144 HydrophobicContact CG-CH2 3.77Å; L123-W144 HydrophobicContact CG-CZ3 4.01Å; E124-W144 HydrophobicContact CB-CH2 4.47Å; E124-W144 HydrophobicContact CB-CZ2 3.6Å; E124-W144 HydrophobicContact CG-CZ2 4.12Å; V127-W144 HydrophobicContact CB-CE3 4.42Å; V127-W144 HydrophobicContact CG1-CD2 4.49Å; V127-W144 HydrophobicContact CG1-CE3 4.28Å; V127-W144 HydrophobicContact CG2-CE3 3.96Å; V127-W144 HydrophobicContact CG2-CZ3 3.91Å; M140-W144 WeakPolarHBondContact O-CB 3.34Å; M140-W144 PolarHBondContact O-N 2.79Å; E141-W144 PolarHBondContact O-N 3.17Å; W144-S146 VanDerWaalsContact C-N 3.3Å; W144-S146 PolarHBondContact O-N 3.02Å; W144-S147 PolarHBondContact O-N 2.98Å; W144-S148 WeakPolarHBondContact O-CB 3.06Å; W144-S148 PolarHBondContact O-N 3.25Å; W144-S148 PolarHBondContact O-OG 3.35Å; W144-I151 HydrophobicContact CZ3-CD1 4.23Å |
| 145 | G | 95.5 | Very high | 96.2 | Very high | 49 Ų | 49 | 51.8 Ų | 51.8 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E141 S147 | E141-G145 PolarHBondContact O-N 3.18Å; G145-S147 VanDerWaalsContact C-N 3.33Å; G145-S147 PolarHBondContact O-N 2.99Å |
| 146 | S | 92.4 | Very high | 95.9 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 42% | 0.42 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -75.3 | -17.6 | -179.4 | 71.7 | 0 | 0 | 0 | 0 | 114.6 | N58 A142 L143 W144 | N58-S146 PolarHBondContact ND2-OG 3.23Å; N58-S146 VanDerWaalsContact ND2-OG 3.08Å; A142-S146 WeakPolarHBondContact O-CB 3.47Å; A142-S146 PolarHBondContact O-N 3.17Å; A142-S146 PolarHBondContact O-OG 3.45Å; L143-S146 PolarHBondContact O-OG 3.39Å; W144-S146 VanDerWaalsContact C-N 3.3Å; W144-S146 PolarHBondContact O-N 3.02Å |
| 147 | S | 93.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -126 | -26.2 | -171.3 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | L143 W144 G145 C149 L150 I151 | L143-S147 PolarHBondContact O-OG 2.59Å; W144-S147 PolarHBondContact O-N 2.98Å; G145-S147 VanDerWaalsContact C-N 3.33Å; G145-S147 PolarHBondContact O-N 2.99Å; S147-C149 VanDerWaalsContact C-N 3.3Å; S147-C149 PolarHBondContact O-N 3.23Å; S147-C149 VanDerWaalsContact O-N 3.13Å; S147-L150 CarbonylContact O-C 3.45Å; S147-L150 WeakPolarHBondContact O-CA 3.27Å; S147-L150 PolarHBondContact O-N 2.96Å; S147-I151 WeakPolarHBondContact O-CG1 3.34Å; S147-I151 PolarHBondContact O-N 2.87Å |
| 148 | S | 95.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.8 | -31.4 | -168.9 | 67.1 | 0 | 0 | 0 | 0 | 115.4 | K120 W144 | K120-S148 WeakPolarHBondContact CE-O 3.45Å; K120-S148 PolarHBondContact NZ-O 2.91Å; W144-S148 WeakPolarHBondContact O-CB 3.06Å; W144-S148 PolarHBondContact O-N 3.25Å; W144-S148 PolarHBondContact O-OG 3.35Å |
| 149 | C | 95.4 | Very high | 95.4 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -70.1 | -47.4 | 173.1 | -68.3 | 0 | 0 | 0 | 0 | 110.8 | S147 I151 Y152 S153 | S147-C149 VanDerWaalsContact C-N 3.3Å; S147-C149 PolarHBondContact O-N 3.23Å; S147-C149 VanDerWaalsContact O-N 3.13Å; C149-I151 VanDerWaalsContact C-N 3.34Å; C149-I151 PolarHBondContact O-N 3.38Å; C149-Y152 PolarHBondContact O-N 3.44Å; C149-S153 VanDerWaalsContact O-CB 3.24Å; C149-S153 WeakPolarHBondContact O-CB 3.41Å; C149-S153 PolarHBondContact O-N 3.15Å |
| 150 | L | 96.3 | Very high | 95.4 | Very high | 53 Ų | 53 | 46.2 Ų | 46.2 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.7 | -32.1 | 179.1 | -66.9 | 174.1 | 0 | 0 | 0 | 112.4 | E55 K113 S147 Y152 S153 | E55-L150 HydrophobicContact CB-CB 3.94Å; E55-L150 HydrophobicContact CB-CD1 3.94Å; E55-L150 HydrophobicContact CG-CB 3.88Å; K113-L150 WeakPolarHBondContact CE-O 3.45Å; K113-L150 PolarHBondContact NZ-O 3.43Å; S147-L150 CarbonylContact O-C 3.45Å; S147-L150 WeakPolarHBondContact O-CA 3.27Å; S147-L150 PolarHBondContact O-N 2.96Å; L150-Y152 PolarHBondContact O-N 3.13Å; L150-S153 PolarHBondContact O-N 2.97Å |
| 151 | I | 97.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.8 | -39.3 | 174.6 | -72.9 | 171.9 | 0 | 0 | 0 | 111.8 | I59 I115 P116 W144 S147 C149 | I59-I151 HydrophobicContact CD1-CD1 4.48Å; I59-I151 HydrophobicContact CD1-CG1 3.68Å; I59-I151 HydrophobicContact CG1-CD1 3.95Å; I59-I151 HydrophobicContact CG1-CG1 3.69Å; I115-I151 WeakPolarHBondContact CB-O 3.26Å; I115-I151 WeakPolarHBondContact CG2-O 3.19Å; P116-I151 HydrophobicContact CG-CG2 3.52Å; W144-I151 HydrophobicContact CZ3-CD1 4.23Å; S147-I151 WeakPolarHBondContact O-CG1 3.34Å; S147-I151 PolarHBondContact O-N 2.87Å; C149-I151 VanDerWaalsContact C-N 3.34Å; C149-I151 PolarHBondContact O-N 3.38Å |
| 152 | Y | 97.3 | Very high | 95.3 | Very high | 38 Ų | 38 | 43.9 Ų | 43.9 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -105.4 | -10.4 | -174.9 | -78.2 | -86.1 | 0 | 0 | 0 | 114.4 | I115 P116 L118 K120 L123 C149 L150 L154 | I115-Y152 HydrophobicContact CD1-CD1 4.14Å; P116-Y152 HydrophobicContact CB-CE1 4.12Å; P116-Y152 WeakPolarHBondContact CB-OH 3.15Å; P116-Y152 HydrophobicContact CG-CE1 4.13Å; P116-Y152 HydrophobicContact CG-CE2 4.08Å; L118-Y152 VanDerWaalsContact O-CE1 3.24Å; L118-Y152 WeakPolarHBondContact O-CE1 3.42Å; L118-Y152 PolarHBondContact O-OH 2.93Å; K120-Y152 HydrophobicContact CB-CD1 4.27Å; K120-Y152 HydrophobicContact CB-CD2 3.87Å; K120-Y152 HydrophobicContact CB-CE1 4.2Å; K120-Y152 HydrophobicContact CB-CE2 3.77Å; K120-Y152 HydrophobicContact CB-CG 4.12Å; K120-Y152 HydrophobicContact CD-CD2 3.98Å; K120-Y152 HydrophobicContact CD-CG 4.4Å; K120-Y152 HydrophobicContact CG-CD2 3.7Å; K120-Y152 HydrophobicContact CG-CE2 3.74Å; K120-Y152 HydrophobicContact CG-CG 4.33Å; L123-Y152 WeakPolarHBondContact CB-OH 3.1Å; L123-Y152 HydrophobicContact CD2-CE2 3.93Å; L123-Y152 VanDerWaalsContact CD2-OH 3.32Å; L123-Y152 WeakPolarHBondContact CD2-OH 3.39Å; C149-Y152 PolarHBondContact O-N 3.44Å; L150-Y152 PolarHBondContact O-N 3.13Å; Y152-L154 PolarHBondContact O-N 3.33Å |
| 153 | S | 96.3 | Very high | 95.2 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | trans | -71.5 | 128.3 | -174.4 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | K113 C149 L150 Q158 | K113-S153 WeakPolarHBondContact CD-O 3.35Å; K113-S153 VanDerWaalsContact CE-O 3.32Å; K113-S153 WeakPolarHBondContact CE-O 3.31Å; K113-S153 PolarHBondContact NZ-O 3.29Å; C149-S153 VanDerWaalsContact O-CB 3.24Å; C149-S153 WeakPolarHBondContact O-CB 3.41Å; C149-S153 PolarHBondContact O-N 3.15Å; L150-S153 PolarHBondContact O-N 2.97Å; S153-Q158 PolarHBondContact OG-OE1 3.42Å | ||
| 154 | L | 95.9 | Very high | 95.1 | Very high | 48 Ų | 48 | 42 Ų | 42 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | trans | -122.5 | 37.5 | 174.1 | -65.3 | 177 | 0 | 0 | 0 | 110.1 | V2 Y6 I115 Y152 K159 | V2-L154 HydrophobicContact CG1-CD1 3.86Å; Y6-L154 HydrophobicContact CD1-CD2 4.06Å; Y6-L154 HydrophobicContact CD2-CD1 4.14Å; Y6-L154 HydrophobicContact CD2-CD2 4.4Å; Y6-L154 HydrophobicContact CG-CD1 4.19Å; Y6-L154 HydrophobicContact CG-CD2 3.81Å; I115-L154 HydrophobicContact CD1-CD1 3.88Å; I115-L154 HydrophobicContact CD1-CG 4.27Å; I115-L154 HydrophobicContact CG1-CD1 4.5Å; I115-L154 HydrophobicContact CG2-CD2 3.83Å; I115-L154 HydrophobicContact CG2-CG 4.2Å; Y152-L154 PolarHBondContact O-N 3.33Å; L154-K159 WeakPolarHBondContact O-CE 3.11Å | ||
| 155 | E | 94.2 | Very high | 94.8 | Very high | 126 Ų | 126 | 49 Ų | 49 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | trans | -56.8 | 147.1 | 163.7 | -70.2 | 177.7 | 178.8 | 0 | 0 | 109.8 | R157 Q158 K159 | E155-R157 VanDerWaalsContact C-N 3.28Å; E155-R157 PolarHBondContact O-N 2.98Å; E155-R157 VanDerWaalsContact O-N 3.15Å; E155-Q158 HydrophobicContact CB-CG 4.43Å; E155-Q158 WeakPolarHBondContact O-CA 3.05Å; E155-Q158 PolarHBondContact O-N 2.74Å; E155-Q158 PolarHBondContact OE2-NE2 3.47Å; E155-K159 PolarHBondContact O-N 2.99Å | ||
| 156 | D | 90.6 | Very high | 94.5 | Very high | 127 Ų | 127 | 52.3 Ų | 52.3 | 68% | 0.679 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -55.4 | -42.2 | -167.7 | -69.9 | -29.3 | 0 | 0 | 0 | 113.2 | Q158 K159 | D156-Q158 PolarHBondContact O-N 3.31Å; D156-K159 PolarHBondContact O-N 3.26Å; D156-K159 WeakPolarHBondContact OD1-CE 3.48Å; D156-K159 IonicContact OD1-NZ 3.13Å; D156-K159 PolarHBondContact OD1-NZ 2.82Å |
| 157 | R | 91.8 | Very high | 94.7 | Very high | 96 Ų | 96 | 49.4 Ų | 49.4 | 36% | 0.362 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -64 | -24.7 | 177.1 | -169.2 | 178.1 | 179.7 | -166.3 | 3 | 113.5 | E155 G164 G167 I168 G174 | E155-R157 VanDerWaalsContact C-N 3.28Å; E155-R157 PolarHBondContact O-N 2.98Å; E155-R157 VanDerWaalsContact O-N 3.15Å; R157-G164 PolarHBondContact NE-O 3.5Å; R157-G164 PolarHBondContact NH2-O 3.41Å; R157-G167 VanDerWaalsContact CG-O 3.26Å; R157-G167 WeakPolarHBondContact CG-O 3.46Å; R157-G167 PolarHBondContact NE-O 2.9Å; R157-G167 VanDerWaalsContact NE-O 3.09Å; R157-G167 CarbonylContact O-C 3.53Å; R157-G167 WeakPolarHBondContact O-CA 3.4Å; R157-I168 HydrophobicContact CG-CG2 4.4Å; R157-I168 PolarHBondContact O-N 3.15Å; R157-G174 PolarHBondContact NH2-O 2.96Å |
| 158 | Q | 95.1 | Very high | 94.8 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -95.9 | -0.8 | -177.4 | -59.3 | 172 | 13.1 | 0 | 0 | 112.5 | Y106 K113 S153 E155 D156 Q160 I168 | Y106-Q158 PolarHBondContact OH-O 3.32Å; K113-Q158 WeakPolarHBondContact CB-O 3.48Å; K113-Q158 HydrophobicContact CD-CB 4.45Å; K113-Q158 WeakPolarHBondContact CD-O 3.43Å; S153-Q158 PolarHBondContact OG-OE1 3.42Å; E155-Q158 HydrophobicContact CB-CG 4.43Å; E155-Q158 WeakPolarHBondContact O-CA 3.05Å; E155-Q158 PolarHBondContact O-N 2.74Å; E155-Q158 PolarHBondContact OE2-NE2 3.47Å; D156-Q158 PolarHBondContact O-N 3.31Å; Q158-Q160 VanDerWaalsContact C-N 3.28Å; Q158-Q160 PolarHBondContact O-N 3.47Å; Q158-I168 HydrophobicContact CG-CG2 4.19Å |
| 159 | K | 95.2 | Very high | 95 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 25% | 0.248 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -73.4 | -22.6 | -180 | -73.4 | 173.2 | -178.4 | 169.7 | 0 | 112.9 | Y6 T112 K113 L154 E155 D156 | Y6-K159 HydrophobicContact CE1-CB 3.79Å; Y6-K159 HydrophobicContact CE1-CD 4.32Å; Y6-K159 HydrophobicContact CE1-CG 3.91Å; Y6-K159 HydrophobicContact CE2-CD 4.47Å; T112-K159 WeakPolarHBondContact CA-O 3.32Å; K113-K159 PolarHBondContact N-O 2.8Å; L154-K159 WeakPolarHBondContact O-CE 3.11Å; E155-K159 PolarHBondContact O-N 2.99Å; D156-K159 PolarHBondContact O-N 3.26Å; D156-K159 WeakPolarHBondContact OD1-CE 3.48Å; D156-K159 IonicContact OD1-NZ 3.13Å; D156-K159 PolarHBondContact OD1-NZ 2.82Å |
| 160 | Q | 95.7 | Very high | 95.1 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -148.3 | 162.6 | -176.2 | 68.4 | -172.8 | 16.9 | 0 | 0 | 112.6 | D111 Q158 K166 G167 I168 T557 S560 | D111-Q160 CarbonylContact O-C 3.59Å; D111-Q160 WeakPolarHBondContact O-CA 3.43Å; Q158-Q160 VanDerWaalsContact C-N 3.28Å; Q158-Q160 PolarHBondContact O-N 3.47Å; Q160-K166 VanDerWaalsContact CG-O 3.24Å; Q160-K166 WeakPolarHBondContact CG-O 3Å; Q160-K166 PolarHBondContact NE2-O 2.85Å; Q160-G167 VanDerWaalsContact O-CA 3.25Å; Q160-G167 WeakPolarHBondContact O-CA 3.16Å; Q160-I168 PolarHBondContact O-N 3.39Å; Q160-I168 VanDerWaalsContact O-N 3.12Å; Q160-T557 PolarHBondContact OE1-OG1 2.98Å; Q160-S560 PolarHBondContact NE2-OG 3.06Å |
| 161 | L | 97.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -75.2 | 146.3 | 167.9 | -56.2 | -173.8 | 0 | 0 | 0 | 111.5 | Y106 D111 I168 R318 | Y106-L161 HydrophobicContact CD1-CD2 3.56Å; Y106-L161 HydrophobicContact CD1-CG 3.88Å; Y106-L161 HydrophobicContact CD2-CD2 4.2Å; Y106-L161 HydrophobicContact CE1-CD2 3.8Å; Y106-L161 HydrophobicContact CE1-CG 4.45Å; Y106-L161 HydrophobicContact CE2-CD2 4.43Å; Y106-L161 HydrophobicContact CG-CD2 3.78Å; Y106-L161 HydrophobicContact CG-CG 4.25Å; D111-L161 HydrophobicContact CB-CB 3.98Å; D111-L161 HydrophobicContact CB-CD1 4.19Å; D111-L161 HydrophobicContact CB-CG 4.03Å; D111-L161 PolarHBondContact O-N 3.04Å; L161-I168 CarbonylContact C-O 3.57Å; L161-I168 WeakPolarHBondContact CA-O 3.25Å; L161-I168 HydrophobicContact CD2-CD1 4.38Å; L161-I168 HydrophobicContact CD2-CG1 3.87Å; L161-I168 WeakPolarHBondContact CD2-O 3.47Å; L161-R318 VanDerWaalsContact CD1-NH2 3.35Å |
| 162 | G | 96.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | trans | 167.2 | 167.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G167 I168 | G162-G167 CarbonylContact O-C 3.59Å; G162-G167 VanDerWaalsContact O-C 3.25Å; G162-I168 PolarHBondContact N-O 3.32Å; G162-I168 CarbonylContact O-C 3.58Å; G162-I168 VanDerWaalsContact O-C 3.24Å | ||
| 163 | L | 95.1 | Very high | 95.3 | Very high | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -88.6 | 152.1 | 174.1 | -84.5 | 164 | 0 | 0 | 0 | 112.2 | D165 K166 T169 F172 C176 A181 P320 | L163-D165 PolarHBondContact O-N 2.85Å; L163-K166 WeakPolarHBondContact O-CB 3.47Å; L163-K166 PolarHBondContact O-N 2.91Å; L163-K166 VanDerWaalsContact O-N 3.09Å; L163-T169 HydrophobicContact CD2-CG2 4.14Å; L163-T169 HydrophobicContact CG-CG2 4.49Å; L163-F172 HydrophobicContact CD1-CE2 4.25Å; L163-F172 HydrophobicContact CD1-CZ 4.43Å; L163-F172 HydrophobicContact CD2-CB 3.99Å; L163-F172 HydrophobicContact CD2-CD1 4.16Å; L163-F172 HydrophobicContact CD2-CD2 3.67Å; L163-F172 HydrophobicContact CD2-CE2 4.13Å; L163-F172 HydrophobicContact CD2-CG 3.69Å; L163-F172 HydrophobicContact CG-CD2 4.31Å; L163-F172 HydrophobicContact CG-CE2 4.42Å; L163-C176 HydrophobicContact CD2-CB 4.16Å; L163-A181 HydrophobicContact CD1-CB 3.99Å; L163-P320 HydrophobicContact CB-CB 4.39Å; L163-P320 HydrophobicContact CD1-CB 4.04Å; L163-P320 HydrophobicContact CG-CB 3.85Å; L163-P320 HydrophobicContact CG-CG 4.34Å |
| 164 | G | 92.9 | Very high | 95.3 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | 53.5 | -130.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R157 K166 C176 | R157-G164 PolarHBondContact NE-O 3.5Å; R157-G164 PolarHBondContact NH2-O 3.41Å; G164-K166 PolarHBondContact O-N 3.38Å; G164-C176 PolarHBondContact N-O 3.04Å |
| 165 | D | 90.4 | Very high | 95.3 | Very high | 153 Ų | 153 | 43.2 Ų | 43.2 | 82% | 0.818 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -76.6 | -10.2 | -178.7 | -59.2 | -26.3 | 0 | 0 | 0 | 113.4 | L163 G167 | L163-D165 PolarHBondContact O-N 2.85Å; D165-G167 VanDerWaalsContact C-N 3.33Å |
| 166 | K | 91.2 | Very high | 95.4 | Very high | 117 Ų | 117 | 37.3 Ų | 37.3 | 51% | 0.509 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -75.5 | -21.8 | -177.9 | -62.6 | -176.1 | -179.7 | 178.4 | 0 | 112.8 | Q160 L163 G164 | Q160-K166 VanDerWaalsContact CG-O 3.24Å; Q160-K166 WeakPolarHBondContact CG-O 3Å; Q160-K166 PolarHBondContact NE2-O 2.85Å; L163-K166 WeakPolarHBondContact O-CB 3.47Å; L163-K166 PolarHBondContact O-N 2.91Å; L163-K166 VanDerWaalsContact O-N 3.09Å; G164-K166 PolarHBondContact O-N 3.38Å |
| 167 | G | 94.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | 178.4 | -167.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R157 Q160 G162 D165 | R157-G167 VanDerWaalsContact CG-O 3.26Å; R157-G167 WeakPolarHBondContact CG-O 3.46Å; R157-G167 PolarHBondContact NE-O 2.9Å; R157-G167 VanDerWaalsContact NE-O 3.09Å; R157-G167 CarbonylContact O-C 3.53Å; R157-G167 WeakPolarHBondContact O-CA 3.4Å; Q160-G167 VanDerWaalsContact O-CA 3.25Å; Q160-G167 WeakPolarHBondContact O-CA 3.16Å; G162-G167 CarbonylContact O-C 3.59Å; G162-G167 VanDerWaalsContact O-C 3.25Å; D165-G167 VanDerWaalsContact C-N 3.33Å | ||
| 168 | I | 96.8 | Very high | 95.8 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 11% | 0.108 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -106.6 | 154.7 | 165 | 68.2 | 154.2 | 0 | 0 | 0 | 111 | Y106 R157 Q158 Q160 L161 G162 | Y106-I168 HydrophobicContact CE1-CD1 4.34Å; Y106-I168 HydrophobicContact CE1-CG1 4.15Å; Y106-I168 HydrophobicContact CE2-CD1 3.63Å; Y106-I168 HydrophobicContact CE2-CG1 4.32Å; Y106-I168 VanDerWaalsContact CZ-CD1 3.43Å; Y106-I168 WeakPolarHBondContact OH-CD1 3.23Å; Y106-I168 VanDerWaalsContact OH-CG1 3.26Å; Y106-I168 WeakPolarHBondContact OH-CG1 3.33Å; R157-I168 HydrophobicContact CG-CG2 4.4Å; R157-I168 PolarHBondContact O-N 3.15Å; Q158-I168 HydrophobicContact CG-CG2 4.19Å; Q160-I168 PolarHBondContact O-N 3.39Å; Q160-I168 VanDerWaalsContact O-N 3.12Å; L161-I168 CarbonylContact C-O 3.57Å; L161-I168 WeakPolarHBondContact CA-O 3.25Å; L161-I168 HydrophobicContact CD2-CD1 4.38Å; L161-I168 HydrophobicContact CD2-CG1 3.87Å; L161-I168 WeakPolarHBondContact CD2-O 3.47Å; G162-I168 PolarHBondContact N-O 3.32Å; G162-I168 CarbonylContact O-C 3.58Å; G162-I168 VanDerWaalsContact O-C 3.24Å |
| 169 | T | 98.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | trans | -155.7 | 149.1 | 170 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | L163 Y171 F172 P320 W740 | L163-T169 HydrophobicContact CD2-CG2 4.14Å; L163-T169 HydrophobicContact CG-CG2 4.49Å; T169-Y171 PolarHBondContact OG1-N 2.9Å; T169-F172 HydrophobicContact CG2-CB 4.03Å; T169-F172 HydrophobicContact CG2-CD2 3.94Å; T169-F172 HydrophobicContact CG2-CG 4.46Å; T169-P320 HydrophobicContact CG2-CG 4.19Å; T169-W740 PolarHBondContact O-NE1 3.23Å | ||
| 170 | T | 98.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -111.4 | 4.2 | 171.8 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | L50 Q51 T52 P54 R199 W740 | L50-T170 VanDerWaalsContact O-CB 3.25Å; L50-T170 WeakPolarHBondContact O-CB 3.44Å; L50-T170 PolarHBondContact O-OG1 3.31Å; Q51-T170 VanDerWaalsContact CA-OG1 3.23Å; Q51-T170 WeakPolarHBondContact CA-OG1 3.28Å; Q51-T170 PolarHBondContact O-OG1 2.96Å; T52-T170 PolarHBondContact N-OG1 2.95Å; P54-T170 HydrophobicContact CG-CG2 4.03Å; T170-R199 WeakPolarHBondContact O-CD 3.47Å; T170-R199 PolarHBondContact O-NH1 2.9Å; T170-W740 HydrophobicContact CG2-CD2 4.4Å; T170-W740 HydrophobicContact CG2-CH2 4.31Å; T170-W740 HydrophobicContact CG2-CZ2 3.84Å |
| 171 | Y | 98.7 | Very high | 96 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -67.5 | -26.2 | 162.9 | -70.5 | -82.7 | 0 | 0 | 0 | 111.7 | Q51 T169 R199 L200 R318 R324 E326 | Q51-Y171 HydrophobicContact CB-CE2 4.46Å; T169-Y171 PolarHBondContact OG1-N 2.9Å; Y171-R199 WeakPolarHBondContact O-CA 3.39Å; Y171-R199 WeakPolarHBondContact O-CB 3.42Å; Y171-L200 PolarHBondContact O-N 3.27Å; Y171-R318 HydrophobicContact CE2-CB 4.43Å; Y171-R324 HydrophobicContact CD1-CB 3.58Å; Y171-R324 HydrophobicContact CD1-CG 4.35Å; Y171-R324 HydrophobicContact CE1-CB 3.84Å; Y171-E326 WeakPolarHBondContact OH-CA 3.49Å; Y171-E326 WeakPolarHBondContact OH-CB 3.35Å; Y171-E326 PolarHBondContact OH-N 3.13Å |
| 172 | F | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -125.9 | 153 | 176.7 | -55.9 | -99.7 | 0 | 0 | 0 | 110.9 | L163 T169 C176 A181 L200 D319 F321 R324 W740 | L163-F172 HydrophobicContact CD1-CE2 4.25Å; L163-F172 HydrophobicContact CD1-CZ 4.43Å; L163-F172 HydrophobicContact CD2-CB 3.99Å; L163-F172 HydrophobicContact CD2-CD1 4.16Å; L163-F172 HydrophobicContact CD2-CD2 3.67Å; L163-F172 HydrophobicContact CD2-CE2 4.13Å; L163-F172 HydrophobicContact CD2-CG 3.69Å; L163-F172 HydrophobicContact CG-CD2 4.31Å; L163-F172 HydrophobicContact CG-CE2 4.42Å; T169-F172 HydrophobicContact CG2-CB 4.03Å; T169-F172 HydrophobicContact CG2-CD2 3.94Å; T169-F172 HydrophobicContact CG2-CG 4.46Å; F172-C176 HydrophobicContact CB-CB 3.74Å; F172-C176 HydrophobicContact CD1-CB 4.17Å; F172-C176 HydrophobicContact CG-CB 4.3Å; F172-A181 HydrophobicContact CE1-CB 3.56Å; F172-A181 HydrophobicContact CZ-CB 3.69Å; F172-L200 CarbonylContact C-O 3.47Å; F172-L200 WeakPolarHBondContact CA-O 3.31Å; F172-L200 HydrophobicContact CD1-CB 3.71Å; F172-L200 HydrophobicContact CD1-CD2 3.74Å; F172-L200 HydrophobicContact CD1-CG 4.26Å; F172-L200 HydrophobicContact CE1-CB 4.01Å; F172-L200 HydrophobicContact CE1-CD2 3.82Å; F172-D319 VanDerWaalsContact CE2-OD1 3.23Å; F172-D319 WeakPolarHBondContact CE2-OD1 3.41Å; F172-F321 HydrophobicContact CE2-CB 4.41Å; F172-F321 HydrophobicContact CZ-CB 3.99Å; F172-R324 VanDerWaalsContact CZ-CZ 3.49Å; F172-W740 PolarHBondContact O-NE1 3.46Å |
| 173 | S | 98 | Very high | 96 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | trans | -62.5 | 149.6 | 164 | 55 | 0 | 0 | 0 | 0 | 111 | N175 C176 L200 K202 | S173-N175 WeakPolarHBondContact CB-OD1 3.25Å; S173-N175 PolarHBondContact O-N 3.26Å; S173-N175 PolarHBondContact OG-OD1 2.95Å; S173-C176 WeakPolarHBondContact O-CB 3.41Å; S173-C176 PolarHBondContact O-N 2.86Å; S173-C176 PolarHBondContact OG-SG 3.28Å; S173-C176 VanDerWaalsContact OG-SG 3.37Å; S173-L200 PolarHBondContact N-O 3.03Å; S173-K202 PolarHBondContact OG-N 2.92Å | ||
| 174 | G | 96.1 | Very high | 96.1 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 19% | 0.186 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R157 Y739 | R157-G174 PolarHBondContact NH2-O 2.96Å; G174-Y739 PolarHBondContact N-O 2.93Å |
| 175 | N | 95.6 | Very high | 96.3 | Very high | 79 Ų | 79 | 35.6 Ų | 35.6 | 42% | 0.422 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.9 | 173.7 | 62 | -10.3 | 0 | 0 | 0 | 113.7 | S173 K202 | S173-N175 WeakPolarHBondContact CB-OD1 3.25Å; S173-N175 PolarHBondContact O-N 3.26Å; S173-N175 PolarHBondContact OG-OD1 2.95Å; N175-K202 PolarHBondContact ND2-O 2.91Å; N175-K202 WeakPolarHBondContact O-CE 3.32Å; N175-K202 PolarHBondContact O-NZ 3.03Å; N175-K202 PolarHBondContact OD1-O 3.32Å |
| 176 | C | 97.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | trans | -77.6 | 141.3 | 178.6 | -71.8 | 0 | 0 | 0 | 0 | 113 | L163 G164 F172 S173 D180 K202 | L163-C176 HydrophobicContact CD2-CB 4.16Å; G164-C176 PolarHBondContact N-O 3.04Å; F172-C176 HydrophobicContact CB-CB 3.74Å; F172-C176 HydrophobicContact CD1-CB 4.17Å; F172-C176 HydrophobicContact CG-CB 4.3Å; S173-C176 WeakPolarHBondContact O-CB 3.41Å; S173-C176 PolarHBondContact O-N 2.86Å; S173-C176 PolarHBondContact OG-SG 3.28Å; S173-C176 VanDerWaalsContact OG-SG 3.37Å; C176-D180 VanDerWaalsContact CA-OD2 3.22Å; C176-D180 WeakPolarHBondContact CA-OD2 3.4Å; C176-D180 HydrophobicContact CB-CB 4.33Å; C176-K202 VanDerWaalsContact SG-CB 3.55Å | ||
| 177 | C | 95.4 | Very high | 96.8 | Very high | 42 Ų | 42 | 27.8 Ų | 27.8 | 28% | 0.284 | 14% | 0.141 | S | C | . | . | trans | -116.6 | -176.5 | 172.1 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | E179 D180 A181 | C177-E179 VanDerWaalsContact C-N 3.3Å; C177-E179 WeakPolarHBondContact CB-OE2 3.43Å; C177-E179 PolarHBondContact O-N 3.25Å; C177-E179 PolarHBondContact SG-OE2 3.32Å; C177-D180 PolarHBondContact N-OD2 3.32Å; C177-D180 PolarHBondContact O-N 3.46Å; C177-D180 PolarHBondContact SG-OD2 2.92Å; C177-A181 PolarHBondContact O-N 3.19Å | ||
| 178 | L | 94.7 | Very high | 96.8 | Very high | 61 Ų | 61 | 27.8 Ų | 27.8 | 32% | 0.319 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.2 | -38.7 | -177.7 | -179.3 | 60.9 | 0 | 0 | 0 | 111.6 | D180 A181 E182 F321 | L178-D180 VanDerWaalsContact C-N 3.27Å; L178-D180 PolarHBondContact O-N 2.94Å; L178-A181 WeakPolarHBondContact O-CB 3.4Å; L178-A181 PolarHBondContact O-N 2.91Å; L178-A181 VanDerWaalsContact O-N 3.1Å; L178-E182 HydrophobicContact CG-CG 4.47Å; L178-E182 WeakPolarHBondContact O-CG 3.27Å; L178-E182 PolarHBondContact O-N 2.87Å; L178-F321 HydrophobicContact CD1-CD2 4.06Å |
| 179 | E | 96 | Very high | 96.4 | Very high | 123 Ų | 123 | 28.4 Ų | 28.4 | 58% | 0.575 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -62.2 | -35.8 | 179.3 | -62.2 | 76.5 | -172.4 | 0 | 0 | 111.8 | C177 L183 | C177-E179 VanDerWaalsContact C-N 3.3Å; C177-E179 WeakPolarHBondContact CB-OE2 3.43Å; C177-E179 PolarHBondContact O-N 3.25Å; C177-E179 PolarHBondContact SG-OE2 3.32Å; E179-L183 VanDerWaalsContact O-CB 3.3Å; E179-L183 WeakPolarHBondContact O-CB 3.36Å; E179-L183 PolarHBondContact O-N 2.67Å |
| 180 | D | 97.1 | Very high | 96.1 | Very high | 12 Ų | 12 | 31.3 Ų | 31.3 | 6% | 0.064 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.8 | -40.8 | 175.1 | -59.7 | -49.6 | 0 | 0 | 0 | 111.1 | C176 C177 L178 L183 A184 K202 Y211 | C176-D180 VanDerWaalsContact CA-OD2 3.22Å; C176-D180 WeakPolarHBondContact CA-OD2 3.4Å; C176-D180 HydrophobicContact CB-CB 4.33Å; C177-D180 PolarHBondContact N-OD2 3.32Å; C177-D180 PolarHBondContact O-N 3.46Å; C177-D180 PolarHBondContact SG-OD2 2.92Å; L178-D180 VanDerWaalsContact C-N 3.27Å; L178-D180 PolarHBondContact O-N 2.94Å; D180-L183 PolarHBondContact O-N 3.28Å; D180-A184 WeakPolarHBondContact O-CB 3.38Å; D180-A184 PolarHBondContact O-N 2.92Å; D180-K202 IonicContact OD1-NZ 3.63Å; D180-K202 IonicContact OD2-NZ 3.9Å; D180-K202 PolarHBondContact OD2-NZ 3.06Å; D180-Y211 HydrophobicContact CB-CE1 4Å; D180-Y211 PolarHBondContact OD1-OH 2.84Å |
| 181 | A | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L163 F172 C177 L178 A184 Q185 F321 | L163-A181 HydrophobicContact CD1-CB 3.99Å; F172-A181 HydrophobicContact CE1-CB 3.56Å; F172-A181 HydrophobicContact CZ-CB 3.69Å; C177-A181 PolarHBondContact O-N 3.19Å; L178-A181 WeakPolarHBondContact O-CB 3.4Å; L178-A181 PolarHBondContact O-N 2.91Å; L178-A181 VanDerWaalsContact O-N 3.1Å; A181-A184 PolarHBondContact O-N 2.74Å; A181-Q185 PolarHBondContact O-N 3.09Å; A181-F321 HydrophobicContact CB-CB 4Å; A181-F321 HydrophobicContact CB-CD2 3.55Å; A181-F321 HydrophobicContact CB-CE2 4.25Å; A181-F321 HydrophobicContact CB-CG 3.85Å |
| 182 | E | 96.3 | Very high | 95.3 | Very high | 81 Ų | 81 | 43.6 Ų | 43.6 | 38% | 0.379 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.5 | -72.5 | 177.2 | 171.5 | 0 | 0 | 112.1 | L178 Q185 R186 F321 | L178-E182 HydrophobicContact CG-CG 4.47Å; L178-E182 WeakPolarHBondContact O-CG 3.27Å; L178-E182 PolarHBondContact O-N 2.87Å; E182-Q185 PolarHBondContact O-N 3.46Å; E182-R186 PolarHBondContact O-N 3.14Å; E182-R186 PolarHBondContact O-NH1 3.14Å; E182-F321 HydrophobicContact CB-CE2 4.46Å; E182-F321 HydrophobicContact CG-CE2 3.78Å |
| 183 | L | 97.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 176.4 | 176 | 67.5 | 0 | 0 | 0 | 111.1 | E179 D180 Q185 R186 F187 Y211 F238 E239 K241 F243 | E179-L183 VanDerWaalsContact O-CB 3.3Å; E179-L183 WeakPolarHBondContact O-CB 3.36Å; E179-L183 PolarHBondContact O-N 2.67Å; D180-L183 PolarHBondContact O-N 3.28Å; L183-Q185 VanDerWaalsContact C-N 3.31Å; L183-Q185 PolarHBondContact O-N 3.37Å; L183-R186 PolarHBondContact O-N 3.25Å; L183-F187 PolarHBondContact O-N 3.27Å; L183-Y211 HydrophobicContact CD2-CD2 4.44Å; L183-Y211 HydrophobicContact CD2-CE2 3.67Å; L183-F238 HydrophobicContact CD1-CD1 4.01Å; L183-F238 HydrophobicContact CD1-CE1 4.03Å; L183-E239 HydrophobicContact CD1-CB 4.15Å; L183-E239 HydrophobicContact CD1-CG 4.41Å; L183-E239 VanDerWaalsContact CD1-OE2 3.31Å; L183-E239 WeakPolarHBondContact CD1-OE2 3.45Å; L183-K241 HydrophobicContact CD2-CB 4.5Å; L183-K241 HydrophobicContact CD2-CG 3.93Å; L183-F243 HydrophobicContact CD2-CE2 4.25Å; L183-F243 HydrophobicContact CD2-CZ 4.18Å; L183-F243 HydrophobicContact CG-CE2 4.25Å; L183-F243 HydrophobicContact CG-CZ 3.99Å |
| 184 | A | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D180 A181 F187 L188 L200 F243 | D180-A184 WeakPolarHBondContact O-CB 3.38Å; D180-A184 PolarHBondContact O-N 2.92Å; A181-A184 PolarHBondContact O-N 2.74Å; A184-F187 WeakPolarHBondContact O-CB 3.48Å; A184-F187 PolarHBondContact O-N 2.75Å; A184-L188 WeakPolarHBondContact O-CB 3.44Å; A184-L188 VanDerWaalsContact O-CG 3.25Å; A184-L188 WeakPolarHBondContact O-CG 3.47Å; A184-L188 PolarHBondContact O-N 3.18Å; A184-L200 HydrophobicContact CB-CD1 3.75Å; A184-L200 HydrophobicContact CB-CD2 3.47Å; A184-L200 VanDerWaalsContact CB-CD2 3.47Å; A184-L200 HydrophobicContact CB-CG 4.22Å; A184-F243 HydrophobicContact CB-CE1 4.24Å |
| 185 | Q | 96 | Very high | 94.8 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -45.6 | 176.1 | -170 | 62.8 | 51 | 0 | 0 | 111.5 | A181 E182 L183 F187 L188 D189 F321 S323 | A181-Q185 PolarHBondContact O-N 3.09Å; E182-Q185 PolarHBondContact O-N 3.46Å; L183-Q185 VanDerWaalsContact C-N 3.31Å; L183-Q185 PolarHBondContact O-N 3.37Å; Q185-F187 VanDerWaalsContact C-N 3.27Å; Q185-F187 PolarHBondContact O-N 3.11Å; Q185-L188 PolarHBondContact O-N 3.39Å; Q185-D189 PolarHBondContact NE2-OD1 2.94Å; Q185-D189 WeakPolarHBondContact O-CB 3.48Å; Q185-D189 VanDerWaalsContact O-CG 3.23Å; Q185-D189 PolarHBondContact O-N 3.44Å; Q185-F321 HydrophobicContact CB-CE1 3.63Å; Q185-F321 HydrophobicContact CB-CZ 3.67Å; Q185-F321 HydrophobicContact CG-CE1 3.67Å; Q185-F321 HydrophobicContact CG-CZ 3.94Å; Q185-S323 VanDerWaalsContact OE1-CB 3.3Å; Q185-S323 PolarHBondContact OE1-OG 3.11Å |
| 186 | R | 95.1 | Very high | 94.9 | Very high | 104 Ų | 104 | 43.4 Ų | 43.4 | 39% | 0.392 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.3 | -39.5 | 174.5 | -69.6 | -164.8 | -57.3 | -79.9 | 4.7 | 112.2 | E182 L183 S190 F238 E239 | E182-R186 PolarHBondContact O-N 3.14Å; E182-R186 PolarHBondContact O-NH1 3.14Å; L183-R186 PolarHBondContact O-N 3.25Å; R186-S190 WeakPolarHBondContact O-CB 3.32Å; R186-S190 PolarHBondContact O-N 2.9Å; R186-F238 HydrophobicContact CB-CE1 3.96Å; R186-F238 HydrophobicContact CB-CZ 3.99Å; R186-E239 IonicContact CZ-OE1 3.66Å; R186-E239 IonicContact CZ-OE2 3.68Å; R186-E239 IonicContact NE-OE1 2.81Å; R186-E239 PolarHBondContact NE-OE1 3.29Å; R186-E239 IonicContact NE-OE2 3.37Å; R186-E239 IonicContact NH2-OE1 3.16Å; R186-E239 IonicContact NH2-OE2 3.51Å; R186-E239 PolarHBondContact NH2-OE2 3.39Å |
| 187 | F | 96.4 | Very high | 95 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -51.8 | 173.9 | 168.3 | -103.5 | 0 | 0 | 0 | 111.2 | L183 A184 Q185 D189 S190 R191 V213 F236 F238 F243 V245 | L183-F187 PolarHBondContact O-N 3.27Å; A184-F187 WeakPolarHBondContact O-CB 3.48Å; A184-F187 PolarHBondContact O-N 2.75Å; Q185-F187 VanDerWaalsContact C-N 3.27Å; Q185-F187 PolarHBondContact O-N 3.11Å; F187-D189 PolarHBondContact O-N 2.92Å; F187-S190 PolarHBondContact O-N 3.43Å; F187-S190 PolarHBondContact O-OG 2.92Å; F187-R191 HydrophobicContact CD2-CG 4.18Å; F187-R191 HydrophobicContact CE1-CG 4.42Å; F187-R191 HydrophobicContact CE2-CG 3.74Å; F187-R191 HydrophobicContact CZ-CG 3.88Å; F187-R191 WeakPolarHBondContact O-CG 3.38Å; F187-R191 PolarHBondContact O-N 2.7Å; F187-R191 VanDerWaalsContact O-N 3.14Å; F187-V213 HydrophobicContact CD1-CG2 4.25Å; F187-V213 HydrophobicContact CE1-CG2 4.1Å; F187-F236 HydrophobicContact CE2-CB 3.84Å; F187-F236 HydrophobicContact CE2-CD2 4.28Å; F187-F236 HydrophobicContact CE2-CG 4.12Å; F187-F236 HydrophobicContact CZ-CB 4.24Å; F187-F236 AromaticContact CZ-CD2 3.84Å; F187-F236 HydrophobicContact CZ-CD2 3.84Å; F187-F236 HydrophobicContact CZ-CG 4.15Å; F187-F238 HydrophobicContact CB-CD1 3.79Å; F187-F238 HydrophobicContact CB-CE1 4.06Å; F187-F238 HydrophobicContact CB-CG 4.16Å; F187-F238 HydrophobicContact CD2-CB 3.74Å; F187-F238 HydrophobicContact CD2-CD1 4.35Å; F187-F238 HydrophobicContact CD2-CD2 4.27Å; F187-F238 AromaticContact CD2-CG 3.87Å; F187-F238 HydrophobicContact CD2-CG 3.87Å; F187-F238 HydrophobicContact CE2-CB 4.44Å; F187-F243 HydrophobicContact CB-CD1 4.24Å; F187-F243 HydrophobicContact CB-CE1 3.92Å; F187-F243 HydrophobicContact CB-CE2 4.29Å; F187-F243 HydrophobicContact CB-CZ 3.95Å; F187-F243 HydrophobicContact CD1-CB 4.44Å; F187-F243 AromaticContact CD1-CD1 3.39Å; F187-F243 HydrophobicContact CD1-CD1 3.39Å; F187-F243 AromaticContact CD1-CE1 3.75Å; F187-F243 HydrophobicContact CD1-CE1 3.75Å; F187-F243 AromaticContact CD1-CG 3.96Å; F187-F243 HydrophobicContact CD1-CG 3.96Å; F187-F243 HydrophobicContact CD2-CB 4.19Å; F187-F243 HydrophobicContact CD2-CD1 4.16Å; F187-F243 HydrophobicContact CD2-CD2 4.14Å; F187-F243 AromaticContact CD2-CG 3.9Å; F187-F243 HydrophobicContact CD2-CG 3.9Å; F187-F243 HydrophobicContact CE1-CB 4.05Å; F187-F243 AromaticContact CE1-CD1 3.68Å; F187-F243 HydrophobicContact CE1-CD1 3.68Å; F187-F243 HydrophobicContact CE1-CE1 4.47Å; F187-F243 HydrophobicContact CE1-CG 4.07Å; F187-F243 HydrophobicContact CE2-CB 3.77Å; F187-F243 HydrophobicContact CE2-CD1 4.4Å; F187-F243 HydrophobicContact CE2-CG 4Å; F187-F243 HydrophobicContact CG-CB 4.49Å; F187-F243 AromaticContact CG-CD1 3.64Å; F187-F243 HydrophobicContact CG-CD1 3.64Å; F187-F243 HydrophobicContact CG-CD2 4.24Å; F187-F243 AromaticContact CG-CE1 3.84Å; F187-F243 HydrophobicContact CG-CE1 3.84Å; F187-F243 HydrophobicContact CG-CE2 4.4Å; F187-F243 AromaticContact CG-CG 3.86Å; F187-F243 HydrophobicContact CG-CG 3.86Å; F187-F243 HydrophobicContact CG-CZ 4.21Å; F187-F243 HydrophobicContact CZ-CB 3.7Å; F187-F243 HydrophobicContact CZ-CD1 4.18Å; F187-F243 HydrophobicContact CZ-CG 4.09Å; F187-V245 HydrophobicContact CE1-CG2 3.79Å; F187-V245 HydrophobicContact CZ-CG2 3.79Å |
| 188 | L | 94.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.4 | -47.6 | 178.8 | -73.9 | 176.5 | 0 | 0 | 0 | 111.8 | A184 Q185 S190 R191 K192 L193 A195 V213 | A184-L188 WeakPolarHBondContact O-CB 3.44Å; A184-L188 VanDerWaalsContact O-CG 3.25Å; A184-L188 WeakPolarHBondContact O-CG 3.47Å; A184-L188 PolarHBondContact O-N 3.18Å; Q185-L188 PolarHBondContact O-N 3.39Å; L188-S190 VanDerWaalsContact C-N 3.35Å; L188-S190 PolarHBondContact O-N 2.85Å; L188-R191 CarbonylContact O-C 3.6Å; L188-R191 PolarHBondContact O-N 2.75Å; L188-R191 VanDerWaalsContact O-N 3.08Å; L188-K192 PolarHBondContact O-N 3.43Å; L188-L193 WeakPolarHBondContact CB-O 3.42Å; L188-L193 HydrophobicContact CD2-CB 3.98Å; L188-L193 HydrophobicContact CD2-CD2 3.7Å; L188-L193 HydrophobicContact CD2-CG 3.91Å; L188-L193 PolarHBondContact O-N 2.89Å; L188-A195 HydrophobicContact CD1-CB 3.75Å; L188-V213 HydrophobicContact CD2-CG1 3.98Å |
| 189 | D | 90.1 | Very high | 95.3 | Very high | 34 Ų | 34 | 39.2 Ų | 39.2 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 177.8 | -67.1 | -6.9 | 0 | 0 | 0 | 111 | Q185 F187 R191 K192 S491 | Q185-D189 PolarHBondContact NE2-OD1 2.94Å; Q185-D189 WeakPolarHBondContact O-CB 3.48Å; Q185-D189 VanDerWaalsContact O-CG 3.23Å; Q185-D189 PolarHBondContact O-N 3.44Å; F187-D189 PolarHBondContact O-N 2.92Å; D189-R191 PolarHBondContact O-N 3.22Å; D189-K192 PolarHBondContact O-N 3.15Å; D189-S491 PolarHBondContact O-OG 2.67Å |
| 190 | S | 91.2 | Very high | 95.4 | Very high | 69 Ų | 69 | 33.4 Ų | 33.4 | 48% | 0.483 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.4 | -24.8 | 178 | 82.1 | 0 | 0 | 0 | 0 | 113.7 | R186 F187 L188 | R186-S190 WeakPolarHBondContact O-CB 3.32Å; R186-S190 PolarHBondContact O-N 2.9Å; F187-S190 PolarHBondContact O-N 3.43Å; F187-S190 PolarHBondContact O-OG 2.92Å; L188-S190 VanDerWaalsContact C-N 3.35Å; L188-S190 PolarHBondContact O-N 2.85Å |
| 191 | R | 90.9 | Very high | 95.5 | Very high | 124 Ų | 124 | 32.8 Ų | 32.8 | 47% | 0.468 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -2 | 178.1 | -61.2 | -59.4 | -63.1 | 174.9 | 1.3 | 112.9 | F187 L188 D189 L193 F236 | F187-R191 HydrophobicContact CD2-CG 4.18Å; F187-R191 HydrophobicContact CE1-CG 4.42Å; F187-R191 HydrophobicContact CE2-CG 3.74Å; F187-R191 HydrophobicContact CZ-CG 3.88Å; F187-R191 WeakPolarHBondContact O-CG 3.38Å; F187-R191 PolarHBondContact O-N 2.7Å; F187-R191 VanDerWaalsContact O-N 3.14Å; L188-R191 CarbonylContact O-C 3.6Å; L188-R191 PolarHBondContact O-N 2.75Å; L188-R191 VanDerWaalsContact O-N 3.08Å; D189-R191 PolarHBondContact O-N 3.22Å; R191-L193 HydrophobicContact CB-CB 4.28Å; R191-L193 PolarHBondContact O-N 3.45Å; R191-F236 VanDerWaalsContact CZ-CE1 3.42Å |
| 192 | K | 89.7 | Confident | 95.5 | Very high | 137 Ų | 137 | 34.6 Ų | 34.6 | 60% | 0.596 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 37.8 | -171.5 | -55.4 | -178.6 | 175.6 | -171.4 | 0 | 111.9 | L188 D189 D464 | L188-K192 PolarHBondContact O-N 3.43Å; D189-K192 PolarHBondContact O-N 3.15Å; K192-D464 IonicContact NZ-OD2 2.84Å; K192-D464 PolarHBondContact NZ-OD2 3.35Å |
| 193 | L | 91.3 | Very high | 95.3 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | trans | -104.8 | 120 | 179.9 | -174.7 | 62.2 | 0 | 0 | 0 | 108.8 | L188 R191 L215 V245 | L188-L193 WeakPolarHBondContact CB-O 3.42Å; L188-L193 HydrophobicContact CD2-CB 3.98Å; L188-L193 HydrophobicContact CD2-CD2 3.7Å; L188-L193 HydrophobicContact CD2-CG 3.91Å; L188-L193 PolarHBondContact O-N 2.89Å; R191-L193 HydrophobicContact CB-CB 4.28Å; R191-L193 PolarHBondContact O-N 3.45Å; L193-L215 HydrophobicContact CD1-CD2 4.27Å; L193-V245 HydrophobicContact CD2-CG1 4.14Å | ||
| 194 | S | 93.9 | Very high | 94.7 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 26% | 0.259 | 20% | 0.2 | S | C | . | . | trans | -67.9 | 144.5 | 177.8 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | Y196 T198 | S194-Y196 VanDerWaalsContact OG-CD2 3.28Å; S194-Y196 WeakPolarHBondContact OG-CD2 3.13Å; S194-Y196 PolarHBondContact OG-N 2.83Å; S194-T198 WeakPolarHBondContact O-CG2 3.49Å | ||
| 195 | A | 96.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -80.7 | -17.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L188 N197 T198 S323 R324 | L188-A195 HydrophobicContact CD1-CB 3.75Å; A195-N197 PolarHBondContact O-N 2.78Å; A195-N197 VanDerWaalsContact O-N 3.17Å; A195-T198 PolarHBondContact O-N 2.86Å; A195-T198 PolarHBondContact O-OG1 2.91Å; A195-S323 WeakPolarHBondContact CB-O 3.45Å; A195-S323 WeakPolarHBondContact CB-OG 3.43Å; A195-R324 HydrophobicContact CB-CG 4.36Å; A195-R324 WeakPolarHBondContact O-CG 3.44Å |
| 196 | Y | 98 | Very high | 92.8 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 9% | 0.086 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -46.8 | -167.3 | -83 | -63.9 | 0 | 0 | 0 | 114 | S194 F313 I314 G325 Y394 D495 | S194-Y196 VanDerWaalsContact OG-CD2 3.28Å; S194-Y196 WeakPolarHBondContact OG-CD2 3.13Å; S194-Y196 PolarHBondContact OG-N 2.83Å; Y196-F313 WeakPolarHBondContact O-CB 3.4Å; Y196-I314 WeakPolarHBondContact CE1-O 3.03Å; Y196-G325 WeakPolarHBondContact O-CA 3.49Å; Y196-G325 PolarHBondContact O-N 2.9Å; Y196-Y394 AromaticContact CD2-CE1 3.85Å; Y196-Y394 HydrophobicContact CD2-CE1 3.85Å; Y196-Y394 HydrophobicContact CE2-CD1 4.24Å; Y196-Y394 AromaticContact CE2-CE1 3.9Å; Y196-Y394 HydrophobicContact CE2-CE1 3.9Å; Y196-D495 PolarHBondContact OH-OD2 2.83Å; Y196-D495 VanDerWaalsContact OH-OD2 3.11Å |
| 197 | N | 98.4 | Very high | 92 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 30.6 | -178.4 | 70.5 | -26.8 | 0 | 0 | 0 | 113.4 | A195 L215 A216 G287 I289 F313 | A195-N197 PolarHBondContact O-N 2.78Å; A195-N197 VanDerWaalsContact O-N 3.17Å; N197-L215 WeakPolarHBondContact O-CA 3.17Å; N197-A216 HydrophobicContact CB-CB 4.39Å; N197-A216 PolarHBondContact O-N 3.35Å; N197-G287 VanDerWaalsContact ND2-C 3.33Å; N197-G287 PolarHBondContact ND2-O 3.19Å; N197-I289 HydrophobicContact CB-CD1 3.87Å; N197-I289 HydrophobicContact CB-CG1 4.43Å; N197-I289 WeakPolarHBondContact OD1-CG1 3.13Å; N197-F313 HydrophobicContact CB-CB 4.43Å; N197-F313 HydrophobicContact CB-CD2 3.6Å; N197-F313 HydrophobicContact CB-CE2 4.03Å; N197-F313 HydrophobicContact CB-CG 4.04Å |
| 198 | T | 98.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 153.4 | -174.2 | 75.1 | 0 | 0 | 0 | 0 | 114.1 | S194 A195 V213 R214 L215 R324 | S194-T198 WeakPolarHBondContact O-CG2 3.49Å; A195-T198 PolarHBondContact O-N 2.86Å; A195-T198 PolarHBondContact O-OG1 2.91Å; T198-V213 HydrophobicContact CG2-CG1 4.16Å; T198-R214 CarbonylContact C-O 2.97Å; T198-R214 VanDerWaalsContact CA-O 3.25Å; T198-R214 WeakPolarHBondContact CA-O 3.35Å; T198-L215 HydrophobicContact CG2-CG 4.38Å; T198-R324 VanDerWaalsContact O-CD 3.27Å; T198-R324 WeakPolarHBondContact O-CD 3.38Å; T198-R324 VanDerWaalsContact O-CG 3.29Å; T198-R324 WeakPolarHBondContact O-CG 3.46Å |
| 199 | R | 98.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 58.6 Ų | 58.6 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 158.8 | 162.7 | -68.8 | -160.9 | -72.4 | 167.8 | -0.5 | 111.1 | T170 Y171 F201 V213 R214 D249 Y250 D736 | T170-R199 WeakPolarHBondContact O-CD 3.47Å; T170-R199 PolarHBondContact O-NH1 2.9Å; Y171-R199 WeakPolarHBondContact O-CA 3.39Å; Y171-R199 WeakPolarHBondContact O-CB 3.42Å; R199-F201 HydrophobicContact CB-CE2 3.86Å; R199-F201 HydrophobicContact CB-CZ 4.05Å; R199-V213 WeakPolarHBondContact O-CA 3Å; R199-R214 PolarHBondContact N-O 3.17Å; R199-R214 PolarHBondContact O-N 2.96Å; R199-D249 IonicContact CZ-OD1 2.68Å; R199-D249 IonicContact CZ-OD2 3.24Å; R199-D249 IonicContact NE-OD1 3.22Å; R199-D249 IonicContact NE-OD2 2.67Å; R199-D249 PolarHBondContact NE-OD2 3.48Å; R199-D249 IonicContact NH2-OD1 3.94Å; R199-D249 PolarHBondContact NH2-OD1 2.75Å; R199-D249 IonicContact NH2-OD2 3.58Å; R199-D249 PolarHBondContact NH2-OD2 2.76Å; R199-Y250 WeakPolarHBondContact CD-OH 3.3Å; R199-Y250 PolarHBondContact NE-OH 3.26Å; R199-D736 IonicContact CZ-OD2 2.84Å; R199-D736 IonicContact NH1-OD2 2.79Å; R199-D736 IonicContact NH2-OD2 3.5Å; R199-D736 PolarHBondContact NH2-OD2 3.28Å |
| 200 | L | 98.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 121.7 | 179.9 | -174.3 | 74.1 | 0 | 0 | 0 | 112.1 | Y171 F172 S173 A184 Y211 E212 V213 | Y171-L200 PolarHBondContact O-N 3.27Å; F172-L200 CarbonylContact C-O 3.47Å; F172-L200 WeakPolarHBondContact CA-O 3.31Å; F172-L200 HydrophobicContact CD1-CB 3.71Å; F172-L200 HydrophobicContact CD1-CD2 3.74Å; F172-L200 HydrophobicContact CD1-CG 4.26Å; F172-L200 HydrophobicContact CE1-CB 4.01Å; F172-L200 HydrophobicContact CE1-CD2 3.82Å; S173-L200 PolarHBondContact N-O 3.03Å; A184-L200 HydrophobicContact CB-CD1 3.75Å; A184-L200 HydrophobicContact CB-CD2 3.47Å; A184-L200 VanDerWaalsContact CB-CD2 3.47Å; A184-L200 HydrophobicContact CB-CG 4.22Å; L200-Y211 HydrophobicContact CD1-CD1 4.3Å; L200-Y211 HydrophobicContact CD2-CD1 4.31Å; L200-Y211 HydrophobicContact CG-CD1 4.46Å; L200-E212 CarbonylContact C-O 3.56Å; L200-E212 WeakPolarHBondContact CA-O 3.35Å; L200-V213 HydrophobicContact CD1-CG2 3.9Å |
| 201 | F | 98.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.3 | 175.1 | -52.3 | -87.4 | 0 | 0 | 0 | 111 | R199 Y211 E212 R214 Y739 W740 | R199-F201 HydrophobicContact CB-CE2 3.86Å; R199-F201 HydrophobicContact CB-CZ 4.05Å; F201-Y211 CarbonylContact O-C 3.51Å; F201-Y211 WeakPolarHBondContact O-CA 3.49Å; F201-E212 HydrophobicContact CB-CB 4.24Å; F201-E212 HydrophobicContact CD2-CG 4.44Å; F201-E212 PolarHBondContact N-O 3.06Å; F201-E212 PolarHBondContact O-N 2.96Å; F201-R214 HydrophobicContact CD2-CB 4.32Å; F201-R214 HydrophobicContact CE2-CB 3.87Å; F201-R214 VanDerWaalsContact CE2-CZ 3.45Å; F201-Y739 HydrophobicContact CB-CD1 4.13Å; F201-Y739 HydrophobicContact CB-CE1 3.59Å; F201-Y739 HydrophobicContact CB-CE2 4.32Å; F201-Y739 AromaticContact CD1-CD1 3.87Å; F201-Y739 HydrophobicContact CD1-CD1 3.87Å; F201-Y739 AromaticContact CD1-CD2 3.34Å; F201-Y739 HydrophobicContact CD1-CD2 3.34Å; F201-Y739 AromaticContact CD1-CE1 3.89Å; F201-Y739 HydrophobicContact CD1-CE1 3.89Å; F201-Y739 AromaticContact CD1-CE2 3.33Å; F201-Y739 HydrophobicContact CD1-CE2 3.33Å; F201-Y739 AromaticContact CD1-CG 3.57Å; F201-Y739 HydrophobicContact CD1-CG 3.57Å; F201-Y739 AromaticContact CD1-CZ 3.56Å; F201-Y739 AromaticContact CE1-CD2 3.53Å; F201-Y739 HydrophobicContact CE1-CD2 3.53Å; F201-Y739 AromaticContact CE1-CE2 3.63Å; F201-Y739 HydrophobicContact CE1-CE2 3.63Å; F201-Y739 HydrophobicContact CE1-CG 4.13Å; F201-Y739 HydrophobicContact CG-CD1 4.4Å; F201-Y739 HydrophobicContact CG-CD2 4.25Å; F201-Y739 HydrophobicContact CG-CE1 4.01Å; F201-Y739 AromaticContact CG-CE2 3.82Å; F201-Y739 HydrophobicContact CG-CE2 3.82Å; F201-Y739 HydrophobicContact CG-CG 4.48Å; F201-Y739 AromaticContact CG-CZ 3.62Å; F201-Y739 HydrophobicContact CZ-CE2 4.33Å; F201-W740 AromaticContact CE1-CH2 3.99Å; F201-W740 HydrophobicContact CE1-CH2 3.99Å; F201-W740 HydrophobicContact CE1-CZ2 4.24Å |
| 202 | K | 96.8 | Very high | 92.1 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 16% | 0.161 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 121.8 | 174.6 | -177.4 | 173.8 | 65.5 | -177.9 | 0 | 110.2 | S173 N175 C176 D180 P209 Y211 | S173-K202 PolarHBondContact OG-N 2.92Å; N175-K202 PolarHBondContact ND2-O 2.91Å; N175-K202 WeakPolarHBondContact O-CE 3.32Å; N175-K202 PolarHBondContact O-NZ 3.03Å; N175-K202 PolarHBondContact OD1-O 3.32Å; C176-K202 VanDerWaalsContact SG-CB 3.55Å; D180-K202 IonicContact OD1-NZ 3.63Å; D180-K202 IonicContact OD2-NZ 3.9Å; D180-K202 PolarHBondContact OD2-NZ 3.06Å; K202-P209 HydrophobicContact CD-CB 4.34Å; K202-P209 HydrophobicContact CG-CB 4.41Å; K202-Y211 HydrophobicContact CB-CD1 4.17Å; K202-Y211 HydrophobicContact CB-CE1 4.13Å; K202-Y211 HydrophobicContact CD-CE1 3.77Å; K202-Y211 HydrophobicContact CG-CD1 4.28Å; K202-Y211 HydrophobicContact CG-CE1 3.9Å |
| 203 | R | 92.2 | Very high | 92.5 | Very high | 118 Ų | 118 | 42.6 Ų | 42.6 | 45% | 0.445 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 160.5 | 173.6 | -63.7 | 177.3 | 177.1 | -120.3 | 5.3 | 109.7 | C210 Y739 | R203-C210 PolarHBondContact N-O 3.48Å; R203-C210 PolarHBondContact O-N 3.36Å; R203-Y739 HydrophobicContact CG-CE1 3.98Å; R203-Y739 VanDerWaalsContact CZ-OH 3.24Å; R203-Y739 PolarHBondContact NE-OH 2.82Å; R203-Y739 PolarHBondContact NH2-OH 2.87Å |
| 204 | E | 86.1 | Confident | 92.8 | Very high | 166 Ų | 166 | 42.5 Ų | 42.5 | 78% | 0.776 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.6 | 168 | -67.6 | -168.9 | 165.2 | 0 | 0 | 110.3 | ||
| 205 | N | 79.1 | Confident | 93 | Very high | 100 Ų | 100 | 40.9 Ų | 40.9 | 54% | 0.535 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 112.8 | 173.5 | -172.5 | 10.8 | 0 | 0 | 0 | 108.9 | G207 K208 C210 E242 | N205-G207 VanDerWaalsContact C-N 3.25Å; N205-G207 PolarHBondContact O-N 3.27Å; N205-K208 PolarHBondContact N-O 3.12Å; N205-K208 PolarHBondContact O-N 2.97Å; N205-C210 HydrophobicContact CB-CB 4.13Å; N205-E242 PolarHBondContact ND2-OE2 2.89Å |
| 206 | G | 74.5 | Confident | 93.1 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 83% | 0.825 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 32.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K208 | G206-K208 VanDerWaalsContact C-N 3.29Å; G206-K208 PolarHBondContact O-N 3.24Å |
| 207 | G | 77.8 | Confident | 93.1 | Very high | 68 Ų | 68 | 39.6 Ų | 39.6 | 70% | 0.701 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | 8.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N205 | N205-G207 VanDerWaalsContact C-N 3.25Å; N205-G207 PolarHBondContact O-N 3.27Å |
| 208 | K | 85 | Confident | 93.1 | Very high | 149 Ų | 149 | 39.8 Ų | 39.8 | 65% | 0.648 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 143.9 | 173.4 | -64.2 | -176.3 | -179 | -177.1 | 0 | 110.4 | N205 G206 | N205-K208 PolarHBondContact N-O 3.12Å; N205-K208 PolarHBondContact O-N 2.97Å; G206-K208 VanDerWaalsContact C-N 3.29Å; G206-K208 PolarHBondContact O-N 3.24Å |
| 209 | P | 89.2 | Confident | 92.8 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 24% | 0.24 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 135.2 | 174.5 | 27.6 | -31.7 | 0 | 0 | 0 | 110.4 | K202 Y211 K241 | K202-P209 HydrophobicContact CD-CB 4.34Å; K202-P209 HydrophobicContact CG-CB 4.41Å; P209-Y211 HydrophobicContact CB-CE2 4.25Å; P209-K241 HydrophobicContact CG-CD 4.03Å |
| 210 | C | 95.2 | Very high | 92.4 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.4 | 175 | 178 | 0 | 0 | 0 | 0 | 107.9 | R203 N205 E242 | R203-C210 PolarHBondContact N-O 3.48Å; R203-C210 PolarHBondContact O-N 3.36Å; N205-C210 HydrophobicContact CB-CB 4.13Å; C210-E242 HydrophobicContact CB-CB 4.4Å; C210-E242 PolarHBondContact SG-OE2 2.98Å |
| 211 | Y | 98 | Very high | 91.7 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.2 | -175.1 | -61.5 | -82.7 | 0 | 0 | 0 | 110.7 | D180 L183 L200 F201 K202 P209 K241 E242 F243 I244 | D180-Y211 HydrophobicContact CB-CE1 4Å; D180-Y211 PolarHBondContact OD1-OH 2.84Å; L183-Y211 HydrophobicContact CD2-CD2 4.44Å; L183-Y211 HydrophobicContact CD2-CE2 3.67Å; L200-Y211 HydrophobicContact CD1-CD1 4.3Å; L200-Y211 HydrophobicContact CD2-CD1 4.31Å; L200-Y211 HydrophobicContact CG-CD1 4.46Å; F201-Y211 CarbonylContact O-C 3.51Å; F201-Y211 WeakPolarHBondContact O-CA 3.49Å; K202-Y211 HydrophobicContact CB-CD1 4.17Å; K202-Y211 HydrophobicContact CB-CE1 4.13Å; K202-Y211 HydrophobicContact CD-CE1 3.77Å; K202-Y211 HydrophobicContact CG-CD1 4.28Å; K202-Y211 HydrophobicContact CG-CE1 3.9Å; P209-Y211 HydrophobicContact CB-CE2 4.25Å; Y211-K241 HydrophobicContact CD2-CB 4.24Å; Y211-K241 HydrophobicContact CE2-CB 4.01Å; Y211-K241 HydrophobicContact CE2-CG 4.12Å; Y211-E242 PolarHBondContact N-O 3.37Å; Y211-F243 HydrophobicContact CD2-CD2 4.28Å; Y211-F243 HydrophobicContact CD2-CE1 4.16Å; Y211-F243 AromaticContact CD2-CE2 3.75Å; Y211-F243 HydrophobicContact CD2-CE2 3.75Å; Y211-F243 AromaticContact CD2-CZ 3.67Å; Y211-F243 HydrophobicContact CD2-CZ 3.67Å; Y211-F243 HydrophobicContact CE2-CE2 4.39Å; Y211-F243 HydrophobicContact CE2-CZ 4.35Å; Y211-F243 HydrophobicContact CG-CD1 4.44Å; Y211-F243 AromaticContact CG-CE1 3.93Å; Y211-F243 HydrophobicContact CG-CE1 3.93Å; Y211-F243 HydrophobicContact CG-CE2 4.36Å; Y211-F243 AromaticContact CG-CZ 3.87Å; Y211-F243 HydrophobicContact CG-CZ 3.87Å; Y211-F243 CarbonylContact O-C 3.39Å; Y211-F243 WeakPolarHBondContact O-CA 3.27Å; Y211-I244 PolarHBondContact O-N 3.04Å |
| 212 | E | 97.7 | Very high | 90.7 | Very high | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115.8 | 169.6 | 179.1 | 178 | 123.3 | 0 | 0 | 109.2 | L200 F201 R214 I244 K246 | L200-E212 CarbonylContact C-O 3.56Å; L200-E212 WeakPolarHBondContact CA-O 3.35Å; F201-E212 HydrophobicContact CB-CB 4.24Å; F201-E212 HydrophobicContact CD2-CG 4.44Å; F201-E212 PolarHBondContact N-O 3.06Å; F201-E212 PolarHBondContact O-N 2.96Å; E212-R214 IonicContact OE1-CZ 3.78Å; E212-R214 VanDerWaalsContact OE1-CZ 3.29Å; E212-R214 IonicContact OE1-NE 3.38Å; E212-R214 PolarHBondContact OE1-NE 3.25Å; E212-R214 IonicContact OE1-NH2 2.74Å; E212-R214 PolarHBondContact OE1-NH2 2.83Å; E212-I244 CarbonylContact C-O 3.52Å; E212-I244 VanDerWaalsContact CA-O 3.29Å; E212-I244 WeakPolarHBondContact CA-O 3.48Å; E212-K246 HydrophobicContact CG-CD 4.35Å; E212-K246 IonicContact OE2-NZ 3.22Å; E212-K246 PolarHBondContact OE2-NZ 3.29Å |
| 213 | V | 98.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 116.4 | 165.7 | 176.1 | 0 | 0 | 0 | 0 | 107.1 | F187 L188 T198 R199 L200 F243 I244 V245 K246 | F187-V213 HydrophobicContact CD1-CG2 4.25Å; F187-V213 HydrophobicContact CE1-CG2 4.1Å; L188-V213 HydrophobicContact CD2-CG1 3.98Å; T198-V213 HydrophobicContact CG2-CG1 4.16Å; R199-V213 WeakPolarHBondContact O-CA 3Å; L200-V213 HydrophobicContact CD1-CG2 3.9Å; V213-F243 HydrophobicContact CG2-CD1 4.17Å; V213-I244 PolarHBondContact N-O 3.42Å; V213-V245 HydrophobicContact CB-CG2 4.3Å; V213-V245 WeakPolarHBondContact O-CA 3.29Å; V213-K246 PolarHBondContact O-N 3.26Å |
| 214 | R | 98 | Very high | 88.6 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 11% | 0.106 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.2 | -177.9 | -161.9 | -172.2 | -67.2 | 170.9 | -1.3 | 110.8 | T198 R199 F201 E212 K246 D249 D736 Y739 | T198-R214 CarbonylContact C-O 2.97Å; T198-R214 VanDerWaalsContact CA-O 3.25Å; T198-R214 WeakPolarHBondContact CA-O 3.35Å; R199-R214 PolarHBondContact N-O 3.17Å; R199-R214 PolarHBondContact O-N 2.96Å; F201-R214 HydrophobicContact CD2-CB 4.32Å; F201-R214 HydrophobicContact CE2-CB 3.87Å; F201-R214 VanDerWaalsContact CE2-CZ 3.45Å; E212-R214 IonicContact OE1-CZ 3.78Å; E212-R214 VanDerWaalsContact OE1-CZ 3.29Å; E212-R214 IonicContact OE1-NE 3.38Å; E212-R214 PolarHBondContact OE1-NE 3.25Å; E212-R214 IonicContact OE1-NH2 2.74Å; E212-R214 PolarHBondContact OE1-NH2 2.83Å; R214-K246 CarbonylContact C-O 3.54Å; R214-K246 WeakPolarHBondContact CA-O 3.33Å; R214-D249 VanDerWaalsContact CD-CG 3.45Å; R214-D249 WeakPolarHBondContact CD-OD1 3.36Å; R214-D249 HydrophobicContact CG-CB 3.89Å; R214-D249 IonicContact NH1-OD1 3.21Å; R214-D249 PolarHBondContact NH1-OD1 2.94Å; R214-D736 IonicContact CZ-OD1 3.64Å; R214-D736 VanDerWaalsContact NH1-CG 3.27Å; R214-D736 IonicContact NH1-OD1 3.17Å; R214-D736 PolarHBondContact NH1-OD1 2.8Å; R214-D736 IonicContact NH1-OD2 3.29Å; R214-D736 PolarHBondContact NH1-OD2 3.4Å; R214-D736 IonicContact NH2-OD1 3.27Å; R214-D736 PolarHBondContact NH2-OD1 3.11Å; R214-Y739 PolarHBondContact NH2-OH 3.18Å |
| 215 | L | 98 | Very high | 87.9 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 136.8 | 176.3 | -64.2 | 79.8 | 0 | 0 | 0 | 110.2 | L193 N197 T198 S217 V245 K246 R247 G248 D249 G287 | L193-L215 HydrophobicContact CD1-CD2 4.27Å; N197-L215 WeakPolarHBondContact O-CA 3.17Å; T198-L215 HydrophobicContact CG2-CG 4.38Å; L215-S217 PolarHBondContact O-N 2.85Å; L215-V245 HydrophobicContact CD1-CG1 3.3Å; L215-K246 WeakPolarHBondContact CD1-O 3.46Å; L215-K246 PolarHBondContact N-O 3.21Å; L215-R247 HydrophobicContact CB-CB 4.11Å; L215-R247 CarbonylContact O-C 3.58Å; L215-R247 WeakPolarHBondContact O-CA 3.46Å; L215-G248 PolarHBondContact O-N 3.25Å; L215-G248 VanDerWaalsContact O-N 3.13Å; L215-D249 WeakPolarHBondContact O-CB 3.33Å; L215-D249 PolarHBondContact O-N 2.73Å; L215-G287 WeakPolarHBondContact CD2-O 3.42Å |
| 216 | A | 98.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 122.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N197 D249 Y250 G287 F313 | N197-A216 HydrophobicContact CB-CB 4.39Å; N197-A216 PolarHBondContact O-N 3.35Å; A216-D249 WeakPolarHBondContact CA-O 3.48Å; A216-D249 HydrophobicContact CB-CB 4.25Å; A216-Y250 HydrophobicContact CB-CD2 3.7Å; A216-Y250 HydrophobicContact CB-CE2 3.98Å; A216-G287 WeakPolarHBondContact O-CA 3.34Å; A216-F313 HydrophobicContact CB-CE1 4.26Å; A216-F313 HydrophobicContact CB-CE2 3.58Å; A216-F313 HydrophobicContact CB-CZ 3.35Å |
| 217 | S | 98.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -166 | 151.7 | 179.5 | 62.3 | 0 | 0 | 0 | 0 | 112.9 | L215 V219 R247 G248 D249 S251 F284 | L215-S217 PolarHBondContact O-N 2.85Å; S217-V219 PolarHBondContact OG-O 3.17Å; S217-R247 WeakPolarHBondContact OG-CB 3.34Å; S217-G248 CarbonylContact O-C 3.58Å; S217-G248 WeakPolarHBondContact O-CA 3.25Å; S217-G248 WeakPolarHBondContact OG-CA 3.23Å; S217-G248 PolarHBondContact OG-N 2.93Å; S217-D249 PolarHBondContact N-O 3.1Å; S217-D249 VanDerWaalsContact N-O 3.09Å; S217-S251 VanDerWaalsContact O-CA 3.22Å; S217-S251 WeakPolarHBondContact O-CA 3.24Å; S217-S251 WeakPolarHBondContact O-CB 3.27Å; S217-F284 CarbonylContact C-O 3.59Å; S217-F284 VanDerWaalsContact CA-O 3.23Å; S217-F284 WeakPolarHBondContact CA-O 3.31Å | ||
| 218 | A | 97.5 | Very high | 86.5 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -65.3 | -45.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q220 S251 M254 E255 F284 E285 | A218-Q220 PolarHBondContact O-N 3.5Å; A218-S251 WeakPolarHBondContact O-CB 3.43Å; A218-S251 PolarHBondContact O-OG 3Å; A218-M254 HydrophobicContact CB-CB 3.99Å; A218-E255 HydrophobicContact CB-CG 3.7Å; A218-F284 PolarHBondContact N-O 3.26Å; A218-E285 PolarHBondContact N-O 3.05Å |
| 219 | V | 94.3 | Very high | 85.3 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | trans | -72.1 | 129.7 | 176.7 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | S217 K221 R247 G248 E285 F286 | S217-V219 PolarHBondContact OG-O 3.17Å; V219-K221 VanDerWaalsContact CG1-O 3.26Å; V219-K221 WeakPolarHBondContact CG1-O 2.97Å; V219-R247 WeakPolarHBondContact O-CG 2.95Å; V219-G248 PolarHBondContact O-N 2.92Å; V219-E285 WeakPolarHBondContact CB-O 3.5Å; V219-E285 HydrophobicContact CG2-CG 3.96Å; V219-E285 WeakPolarHBondContact CG2-O 3.28Å; V219-E285 PolarHBondContact N-O 3.36Å; V219-F286 HydrophobicContact CG2-CD1 4.22Å; V219-F286 HydrophobicContact CG2-CE1 4.12Å | ||
| 220 | Q | 88.8 | Confident | 84.2 | Confident | 128 Ų | 128 | 51.7 Ų | 51.7 | 60% | 0.598 | 32% | 0.323 | S | S | * | . | trans | -98.5 | -28.6 | 178.7 | -59.7 | 177.9 | 19 | 0 | 0 | 113.3 | A218 S251 | A218-Q220 PolarHBondContact O-N 3.5Å; Q220-S251 WeakPolarHBondContact CG-OG 3.42Å; Q220-S251 PolarHBondContact NE2-OG 3.02Å | ||
| 221 | K | 84.4 | Confident | 83.2 | Confident | 172 Ų | 172 | 53 Ų | 53 | 75% | 0.748 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -82.8 | 148.5 | -178.9 | -67.7 | -176.5 | -177.5 | 175.8 | 0 | 110 | V219 C223 | V219-K221 VanDerWaalsContact CG1-O 3.26Å; V219-K221 WeakPolarHBondContact CG1-O 2.97Å; K221-C223 PolarHBondContact O-N 3.04Å |
| 222 | D | 77.1 | Confident | 82.4 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | trans | -64.9 | 132.9 | 171.8 | -170.9 | 27.7 | 0 | 0 | 0 | 110.9 | S231 C233 R247 | D222-S231 VanDerWaalsContact OD1-CB 3.32Å; D222-S231 WeakPolarHBondContact OD1-CB 3.28Å; D222-S231 PolarHBondContact OD1-OG 2.87Å; D222-S231 PolarHBondContact OD2-OG 2.88Å; D222-C233 HydrophobicContact CB-CB 4.32Å; D222-C233 WeakPolarHBondContact OD1-CB 3.27Å; D222-R247 IonicContact OD1-NH2 3.86Å; D222-R247 PolarHBondContact OD1-NH2 2.9Å | ||
| 223 | C | 73.8 | Confident | 82 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 27% | 0.27 | 34% | 0.344 | S | S | . | . | trans | -149.6 | 153 | 176.6 | 64.8 | 0 | 0 | 0 | 0 | 110.3 | K221 R247 | K221-C223 PolarHBondContact O-N 3.04Å; C223-R247 PolarHBondContact O-NH2 2.76Å | ||
| 224 | A | 71.4 | Confident | 81.7 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 65% | 0.653 | 36% | 0.359 | S | S | * | . | trans | -63.7 | 140.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 225 | V | 71.7 | Confident | 81.5 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | trans | -105.1 | 119.6 | 173.2 | -175.5 | 0 | 0 | 0 | 0 | 107 | G227 E228 F286 | V225-G227 PolarHBondContact O-N 2.61Å; V225-E228 HydrophobicContact CB-CB 4.39Å; V225-E228 HydrophobicContact CB-CG 4.35Å; V225-E228 HydrophobicContact CG1-CG 4.37Å; V225-E228 PolarHBondContact O-N 3.08Å; V225-F286 HydrophobicContact CG1-CB 4.22Å; V225-F286 HydrophobicContact CG1-CD2 4.41Å; V225-F286 HydrophobicContact CG1-CG 4.31Å; V225-F286 HydrophobicContact CG2-CB 3.81Å; V225-F286 HydrophobicContact CG2-CD1 4.31Å; V225-F286 HydrophobicContact CG2-CG 4.14Å | ||
| 226 | D | 65 | Low | 81.4 | Confident | 143 Ų | 143 | 60.3 Ų | 60.3 | 77% | 0.765 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 128.9 | -178.4 | -76.1 | -22.7 | 0 | 0 | 0 | 110.7 | R282 | D226-R282 PolarHBondContact O-NH1 3.03Š|
| 227 | G | 62.8 | Low | 81.2 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 88% | 0.876 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -3.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | V225 | V225-G227 PolarHBondContact O-N 2.61Š|
| 228 | E | 74.4 | Confident | 81.1 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -106.7 | 151.2 | 172.7 | -65.1 | -176.3 | -157.3 | 0 | 0 | 111.9 | V225 G230 S288 | V225-E228 HydrophobicContact CB-CB 4.39Å; V225-E228 HydrophobicContact CB-CG 4.35Å; V225-E228 HydrophobicContact CG1-CG 4.37Å; V225-E228 PolarHBondContact O-N 3.08Å; E228-G230 PolarHBondContact O-N 2.94Å; E228-S288 WeakPolarHBondContact OE1-CB 3.35Å; E228-S288 PolarHBondContact OE1-OG 3.24Å |
| 229 | A | 58.3 | Low | 80.9 | Confident | 124 Ų | 124 | 72 Ų | 72 | 100% | 1.025 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -72.7 | 5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 230 | G | 66 | Low | 80.7 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 41% | 0.412 | 48% | 0.478 | S | S | . | . | S | Bend | trans | 153.1 | -178.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | E228 | E228-G230 PolarHBondContact O-N 2.94Š|
| 231 | S | 74.9 | Confident | 81 | Confident | 40 Ų | 40 | 74.8 Ų | 74.8 | 28% | 0.28 | 47% | 0.465 | S | S | . | . | trans | -78 | 137.5 | 171.8 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | D222 C233 R247 | D222-S231 VanDerWaalsContact OD1-CB 3.32Å; D222-S231 WeakPolarHBondContact OD1-CB 3.28Å; D222-S231 PolarHBondContact OD1-OG 2.87Å; D222-S231 PolarHBondContact OD2-OG 2.88Å; S231-C233 VanDerWaalsContact C-N 3.29Å; S231-C233 PolarHBondContact OG-N 3Å; S231-R247 PolarHBondContact OG-NH2 3.45Å; S231-R247 VanDerWaalsContact OG-NH2 3.14Å | ||
| 232 | S | 81.2 | Confident | 81.5 | Confident | 31 Ų | 31 | 69.9 Ų | 69.9 | 22% | 0.217 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -75.1 | -18.6 | 168.1 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | V245 | S232-V245 WeakPolarHBondContact O-CB 3.45Å; S232-V245 VanDerWaalsContact O-CG1 3.32Å; S232-V245 WeakPolarHBondContact O-CG1 3.46Å |
| 233 | C | 89.9 | Confident | 82.5 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 10% | 0.101 | 42% | 0.42 | C | S | . | . | trans | -78.6 | 147 | -178.7 | -64 | 0 | 0 | 0 | 0 | 111.9 | D222 S231 V245 R247 | D222-C233 HydrophobicContact CB-CB 4.32Å; D222-C233 WeakPolarHBondContact OD1-CB 3.27Å; S231-C233 VanDerWaalsContact C-N 3.29Å; S231-C233 PolarHBondContact OG-N 3Å; C233-V245 VanDerWaalsContact CA-O 3.26Å; C233-V245 WeakPolarHBondContact CA-O 3.42Å; C233-V245 WeakPolarHBondContact CB-O 3.49Å; C233-R247 PolarHBondContact SG-NE 3.29Å | ||
| 234 | G | 91.8 | Very high | 83.5 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 31% | 0.309 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.7 | -177.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F236 I244 V245 | G234-F236 WeakPolarHBondContact O-CD2 3.4Å; G234-F236 VanDerWaalsContact O-CE2 3.3Å; G234-F236 WeakPolarHBondContact O-CE2 3.38Å; G234-I244 CarbonylContact O-C 3.54Å; G234-I244 WeakPolarHBondContact O-CA 3.25Å; G234-V245 PolarHBondContact N-O 2.84Å; G234-V245 PolarHBondContact O-N 3.33Å |
| 235 | S | 94.1 | Very high | 84.7 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 59% | 0.587 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.9 | 174.9 | -63.8 | 0 | 0 | 0 | 0 | 110.7 | F243 | S235-F243 CarbonylContact C-O 3.45Å; S235-F243 WeakPolarHBondContact CA-O 3.44Å |
| 236 | F | 95.1 | Very high | 85.8 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 18% | 0.18 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 150.6 | -175.3 | -54.9 | -81.6 | 0 | 0 | 0 | 110.2 | F187 R191 G234 F243 V245 | F187-F236 HydrophobicContact CE2-CB 3.84Å; F187-F236 HydrophobicContact CE2-CD2 4.28Å; F187-F236 HydrophobicContact CE2-CG 4.12Å; F187-F236 HydrophobicContact CZ-CB 4.24Å; F187-F236 AromaticContact CZ-CD2 3.84Å; F187-F236 HydrophobicContact CZ-CD2 3.84Å; F187-F236 HydrophobicContact CZ-CG 4.15Å; R191-F236 VanDerWaalsContact CZ-CE1 3.42Å; G234-F236 WeakPolarHBondContact O-CD2 3.4Å; G234-F236 VanDerWaalsContact O-CE2 3.3Å; G234-F236 WeakPolarHBondContact O-CE2 3.38Å; F236-F243 HydrophobicContact CB-CB 4.26Å; F236-F243 PolarHBondContact N-O 3.41Å; F236-F243 PolarHBondContact O-N 2.96Å; F236-V245 HydrophobicContact CD2-CG2 3.94Å; F236-V245 HydrophobicContact CE2-CB 4.04Å; F236-V245 HydrophobicContact CE2-CG2 3.67Å |
| 237 | T | 94.8 | Very high | 87.2 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 72% | 0.718 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.2 | 166.4 | -55.8 | 0 | 0 | 0 | 0 | 108.3 | K241 | T237-K241 WeakPolarHBondContact CA-O 3.21Å |
| 238 | F | 95.6 | Very high | 88.8 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 125.1 | 178.3 | -175.2 | -100.5 | 0 | 0 | 0 | 109.5 | L183 R186 F187 D240 K241 F243 | L183-F238 HydrophobicContact CD1-CD1 4.01Å; L183-F238 HydrophobicContact CD1-CE1 4.03Å; R186-F238 HydrophobicContact CB-CE1 3.96Å; R186-F238 HydrophobicContact CB-CZ 3.99Å; F187-F238 HydrophobicContact CB-CD1 3.79Å; F187-F238 HydrophobicContact CB-CE1 4.06Å; F187-F238 HydrophobicContact CB-CG 4.16Å; F187-F238 HydrophobicContact CD2-CB 3.74Å; F187-F238 HydrophobicContact CD2-CD1 4.35Å; F187-F238 HydrophobicContact CD2-CD2 4.27Å; F187-F238 AromaticContact CD2-CG 3.87Å; F187-F238 HydrophobicContact CD2-CG 3.87Å; F187-F238 HydrophobicContact CE2-CB 4.44Å; F238-D240 VanDerWaalsContact C-N 3.25Å; F238-D240 PolarHBondContact O-N 2.78Å; F238-K241 PolarHBondContact N-O 3.03Å; F238-K241 WeakPolarHBondContact O-CB 3.14Å; F238-K241 PolarHBondContact O-N 3.32Å; F238-F243 HydrophobicContact CB-CD2 3.96Å; F238-F243 HydrophobicContact CB-CE2 4.23Å; F238-F243 HydrophobicContact CD1-CE2 4.32Å |
| 239 | E | 94.1 | Very high | 90 | Very high | 99 Ų | 99 | 53.5 Ų | 53.5 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 46.4 | -176.4 | -62.5 | -179.5 | -160.1 | 0 | 0 | 112.8 | L183 R186 K241 | L183-E239 HydrophobicContact CD1-CB 4.15Å; L183-E239 HydrophobicContact CD1-CG 4.41Å; L183-E239 VanDerWaalsContact CD1-OE2 3.31Å; L183-E239 WeakPolarHBondContact CD1-OE2 3.45Å; R186-E239 IonicContact CZ-OE1 3.66Å; R186-E239 IonicContact CZ-OE2 3.68Å; R186-E239 IonicContact NE-OE1 2.81Å; R186-E239 PolarHBondContact NE-OE1 3.29Å; R186-E239 IonicContact NE-OE2 3.37Å; R186-E239 IonicContact NH2-OE1 3.16Å; R186-E239 IonicContact NH2-OE2 3.51Å; R186-E239 PolarHBondContact NH2-OE2 3.39Å; E239-K241 PolarHBondContact O-N 3.19Å; E239-K241 VanDerWaalsContact O-N 3.14Å |
| 240 | D | 90.3 | Very high | 91.9 | Very high | 152 Ų | 152 | 47.8 Ų | 47.8 | 81% | 0.813 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 15.3 | -176.8 | -59 | -45 | 0 | 0 | 0 | 115.8 | F238 | F238-D240 VanDerWaalsContact C-N 3.25Å; F238-D240 PolarHBondContact O-N 2.78Å |
| 241 | K | 94.1 | Very high | 93.4 | Very high | 74 Ų | 74 | 46 Ų | 46 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 147.3 | 174.2 | -53.9 | -52.1 | -169.7 | 178.1 | 0 | 111.5 | L183 P209 Y211 T237 F238 E239 F243 | L183-K241 HydrophobicContact CD2-CB 4.5Å; L183-K241 HydrophobicContact CD2-CG 3.93Å; P209-K241 HydrophobicContact CG-CD 4.03Å; Y211-K241 HydrophobicContact CD2-CB 4.24Å; Y211-K241 HydrophobicContact CE2-CB 4.01Å; Y211-K241 HydrophobicContact CE2-CG 4.12Å; T237-K241 WeakPolarHBondContact CA-O 3.21Å; F238-K241 PolarHBondContact N-O 3.03Å; F238-K241 WeakPolarHBondContact O-CB 3.14Å; F238-K241 PolarHBondContact O-N 3.32Å; E239-K241 PolarHBondContact O-N 3.19Å; E239-K241 VanDerWaalsContact O-N 3.14Å; K241-F243 HydrophobicContact CB-CD2 4.43Å; K241-F243 HydrophobicContact CB-CE2 4.12Å |
| 242 | E | 95.8 | Very high | 94.5 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 128.5 | 173.6 | -175.3 | 177.3 | -145.9 | 0 | 0 | 109.6 | N205 C210 Y211 I244 | N205-E242 PolarHBondContact ND2-OE2 2.89Å; C210-E242 HydrophobicContact CB-CB 4.4Å; C210-E242 PolarHBondContact SG-OE2 2.98Å; Y211-E242 PolarHBondContact N-O 3.37Å; E242-I244 HydrophobicContact CG-CG1 4.36Å |
| 243 | F | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133.8 | 171.6 | -84.3 | -96.3 | 0 | 0 | 0 | 109.5 | L183 A184 F187 Y211 V213 S235 F236 F238 K241 | L183-F243 HydrophobicContact CD2-CE2 4.25Å; L183-F243 HydrophobicContact CD2-CZ 4.18Å; L183-F243 HydrophobicContact CG-CE2 4.25Å; L183-F243 HydrophobicContact CG-CZ 3.99Å; A184-F243 HydrophobicContact CB-CE1 4.24Å; F187-F243 HydrophobicContact CB-CD1 4.24Å; F187-F243 HydrophobicContact CB-CE1 3.92Å; F187-F243 HydrophobicContact CB-CE2 4.29Å; F187-F243 HydrophobicContact CB-CZ 3.95Å; F187-F243 HydrophobicContact CD1-CB 4.44Å; F187-F243 AromaticContact CD1-CD1 3.39Å; F187-F243 HydrophobicContact CD1-CD1 3.39Å; F187-F243 AromaticContact CD1-CE1 3.75Å; F187-F243 HydrophobicContact CD1-CE1 3.75Å; F187-F243 AromaticContact CD1-CG 3.96Å; F187-F243 HydrophobicContact CD1-CG 3.96Å; F187-F243 HydrophobicContact CD2-CB 4.19Å; F187-F243 HydrophobicContact CD2-CD1 4.16Å; F187-F243 HydrophobicContact CD2-CD2 4.14Å; F187-F243 AromaticContact CD2-CG 3.9Å; F187-F243 HydrophobicContact CD2-CG 3.9Å; F187-F243 HydrophobicContact CE1-CB 4.05Å; F187-F243 AromaticContact CE1-CD1 3.68Å; F187-F243 HydrophobicContact CE1-CD1 3.68Å; F187-F243 HydrophobicContact CE1-CE1 4.47Å; F187-F243 HydrophobicContact CE1-CG 4.07Å; F187-F243 HydrophobicContact CE2-CB 3.77Å; F187-F243 HydrophobicContact CE2-CD1 4.4Å; F187-F243 HydrophobicContact CE2-CG 4Å; F187-F243 HydrophobicContact CG-CB 4.49Å; F187-F243 AromaticContact CG-CD1 3.64Å; F187-F243 HydrophobicContact CG-CD1 3.64Å; F187-F243 HydrophobicContact CG-CD2 4.24Å; F187-F243 AromaticContact CG-CE1 3.84Å; F187-F243 HydrophobicContact CG-CE1 3.84Å; F187-F243 HydrophobicContact CG-CE2 4.4Å; F187-F243 AromaticContact CG-CG 3.86Å; F187-F243 HydrophobicContact CG-CG 3.86Å; F187-F243 HydrophobicContact CG-CZ 4.21Å; F187-F243 HydrophobicContact CZ-CB 3.7Å; F187-F243 HydrophobicContact CZ-CD1 4.18Å; F187-F243 HydrophobicContact CZ-CG 4.09Å; Y211-F243 HydrophobicContact CD2-CD2 4.28Å; Y211-F243 HydrophobicContact CD2-CE1 4.16Å; Y211-F243 AromaticContact CD2-CE2 3.75Å; Y211-F243 HydrophobicContact CD2-CE2 3.75Å; Y211-F243 AromaticContact CD2-CZ 3.67Å; Y211-F243 HydrophobicContact CD2-CZ 3.67Å; Y211-F243 HydrophobicContact CE2-CE2 4.39Å; Y211-F243 HydrophobicContact CE2-CZ 4.35Å; Y211-F243 HydrophobicContact CG-CD1 4.44Å; Y211-F243 AromaticContact CG-CE1 3.93Å; Y211-F243 HydrophobicContact CG-CE1 3.93Å; Y211-F243 HydrophobicContact CG-CE2 4.36Å; Y211-F243 AromaticContact CG-CZ 3.87Å; Y211-F243 HydrophobicContact CG-CZ 3.87Å; Y211-F243 CarbonylContact O-C 3.39Å; Y211-F243 WeakPolarHBondContact O-CA 3.27Å; V213-F243 HydrophobicContact CG2-CD1 4.17Å; S235-F243 CarbonylContact C-O 3.45Å; S235-F243 WeakPolarHBondContact CA-O 3.44Å; F236-F243 HydrophobicContact CB-CB 4.26Å; F236-F243 PolarHBondContact N-O 3.41Å; F236-F243 PolarHBondContact O-N 2.96Å; F238-F243 HydrophobicContact CB-CD2 3.96Å; F238-F243 HydrophobicContact CB-CE2 4.23Å; F238-F243 HydrophobicContact CD1-CE2 4.32Å; K241-F243 HydrophobicContact CB-CD2 4.43Å; K241-F243 HydrophobicContact CB-CE2 4.12Å |
| 244 | I | 96 | Very high | 95.8 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.7 | 174.4 | -51.4 | 176.9 | 0 | 0 | 0 | 107.6 | Y211 E212 V213 G234 E242 K246 | Y211-I244 PolarHBondContact O-N 3.04Å; E212-I244 CarbonylContact C-O 3.52Å; E212-I244 VanDerWaalsContact CA-O 3.29Å; E212-I244 WeakPolarHBondContact CA-O 3.48Å; V213-I244 PolarHBondContact N-O 3.42Å; G234-I244 CarbonylContact O-C 3.54Å; G234-I244 WeakPolarHBondContact O-CA 3.25Å; E242-I244 HydrophobicContact CG-CG1 4.36Å; I244-K246 HydrophobicContact CG2-CD 4.45Å; I244-K246 HydrophobicContact CG2-CG 3.95Å |
| 245 | V | 96.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.1 | 174 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | F187 L193 V213 L215 S232 C233 G234 F236 | F187-V245 HydrophobicContact CE1-CG2 3.79Å; F187-V245 HydrophobicContact CZ-CG2 3.79Å; L193-V245 HydrophobicContact CD2-CG1 4.14Å; V213-V245 HydrophobicContact CB-CG2 4.3Å; V213-V245 WeakPolarHBondContact O-CA 3.29Å; L215-V245 HydrophobicContact CD1-CG1 3.3Å; S232-V245 WeakPolarHBondContact O-CB 3.45Å; S232-V245 VanDerWaalsContact O-CG1 3.32Å; S232-V245 WeakPolarHBondContact O-CG1 3.46Å; C233-V245 VanDerWaalsContact CA-O 3.26Å; C233-V245 WeakPolarHBondContact CA-O 3.42Å; C233-V245 WeakPolarHBondContact CB-O 3.49Å; G234-V245 PolarHBondContact N-O 2.84Å; G234-V245 PolarHBondContact O-N 3.33Å; F236-V245 HydrophobicContact CD2-CG2 3.94Å; F236-V245 HydrophobicContact CE2-CB 4.04Å; F236-V245 HydrophobicContact CE2-CG2 3.67Å |
| 246 | K | 94.7 | Very high | 96.3 | Very high | 90 Ų | 90 | 45.9 Ų | 45.9 | 39% | 0.391 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 161.1 | 177.1 | -62.7 | -177 | -172.2 | 158.4 | 0 | 110.3 | E212 V213 R214 L215 I244 | E212-K246 HydrophobicContact CG-CD 4.35Å; E212-K246 IonicContact OE2-NZ 3.22Å; E212-K246 PolarHBondContact OE2-NZ 3.29Å; V213-K246 PolarHBondContact O-N 3.26Å; R214-K246 CarbonylContact C-O 3.54Å; R214-K246 WeakPolarHBondContact CA-O 3.33Å; L215-K246 WeakPolarHBondContact CD1-O 3.46Å; L215-K246 PolarHBondContact N-O 3.21Å; I244-K246 HydrophobicContact CG2-CD 4.45Å; I244-K246 HydrophobicContact CG2-CG 3.95Å |
| 247 | R | 94.6 | Very high | 96.5 | Very high | 16 Ų | 16 | 44 Ų | 44 | 6% | 0.06 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 174.2 | 172.5 | 72.8 | -179.7 | 74.6 | -168.2 | 15.6 | 110.7 | L215 S217 V219 D222 C223 S231 C233 F286 | L215-R247 HydrophobicContact CB-CB 4.11Å; L215-R247 CarbonylContact O-C 3.58Å; L215-R247 WeakPolarHBondContact O-CA 3.46Å; S217-R247 WeakPolarHBondContact OG-CB 3.34Å; V219-R247 WeakPolarHBondContact O-CG 2.95Å; D222-R247 IonicContact OD1-NH2 3.86Å; D222-R247 PolarHBondContact OD1-NH2 2.9Å; C223-R247 PolarHBondContact O-NH2 2.76Å; S231-R247 PolarHBondContact OG-NH2 3.45Å; S231-R247 VanDerWaalsContact OG-NH2 3.14Å; C233-R247 PolarHBondContact SG-NE 3.29Å; R247-F286 PolarHBondContact NH1-O 3.17Å |
| 248 | G | 96.3 | Very high | 96.6 | Very high | 16 Ų | 16 | 39 Ų | 39 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 106.8 | 9.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L215 S217 V219 Y250 S251 | L215-G248 PolarHBondContact O-N 3.25Å; L215-G248 VanDerWaalsContact O-N 3.13Å; S217-G248 CarbonylContact O-C 3.58Å; S217-G248 WeakPolarHBondContact O-CA 3.25Å; S217-G248 WeakPolarHBondContact OG-CA 3.23Å; S217-G248 PolarHBondContact OG-N 2.93Å; V219-G248 PolarHBondContact O-N 2.92Å; G248-Y250 PolarHBondContact O-N 3.48Å; G248-S251 WeakPolarHBondContact O-CB 3.12Å; G248-S251 PolarHBondContact O-N 3.2Å |
| 249 | D | 98 | Very high | 96.8 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 135.3 | 173.8 | -143.3 | 10.1 | 0 | 0 | 0 | 109.5 | R199 R214 L215 A216 S217 S251 | R199-D249 IonicContact CZ-OD1 2.68Å; R199-D249 IonicContact CZ-OD2 3.24Å; R199-D249 IonicContact NE-OD1 3.22Å; R199-D249 IonicContact NE-OD2 2.67Å; R199-D249 PolarHBondContact NE-OD2 3.48Å; R199-D249 IonicContact NH2-OD1 3.94Å; R199-D249 PolarHBondContact NH2-OD1 2.75Å; R199-D249 IonicContact NH2-OD2 3.58Å; R199-D249 PolarHBondContact NH2-OD2 2.76Å; R214-D249 VanDerWaalsContact CD-CG 3.45Å; R214-D249 WeakPolarHBondContact CD-OD1 3.36Å; R214-D249 HydrophobicContact CG-CB 3.89Å; R214-D249 IonicContact NH1-OD1 3.21Å; R214-D249 PolarHBondContact NH1-OD1 2.94Å; L215-D249 WeakPolarHBondContact O-CB 3.33Å; L215-D249 PolarHBondContact O-N 2.73Å; A216-D249 WeakPolarHBondContact CA-O 3.48Å; A216-D249 HydrophobicContact CB-CB 4.25Å; S217-D249 PolarHBondContact N-O 3.1Å; S217-D249 VanDerWaalsContact N-O 3.09Å; D249-S251 PolarHBondContact O-N 3.4Å; D249-S251 VanDerWaalsContact O-N 3.1Å |
| 250 | Y | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 22.1 | -179.2 | -33.4 | -59.4 | 0 | 0 | 0 | 115.3 | V47 L50 R199 A216 G248 P252 L253 M254 F313 | V47-Y250 HydrophobicContact CG1-CD1 4.02Å; V47-Y250 HydrophobicContact CG1-CD2 3.52Å; V47-Y250 HydrophobicContact CG1-CE1 3.99Å; V47-Y250 HydrophobicContact CG1-CE2 3.49Å; V47-Y250 VanDerWaalsContact CG1-CE2 3.49Å; V47-Y250 HydrophobicContact CG1-CG 3.77Å; V47-Y250 HydrophobicContact CG2-CD2 4.26Å; V47-Y250 HydrophobicContact CG2-CG 4.06Å; L50-Y250 HydrophobicContact CB-CD1 4.34Å; L50-Y250 HydrophobicContact CB-CE1 3.86Å; L50-Y250 HydrophobicContact CD1-CD1 3.62Å; L50-Y250 HydrophobicContact CD1-CE1 4Å; R199-Y250 WeakPolarHBondContact CD-OH 3.3Å; R199-Y250 PolarHBondContact NE-OH 3.26Å; A216-Y250 HydrophobicContact CB-CD2 3.7Å; A216-Y250 HydrophobicContact CB-CE2 3.98Å; G248-Y250 PolarHBondContact O-N 3.48Å; Y250-P252 VanDerWaalsContact O-N 3.14Å; Y250-L253 WeakPolarHBondContact O-CA 3.45Å; Y250-L253 WeakPolarHBondContact O-CB 3.41Å; Y250-L253 PolarHBondContact O-N 3.45Å; Y250-M254 PolarHBondContact O-N 2.95Å; Y250-F313 HydrophobicContact CD2-CE1 4.46Å; Y250-F313 HydrophobicContact CD2-CZ 4.15Å; Y250-F313 HydrophobicContact CE2-CE1 4.1Å; Y250-F313 HydrophobicContact CE2-CZ 4.2Å |
| 251 | S | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -43.1 | -51.4 | -169.7 | 156.1 | 0 | 0 | 0 | 0 | 115.4 | S217 A218 Q220 G248 D249 L253 M254 E255 | S217-S251 VanDerWaalsContact O-CA 3.22Å; S217-S251 WeakPolarHBondContact O-CA 3.24Å; S217-S251 WeakPolarHBondContact O-CB 3.27Å; A218-S251 WeakPolarHBondContact O-CB 3.43Å; A218-S251 PolarHBondContact O-OG 3Å; Q220-S251 WeakPolarHBondContact CG-OG 3.42Å; Q220-S251 PolarHBondContact NE2-OG 3.02Å; G248-S251 WeakPolarHBondContact O-CB 3.12Å; G248-S251 PolarHBondContact O-N 3.2Å; D249-S251 PolarHBondContact O-N 3.4Å; D249-S251 VanDerWaalsContact O-N 3.1Å; S251-L253 VanDerWaalsContact C-N 3.3Å; S251-L253 PolarHBondContact O-N 3.46Å; S251-M254 PolarHBondContact O-N 3.15Å; S251-M254 VanDerWaalsContact O-N 3.15Å; S251-E255 WeakPolarHBondContact O-CG 3.42Å; S251-E255 PolarHBondContact O-N 2.92Å |
| 252 | P | 98.2 | Very high | 97.6 | Very high | 38 Ų | 38 | 30.8 Ų | 30.8 | 25% | 0.247 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.5 | -29.4 | -179.5 | -21.2 | 33 | 0 | 0 | 0 | 114.2 | Y250 K256 V728 | Y250-P252 VanDerWaalsContact O-N 3.14Å; P252-K256 PolarHBondContact O-N 3.46Å; P252-V728 HydrophobicContact CB-CG1 3.69Å; P252-V728 HydrophobicContact CB-CG2 3.95Å; P252-V728 HydrophobicContact CG-CG1 4.19Å |
| 253 | L | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -75.2 | -40.3 | 174.2 | -62.8 | 178.2 | 0 | 0 | 0 | 110.6 | L46 V47 Y250 S251 E255 K256 V257 L725 V728 L729 L732 | L46-L253 HydrophobicContact CB-CD1 4.21Å; L46-L253 HydrophobicContact CD1-CD2 4.48Å; V47-L253 HydrophobicContact CG2-CB 4.29Å; V47-L253 HydrophobicContact CG2-CD1 3.89Å; Y250-L253 WeakPolarHBondContact O-CA 3.45Å; Y250-L253 WeakPolarHBondContact O-CB 3.41Å; Y250-L253 PolarHBondContact O-N 3.45Å; S251-L253 VanDerWaalsContact C-N 3.3Å; S251-L253 PolarHBondContact O-N 3.46Å; L253-E255 VanDerWaalsContact C-N 3.29Å; L253-E255 PolarHBondContact O-N 2.87Å; L253-K256 WeakPolarHBondContact O-CB 3.42Å; L253-K256 PolarHBondContact O-N 2.91Å; L253-K256 VanDerWaalsContact O-N 3.13Å; L253-V257 WeakPolarHBondContact O-CG2 3.46Å; L253-V257 PolarHBondContact O-N 3.13Å; L253-L725 HydrophobicContact CD2-CD1 3.68Å; L253-V728 HydrophobicContact CD2-CG1 4.1Å; L253-V728 HydrophobicContact CG-CG1 4.24Å; L253-L729 HydrophobicContact CD1-CD2 4.12Å; L253-L732 HydrophobicContact CD1-CD1 4.2Å; L253-L732 HydrophobicContact CG-CD1 4.25Å |
| 254 | M | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -37.1 | 175 | -64.1 | -60.5 | 96.7 | 0 | 0 | 111.7 | V47 A218 Y250 S251 K256 V257 C258 F284 F313 F327 | V47-M254 HydrophobicContact CG2-CE 3.53Å; A218-M254 HydrophobicContact CB-CB 3.99Å; Y250-M254 PolarHBondContact O-N 2.95Å; S251-M254 PolarHBondContact O-N 3.15Å; S251-M254 VanDerWaalsContact O-N 3.15Å; M254-K256 VanDerWaalsContact C-N 3.34Å; M254-K256 PolarHBondContact O-N 2.54Å; M254-V257 HydrophobicContact CE-CG2 4.33Å; M254-V257 PolarHBondContact O-N 3.39Å; M254-C258 WeakPolarHBondContact O-CB 3.43Å; M254-C258 PolarHBondContact O-N 3.05Å; M254-C258 PolarHBondContact O-SG 2.88Å; M254-C258 VanDerWaalsContact O-SG 3.32Å; M254-F284 HydrophobicContact SD-CB 4.31Å; M254-F284 HydrophobicContact SD-CD1 3.8Å; M254-F284 HydrophobicContact SD-CG 4.38Å; M254-F313 HydrophobicContact SD-CE2 4.4Å; M254-F313 HydrophobicContact SD-CZ 4.43Å; M254-F327 HydrophobicContact CE-CD2 4.38Å; M254-F327 HydrophobicContact CE-CE2 4.16Å |
| 255 | E | 98.4 | Very high | 97.8 | Very high | 109 Ų | 109 | 30.8 Ų | 30.8 | 51% | 0.509 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 172.2 | -73.1 | 176.8 | 178.7 | 0 | 0 | 112.2 | A218 S251 L253 C258 H259 | A218-E255 HydrophobicContact CB-CG 3.7Å; S251-E255 WeakPolarHBondContact O-CG 3.42Å; S251-E255 PolarHBondContact O-N 2.92Å; L253-E255 VanDerWaalsContact C-N 3.29Å; L253-E255 PolarHBondContact O-N 2.87Å; E255-C258 PolarHBondContact O-N 2.8Å; E255-H259 WeakPolarHBondContact O-CB 3.39Å; E255-H259 PolarHBondContact O-N 2.9Å |
| 256 | K | 98.3 | Very high | 97.8 | Very high | 50 Ų | 50 | 34.3 Ų | 34.3 | 22% | 0.217 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -43 | 176.6 | -69 | -76.8 | 178.4 | 164 | 0 | 111.7 | Y43 P252 L253 M254 H259 Y260 D721 | Y43-K256 HydrophobicContact CD1-CB 3.94Å; Y43-K256 HydrophobicContact CD1-CD 4.48Å; Y43-K256 HydrophobicContact CD1-CG 4.11Å; Y43-K256 HydrophobicContact CE1-CD 4.31Å; Y43-K256 HydrophobicContact CE1-CG 4.39Å; Y43-K256 HydrophobicContact CG-CB 3.96Å; P252-K256 PolarHBondContact O-N 3.46Å; L253-K256 WeakPolarHBondContact O-CB 3.42Å; L253-K256 PolarHBondContact O-N 2.91Å; L253-K256 VanDerWaalsContact O-N 3.13Å; M254-K256 VanDerWaalsContact C-N 3.34Å; M254-K256 PolarHBondContact O-N 2.54Å; K256-H259 PolarHBondContact O-N 2.81Å; K256-Y260 WeakPolarHBondContact O-CD2 3.2Å; K256-Y260 PolarHBondContact O-N 2.82Å; K256-Y260 VanDerWaalsContact O-N 3.08Å; K256-D721 WeakPolarHBondContact CE-OD2 3.37Å; K256-D721 IonicContact NZ-OD2 3.56Å; K256-D721 PolarHBondContact NZ-OD2 2.77Å |
| 257 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.5 | -51.5 | 174.2 | 175.9 | 0 | 0 | 0 | 0 | 110 | A40 L253 M254 H259 Y260 L261 F284 I311 F327 | A40-V257 HydrophobicContact CB-CG1 4.49Å; L253-V257 WeakPolarHBondContact O-CG2 3.46Å; L253-V257 PolarHBondContact O-N 3.13Å; M254-V257 HydrophobicContact CE-CG2 4.33Å; M254-V257 PolarHBondContact O-N 3.39Å; V257-H259 VanDerWaalsContact C-N 3.31Å; V257-H259 PolarHBondContact O-N 3.19Å; V257-Y260 PolarHBondContact O-N 3.14Å; V257-L261 HydrophobicContact CG1-CD1 3.81Å; V257-L261 HydrophobicContact CG1-CG 4.28Å; V257-L261 VanDerWaalsContact O-CG 3.29Å; V257-L261 WeakPolarHBondContact O-CG 3.32Å; V257-L261 PolarHBondContact O-N 2.83Å; V257-F284 HydrophobicContact CG1-CD2 3.6Å; V257-F284 HydrophobicContact CG1-CE2 3.77Å; V257-F284 HydrophobicContact CG1-CG 4.11Å; V257-F284 HydrophobicContact CG1-CZ 4.41Å; V257-I311 HydrophobicContact CG1-CD1 4.01Å; V257-F327 HydrophobicContact CG2-CZ 4.43Å |
| 258 | C | 98.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 9% | 0.088 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.9 | -43.3 | 177.4 | -74.8 | 0 | 0 | 0 | 0 | 113 | M254 E255 L261 Q262 R281 F284 | M254-C258 WeakPolarHBondContact O-CB 3.43Å; M254-C258 PolarHBondContact O-N 3.05Å; M254-C258 PolarHBondContact O-SG 2.88Å; M254-C258 VanDerWaalsContact O-SG 3.32Å; E255-C258 PolarHBondContact O-N 2.8Å; C258-L261 PolarHBondContact O-N 3.46Å; C258-Q262 PolarHBondContact O-N 2.92Å; C258-R281 HydrophobicContact CB-CG 3.8Å; C258-R281 PolarHBondContact SG-O 2.99Å; C258-F284 VanDerWaalsContact SG-CB 3.58Å |
| 259 | H | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 35.1 Ų | 35.1 | 43% | 0.431 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.4 | -51.4 | 177.3 | 171.7 | 63.4 | 0 | 0 | 0 | 111.6 | E255 K256 V257 L261 Q262 E263 | E255-H259 WeakPolarHBondContact O-CB 3.39Å; E255-H259 PolarHBondContact O-N 2.9Å; K256-H259 PolarHBondContact O-N 2.81Å; V257-H259 VanDerWaalsContact C-N 3.31Å; V257-H259 PolarHBondContact O-N 3.19Å; H259-L261 PolarHBondContact O-N 3.25Å; H259-Q262 WeakPolarHBondContact O-CB 3.4Å; H259-Q262 PolarHBondContact O-N 3.14Å; H259-Q262 VanDerWaalsContact O-N 3.13Å; H259-E263 PolarHBondContact O-N 3.42Å |
| 260 | Y | 98.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 37.4 Ų | 37.4 | 9% | 0.086 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.8 | -29.6 | -178.2 | -72.7 | -59.1 | 0 | 0 | 0 | 113.6 | Y36 R39 Y43 K256 V257 Q262 E263 A264 | Y36-Y260 AromaticContact CD1-CD1 3.83Å; Y36-Y260 HydrophobicContact CD1-CD1 3.83Å; Y36-Y260 HydrophobicContact CD1-CE1 4.33Å; Y36-Y260 HydrophobicContact CE1-CD1 4.46Å; R39-Y260 HydrophobicContact CB-CD1 3.67Å; R39-Y260 HydrophobicContact CB-CD2 3.82Å; R39-Y260 HydrophobicContact CB-CE1 3.87Å; R39-Y260 HydrophobicContact CB-CE2 4.07Å; R39-Y260 HydrophobicContact CB-CG 3.62Å; R39-Y260 HydrophobicContact CG-CD1 4.27Å; R39-Y260 HydrophobicContact CG-CE1 4.12Å; R39-Y260 PolarHBondContact NH2-OH 2.82Å; Y43-Y260 AromaticContact CD2-CD2 3.72Å; Y43-Y260 HydrophobicContact CD2-CD2 3.72Å; Y43-Y260 AromaticContact CD2-CE2 3.37Å; Y43-Y260 HydrophobicContact CD2-CE2 3.37Å; Y43-Y260 AromaticContact CE2-CD2 3.99Å; Y43-Y260 HydrophobicContact CE2-CD2 3.99Å; Y43-Y260 AromaticContact CE2-CE2 3.16Å; Y43-Y260 HydrophobicContact CE2-CE2 3.16Å; Y43-Y260 AromaticContact CE2-CZ 3.81Å; Y43-Y260 HydrophobicContact CG-CE2 4.33Å; Y43-Y260 AromaticContact CZ-CE2 3.95Å; K256-Y260 WeakPolarHBondContact O-CD2 3.2Å; K256-Y260 PolarHBondContact O-N 2.82Å; K256-Y260 VanDerWaalsContact O-N 3.08Å; V257-Y260 PolarHBondContact O-N 3.14Å; Y260-Q262 VanDerWaalsContact C-N 3.32Å; Y260-E263 PolarHBondContact O-N 3.24Å; Y260-A264 WeakPolarHBondContact O-CB 3.47Å; Y260-A264 PolarHBondContact O-N 3.3Å |
| 261 | L | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 170 | -66.3 | 174 | 0 | 0 | 0 | 111.7 | L37 A40 V257 C258 H259 A264 Q265 L277 F284 I311 | L37-L261 HydrophobicContact CD2-CD2 4.03Å; A40-L261 HydrophobicContact CB-CD2 3.92Å; A40-L261 HydrophobicContact CB-CG 4.08Å; V257-L261 HydrophobicContact CG1-CD1 3.81Å; V257-L261 HydrophobicContact CG1-CG 4.28Å; V257-L261 VanDerWaalsContact O-CG 3.29Å; V257-L261 WeakPolarHBondContact O-CG 3.32Å; V257-L261 PolarHBondContact O-N 2.83Å; C258-L261 PolarHBondContact O-N 3.46Å; H259-L261 PolarHBondContact O-N 3.25Å; L261-A264 PolarHBondContact O-N 2.95Å; L261-Q265 PolarHBondContact O-N 2.76Å; L261-L277 HydrophobicContact CD2-CD2 3.77Å; L261-F284 HydrophobicContact CD1-CD2 3.59Å; L261-F284 HydrophobicContact CD1-CE2 3.68Å; L261-I311 HydrophobicContact CD2-CG2 4.28Å |
| 262 | Q | 98.4 | Very high | 98.2 | Very high | 77 Ų | 77 | 44.2 Ų | 44.2 | 36% | 0.36 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65 | -43.4 | 172.9 | 173.7 | 63.3 | 89.9 | 0 | 0 | 111.6 | C258 H259 Y260 Q265 R281 | C258-Q262 PolarHBondContact O-N 2.92Å; H259-Q262 WeakPolarHBondContact O-CB 3.4Å; H259-Q262 PolarHBondContact O-N 3.14Å; H259-Q262 VanDerWaalsContact O-N 3.13Å; Y260-Q262 VanDerWaalsContact C-N 3.32Å; Q262-Q265 WeakPolarHBondContact O-CB 3.39Å; Q262-Q265 PolarHBondContact O-N 3.05Å; Q262-R281 VanDerWaalsContact CD-NH1 3.32Å |
| 263 | E | 98.1 | Very high | 98.2 | Very high | 68 Ų | 68 | 42.7 Ų | 42.7 | 32% | 0.318 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.1 | -65.1 | -61.1 | 106.8 | 0 | 0 | 111.3 | Y36 H259 Y260 Q265 A266 Y267 | Y36-E263 HydrophobicContact CD1-CB 3.6Å; Y36-E263 HydrophobicContact CD1-CG 4.29Å; Y36-E263 HydrophobicContact CD2-CB 3.92Å; Y36-E263 HydrophobicContact CE1-CB 3.76Å; Y36-E263 HydrophobicContact CE1-CG 4.12Å; Y36-E263 HydrophobicContact CE2-CB 4.1Å; Y36-E263 HydrophobicContact CG-CB 3.66Å; H259-E263 PolarHBondContact O-N 3.42Å; Y260-E263 PolarHBondContact O-N 3.24Å; E263-Q265 VanDerWaalsContact C-N 3.26Å; E263-Q265 PolarHBondContact O-N 3.01Å; E263-A266 PolarHBondContact O-N 3.44Å; E263-Y267 WeakPolarHBondContact O-CD2 3.3Å |
| 264 | A | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -35.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y33 L37 Y260 L261 A266 Y267 A268 L277 | Y33-A264 HydrophobicContact CD2-CB 4.25Å; Y33-A264 VanDerWaalsContact CD2-O 3.23Å; Y33-A264 WeakPolarHBondContact CD2-O 3.41Å; Y33-A264 HydrophobicContact CE2-CB 4.29Å; L37-A264 HydrophobicContact CD2-CB 3.81Å; L37-A264 HydrophobicContact CG-CB 3.94Å; Y260-A264 WeakPolarHBondContact O-CB 3.47Å; Y260-A264 PolarHBondContact O-N 3.3Å; L261-A264 PolarHBondContact O-N 2.95Å; A264-A266 PolarHBondContact O-N 3.36Å; A264-A266 VanDerWaalsContact O-N 3.15Å; A264-Y267 PolarHBondContact O-N 2.71Å; A264-A268 PolarHBondContact O-N 3.32Å; A264-L277 HydrophobicContact CB-CD1 4.11Å |
| 265 | Q | 97.4 | Very high | 98.2 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.9 | -32.1 | -179.3 | -164.5 | -175 | 44.4 | 0 | 0 | 113 | L261 Q262 E263 Y267 A268 K274 L277 | L261-Q265 PolarHBondContact O-N 2.76Å; Q262-Q265 WeakPolarHBondContact O-CB 3.39Å; Q262-Q265 PolarHBondContact O-N 3.05Å; E263-Q265 VanDerWaalsContact C-N 3.26Å; E263-Q265 PolarHBondContact O-N 3.01Å; Q265-Y267 PolarHBondContact O-N 2.92Å; Q265-A268 WeakPolarHBondContact O-CB 3.44Å; Q265-A268 PolarHBondContact O-N 3.01Å; Q265-K274 HydrophobicContact CG-CB 4.33Å; Q265-K274 HydrophobicContact CG-CG 4.31Å; Q265-K274 PolarHBondContact NE2-O 2.79Å; Q265-L277 HydrophobicContact CB-CD1 4.35Å |
| 266 | A | 96.2 | Very high | 98.2 | Very high | 78 Ų | 78 | 46 Ų | 46 | 65% | 0.645 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E263 A264 | E263-A266 PolarHBondContact O-N 3.44Å; A264-A266 PolarHBondContact O-N 3.36Å; A264-A266 VanDerWaalsContact O-N 3.15Å |
| 267 | Y | 97.9 | Very high | 98.2 | Very high | 64 Ų | 64 | 43.8 Ų | 43.8 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 1 | -177.1 | -58.2 | -84.1 | 0 | 0 | 0 | 113.4 | Q29 M32 Y36 E263 A264 Q265 A269 | Q29-Y267 HydrophobicContact CG-CD1 4.27Å; Q29-Y267 WeakPolarHBondContact CG-O 3.38Å; Q29-Y267 PolarHBondContact NE2-O 2.81Å; M32-Y267 HydrophobicContact CB-CD1 3.47Å; M32-Y267 VanDerWaalsContact CB-CD1 3.47Å; M32-Y267 HydrophobicContact CB-CD2 4.01Å; M32-Y267 HydrophobicContact CB-CE1 3.6Å; M32-Y267 HydrophobicContact CB-CE2 4.15Å; M32-Y267 HydrophobicContact CB-CG 3.67Å; M32-Y267 HydrophobicContact CE-CE1 4.3Å; M32-Y267 HydrophobicContact CE-CE2 4.19Å; M32-Y267 WeakPolarHBondContact CE-OH 2.97Å; M32-Y267 HydrophobicContact CG-CD1 4.18Å; M32-Y267 HydrophobicContact CG-CE1 3.86Å; Y36-Y267 AromaticContact CD2-CD2 3.97Å; Y36-Y267 HydrophobicContact CD2-CD2 3.97Å; Y36-Y267 AromaticContact CD2-CE2 3.91Å; Y36-Y267 HydrophobicContact CD2-CE2 3.91Å; Y36-Y267 HydrophobicContact CE2-CD2 4.04Å; Y36-Y267 AromaticContact CE2-CE2 3.49Å; Y36-Y267 HydrophobicContact CE2-CE2 3.49Å; Y36-Y267 VanDerWaalsContact CE2-CE2 3.49Å; E263-Y267 WeakPolarHBondContact O-CD2 3.3Å; A264-Y267 PolarHBondContact O-N 2.71Å; Q265-Y267 PolarHBondContact O-N 2.92Å; Y267-A269 PolarHBondContact O-N 2.88Å |
| 268 | A | 98 | Very high | 98.2 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | trans | -55 | 135.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y33 A264 Q265 Q273 K274 | Y33-A268 HydrophobicContact CE2-CB 4.03Å; A264-A268 PolarHBondContact O-N 3.32Å; Q265-A268 WeakPolarHBondContact O-CB 3.44Å; Q265-A268 PolarHBondContact O-N 3.01Å; A268-Q273 HydrophobicContact CB-CB 3.8Å; A268-K274 HydrophobicContact CB-CG 3.56Å | ||
| 269 | A | 97.6 | Very high | 98.2 | Very high | 70 Ų | 70 | 49 Ų | 49 | 58% | 0.579 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -75.5 | -24.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y267 | Y267-A269 PolarHBondContact O-N 2.88Š|
| 270 | N | 97.8 | Very high | 98.2 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 28% | 0.283 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -154.2 | 175.5 | -177.3 | 65.1 | 57.9 | 0 | 0 | 0 | 112.5 | N272 Q273 K274 D302 | N270-N272 PolarHBondContact O-N 3.25Å; N270-N272 WeakPolarHBondContact OD1-CA 3.26Å; N270-N272 WeakPolarHBondContact OD1-CB 3.46Å; N270-N272 PolarHBondContact OD1-N 3.37Å; N270-Q273 PolarHBondContact O-N 2.67Å; N270-Q273 PolarHBondContact OD1-N 3.2Å; N270-K274 PolarHBondContact O-N 2.86Å; N270-K274 VanDerWaalsContact O-N 3.12Å; N270-D302 PolarHBondContact ND2-OD1 3.04Å |
| 271 | D | 98.3 | Very high | 98.2 | Very high | 103 Ų | 103 | 46 Ų | 46 | 55% | 0.551 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -68.6 | -29.8 | -177.3 | -72.8 | -13.3 | 0 | 0 | 0 | 113.8 | K274 K275 | D271-K274 PolarHBondContact O-N 3.1Å; D271-K275 WeakPolarHBondContact O-CB 3.19Å; D271-K275 VanDerWaalsContact O-CG 3.25Å; D271-K275 WeakPolarHBondContact O-CG 3.43Å; D271-K275 PolarHBondContact O-N 3.41Å |
| 272 | N | 98.4 | Very high | 98.1 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 175.2 | -70.4 | -28.8 | 0 | 0 | 0 | 110 | N270 K274 K275 M276 K301 D302 | N270-N272 PolarHBondContact O-N 3.25Å; N270-N272 WeakPolarHBondContact OD1-CA 3.26Å; N270-N272 WeakPolarHBondContact OD1-CB 3.46Å; N270-N272 PolarHBondContact OD1-N 3.37Å; N272-K274 PolarHBondContact O-N 2.83Å; N272-K275 PolarHBondContact O-N 2.81Å; N272-M276 WeakPolarHBondContact O-CB 3.18Å; N272-M276 PolarHBondContact O-N 3.11Å; N272-K301 PolarHBondContact ND2-O 3.47Å; N272-D302 HydrophobicContact CB-CB 3.92Å |
| 273 | Q | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 175.5 | -67.8 | -175.1 | -5.6 | 0 | 0 | 112.6 | A268 N270 M276 L277 D302 | A268-Q273 HydrophobicContact CB-CB 3.8Å; N270-Q273 PolarHBondContact O-N 2.67Å; N270-Q273 PolarHBondContact OD1-N 3.2Å; Q273-M276 HydrophobicContact CB-CE 4.04Å; Q273-M276 HydrophobicContact CG-CE 3.84Å; Q273-M276 WeakPolarHBondContact O-CG 3.2Å; Q273-L277 WeakPolarHBondContact O-CB 3.46Å; Q273-L277 WeakPolarHBondContact O-CG 3.4Å; Q273-L277 PolarHBondContact O-N 3.38Å; Q273-D302 WeakPolarHBondContact CG-OD2 3.46Å; Q273-D302 PolarHBondContact NE2-OD2 3.2Å |
| 274 | K | 98.5 | Very high | 98.1 | Very high | 88 Ų | 88 | 42.4 Ų | 42.4 | 38% | 0.383 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 176.2 | -71.1 | 176.8 | -176.8 | 171.6 | 0 | 112.2 | Q265 A268 N270 D271 N272 E278 | Q265-K274 HydrophobicContact CG-CB 4.33Å; Q265-K274 HydrophobicContact CG-CG 4.31Å; Q265-K274 PolarHBondContact NE2-O 2.79Å; A268-K274 HydrophobicContact CB-CG 3.56Å; N270-K274 PolarHBondContact O-N 2.86Å; N270-K274 VanDerWaalsContact O-N 3.12Å; D271-K274 PolarHBondContact O-N 3.1Å; N272-K274 PolarHBondContact O-N 2.83Å; K274-E278 PolarHBondContact O-N 3.36Å; K274-E278 VanDerWaalsContact O-N 3.08Å |
| 275 | K | 98.6 | Very high | 98.1 | Very high | 91 Ų | 91 | 45.8 Ų | 45.8 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.5 | -40.5 | -178.1 | -69.9 | 174.6 | -175.5 | 175.8 | 0 | 112.3 | D271 N272 L277 E278 E279 F298 | D271-K275 WeakPolarHBondContact O-CB 3.19Å; D271-K275 VanDerWaalsContact O-CG 3.25Å; D271-K275 WeakPolarHBondContact O-CG 3.43Å; D271-K275 PolarHBondContact O-N 3.41Å; N272-K275 PolarHBondContact O-N 2.81Å; K275-L277 VanDerWaalsContact C-N 3.3Å; K275-L277 PolarHBondContact O-N 3.28Å; K275-E278 WeakPolarHBondContact O-CB 3.28Å; K275-E278 PolarHBondContact O-N 3.31Å; K275-E279 WeakPolarHBondContact O-CB 3.27Å; K275-E279 WeakPolarHBondContact O-CG 3.21Å; K275-E279 PolarHBondContact O-N 2.86Å; K275-F298 HydrophobicContact CB-CB 4.44Å; K275-F298 HydrophobicContact CB-CD1 3.91Å; K275-F298 HydrophobicContact CB-CD2 3.68Å; K275-F298 HydrophobicContact CB-CE1 4.06Å; K275-F298 HydrophobicContact CB-CE2 3.82Å; K275-F298 HydrophobicContact CB-CG 3.74Å; K275-F298 HydrophobicContact CB-CZ 4.02Å; K275-F298 HydrophobicContact CD-CD1 3.96Å; K275-F298 HydrophobicContact CD-CE1 3.47Å; K275-F298 VanDerWaalsContact CD-CE1 3.47Å; K275-F298 HydrophobicContact CD-CE2 4.34Å; K275-F298 HydrophobicContact CD-CZ 3.69Å; K275-F298 HydrophobicContact CG-CE1 4.4Å; K275-F298 HydrophobicContact CG-CZ 4.39Å |
| 276 | M | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 176 | 77.7 | -171.3 | -172.7 | 0 | 0 | 111.1 | Y33 N272 Q273 E279 Y280 G295 F298 W299 | Y33-M276 VanDerWaalsContact OH-CE 3.28Å; Y33-M276 WeakPolarHBondContact OH-CE 3.46Å; N272-M276 WeakPolarHBondContact O-CB 3.18Å; N272-M276 PolarHBondContact O-N 3.11Å; Q273-M276 HydrophobicContact CB-CE 4.04Å; Q273-M276 HydrophobicContact CG-CE 3.84Å; Q273-M276 WeakPolarHBondContact O-CG 3.2Å; M276-E279 PolarHBondContact O-N 3.48Å; M276-Y280 HydrophobicContact CB-CE2 3.95Å; M276-Y280 HydrophobicContact CG-CD2 4.45Å; M276-Y280 HydrophobicContact CG-CE2 3.9Å; M276-Y280 WeakPolarHBondContact O-CB 3.38Å; M276-Y280 WeakPolarHBondContact O-CD2 3.47Å; M276-Y280 PolarHBondContact O-N 3.42Å; M276-Y280 HydrophobicContact SD-CE2 4.45Å; M276-G295 VanDerWaalsContact CB-O 3.31Å; M276-G295 WeakPolarHBondContact CB-O 3.49Å; M276-F298 HydrophobicContact CB-CB 3.79Å; M276-W299 HydrophobicContact CB-CB 4.42Å; M276-W299 HydrophobicContact SD-CB 3.8Å; M276-W299 HydrophobicContact SD-CG 4.21Å |
| 277 | L | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.3 | -36.4 | 177.5 | -66.9 | 177 | 0 | 0 | 0 | 113 | Y33 L37 L261 A264 Q265 Q273 K275 E279 Y280 R281 | Y33-L277 HydrophobicContact CE2-CD1 3.64Å; L37-L277 HydrophobicContact CD2-CD2 3.66Å; L261-L277 HydrophobicContact CD2-CD2 3.77Å; A264-L277 HydrophobicContact CB-CD1 4.11Å; Q265-L277 HydrophobicContact CB-CD1 4.35Å; Q273-L277 WeakPolarHBondContact O-CB 3.46Å; Q273-L277 WeakPolarHBondContact O-CG 3.4Å; Q273-L277 PolarHBondContact O-N 3.38Å; K275-L277 VanDerWaalsContact C-N 3.3Å; K275-L277 PolarHBondContact O-N 3.28Å; L277-E279 VanDerWaalsContact C-N 3.34Å; L277-Y280 HydrophobicContact CD2-CD2 4.33Å; L277-R281 WeakPolarHBondContact O-CB 3.2Å; L277-R281 PolarHBondContact O-N 3.43Å |
| 278 | E | 98.4 | Very high | 97.9 | Very high | 90 Ų | 90 | 39.9 Ų | 39.9 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 172.7 | -176.3 | 171.1 | -169.9 | 0 | 0 | 111.4 | K274 K275 R281 R282 | K274-E278 PolarHBondContact O-N 3.36Å; K274-E278 VanDerWaalsContact O-N 3.08Å; K275-E278 WeakPolarHBondContact O-CB 3.28Å; K275-E278 PolarHBondContact O-N 3.31Å; E278-R281 PolarHBondContact O-N 2.8Å; E278-R282 WeakPolarHBondContact O-CB 3.19Å; E278-R282 PolarHBondContact O-N 2.57Å |
| 279 | E | 98.6 | Very high | 97.8 | Very high | 31 Ų | 31 | 40.4 Ų | 40.4 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.5 | -38.2 | 179.7 | -71.3 | -59.4 | 155.7 | 0 | 0 | 113.1 | K275 M276 L277 R282 S283 E294 G295 F298 | K275-E279 WeakPolarHBondContact O-CB 3.27Å; K275-E279 WeakPolarHBondContact O-CG 3.21Å; K275-E279 PolarHBondContact O-N 2.86Å; M276-E279 PolarHBondContact O-N 3.48Å; L277-E279 VanDerWaalsContact C-N 3.34Å; E279-R282 PolarHBondContact O-N 3.22Å; E279-R282 IonicContact OE1-CZ 3.78Å; E279-R282 IonicContact OE1-NE 3.23Å; E279-R282 IonicContact OE1-NH2 2.75Å; E279-R282 IonicContact OE2-CZ 3.79Å; E279-R282 IonicContact OE2-NE 3.89Å; E279-R282 PolarHBondContact OE2-NE 3.03Å; E279-R282 IonicContact OE2-NH2 3.65Å; E279-R282 PolarHBondContact OE2-NH2 3.35Å; E279-S283 PolarHBondContact O-N 3.22Å; E279-E294 HydrophobicContact CG-CB 4.19Å; E279-E294 HydrophobicContact CG-CG 4Å; E279-G295 VanDerWaalsContact CB-CA 3.48Å; E279-F298 HydrophobicContact CG-CD2 4.31Å; E279-F298 HydrophobicContact CG-CE2 4.28Å |
| 280 | Y | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 171.5 | -62.7 | -29.5 | 0 | 0 | 0 | 111.4 | M276 L277 R282 S283 F284 H292 G295 W299 Y310 I311 | M276-Y280 HydrophobicContact CB-CE2 3.95Å; M276-Y280 HydrophobicContact CG-CD2 4.45Å; M276-Y280 HydrophobicContact CG-CE2 3.9Å; M276-Y280 WeakPolarHBondContact O-CB 3.38Å; M276-Y280 WeakPolarHBondContact O-CD2 3.47Å; M276-Y280 PolarHBondContact O-N 3.42Å; M276-Y280 HydrophobicContact SD-CE2 4.45Å; L277-Y280 HydrophobicContact CD2-CD2 4.33Å; Y280-R282 VanDerWaalsContact C-N 3.33Å; Y280-R282 PolarHBondContact O-N 3.05Å; Y280-S283 WeakPolarHBondContact O-CB 3.38Å; Y280-S283 PolarHBondContact O-N 3.08Å; Y280-F284 WeakPolarHBondContact O-CD2 3.47Å; Y280-F284 PolarHBondContact O-N 3.04Å; Y280-H292 AromaticContact CD1-CD2 3.88Å; Y280-G295 PolarHBondContact OH-O 3.33Å; Y280-W299 VanDerWaalsContact OH-CB 3.26Å; Y280-W299 WeakPolarHBondContact OH-CB 3.36Å; Y280-Y310 HydrophobicContact CE1-CE2 4.44Å; Y280-Y310 WeakPolarHBondContact OH-CD2 3.44Å; Y280-Y310 VanDerWaalsContact OH-CE2 3.29Å; Y280-Y310 WeakPolarHBondContact OH-CE2 3.37Å; Y280-I311 HydrophobicContact CD2-CG2 4.14Å; Y280-I311 HydrophobicContact CG-CG2 4.48Å |
| 281 | R | 98.4 | Very high | 97.5 | Very high | 52 Ų | 52 | 39 Ų | 39 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.3 | -174.4 | -172.7 | 67.4 | -149.9 | -0.5 | 110.8 | C258 Q262 L277 E278 S283 F284 E285 | C258-R281 HydrophobicContact CB-CG 3.8Å; C258-R281 PolarHBondContact SG-O 2.99Å; Q262-R281 VanDerWaalsContact CD-NH1 3.32Å; L277-R281 WeakPolarHBondContact O-CB 3.2Å; L277-R281 PolarHBondContact O-N 3.43Å; E278-R281 PolarHBondContact O-N 2.8Å; R281-S283 VanDerWaalsContact C-N 3.27Å; R281-S283 PolarHBondContact O-N 3.44Å; R281-F284 PolarHBondContact O-N 2.96Å; R281-E285 WeakPolarHBondContact O-CB 3.25Å; R281-E285 PolarHBondContact O-N 3.15Å |
| 282 | R | 97.4 | Very high | 97.5 | Very high | 62 Ų | 62 | 34.2 Ų | 34.2 | 23% | 0.234 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.8 | -40.2 | 176.4 | -168.9 | 172.7 | 70.3 | 132.7 | -1.1 | 111.6 | D226 E278 E279 Y280 E285 F286 A291 | D226-R282 PolarHBondContact O-NH1 3.03Å; E278-R282 WeakPolarHBondContact O-CB 3.19Å; E278-R282 PolarHBondContact O-N 2.57Å; E279-R282 PolarHBondContact O-N 3.22Å; E279-R282 IonicContact OE1-CZ 3.78Å; E279-R282 IonicContact OE1-NE 3.23Å; E279-R282 IonicContact OE1-NH2 2.75Å; E279-R282 IonicContact OE2-CZ 3.79Å; E279-R282 IonicContact OE2-NE 3.89Å; E279-R282 PolarHBondContact OE2-NE 3.03Å; E279-R282 IonicContact OE2-NH2 3.65Å; E279-R282 PolarHBondContact OE2-NH2 3.35Å; Y280-R282 VanDerWaalsContact C-N 3.33Å; Y280-R282 PolarHBondContact O-N 3.05Å; R282-E285 PolarHBondContact O-N 3.33Å; R282-F286 HydrophobicContact CG-CD2 3.79Å; R282-F286 HydrophobicContact CG-CE2 4.16Å; R282-F286 WeakPolarHBondContact O-CD2 3.39Å; R282-F286 PolarHBondContact O-N 3.01Å; R282-A291 HydrophobicContact CB-CB 4.2Å; R282-A291 HydrophobicContact CG-CB 4.21Å |
| 283 | S | 98.2 | Very high | 97.5 | Very high | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.7 | -52.3 | 174.2 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | E279 Y280 R281 E285 G287 S288 H292 | E279-S283 PolarHBondContact O-N 3.22Å; Y280-S283 WeakPolarHBondContact O-CB 3.38Å; Y280-S283 PolarHBondContact O-N 3.08Å; R281-S283 VanDerWaalsContact C-N 3.27Å; R281-S283 PolarHBondContact O-N 3.44Å; S283-E285 VanDerWaalsContact C-N 3.32Å; S283-E285 PolarHBondContact O-N 2.94Å; S283-G287 CarbonylContact O-C 3.51Å; S283-G287 WeakPolarHBondContact O-CA 3.42Å; S283-G287 PolarHBondContact O-N 2.98Å; S283-S288 WeakPolarHBondContact CA-O 3.4Å; S283-S288 VanDerWaalsContact CB-O 3.24Å; S283-S288 WeakPolarHBondContact CB-O 3.27Å; S283-S288 PolarHBondContact O-N 3.31Å; S283-S288 PolarHBondContact OG-O 3.37Å; S283-H292 WeakPolarHBondContact OG-CB 3.38Å |
| 284 | F | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 1% | 0.013 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.5 | -26.4 | 179.8 | -61.4 | -54.4 | 0 | 0 | 0 | 113.2 | S217 A218 M254 V257 C258 L261 Y280 R281 I311 F313 F327 | S217-F284 CarbonylContact C-O 3.59Å; S217-F284 VanDerWaalsContact CA-O 3.23Å; S217-F284 WeakPolarHBondContact CA-O 3.31Å; A218-F284 PolarHBondContact N-O 3.26Å; M254-F284 HydrophobicContact SD-CB 4.31Å; M254-F284 HydrophobicContact SD-CD1 3.8Å; M254-F284 HydrophobicContact SD-CG 4.38Å; V257-F284 HydrophobicContact CG1-CD2 3.6Å; V257-F284 HydrophobicContact CG1-CE2 3.77Å; V257-F284 HydrophobicContact CG1-CG 4.11Å; V257-F284 HydrophobicContact CG1-CZ 4.41Å; C258-F284 VanDerWaalsContact SG-CB 3.58Å; L261-F284 HydrophobicContact CD1-CD2 3.59Å; L261-F284 HydrophobicContact CD1-CE2 3.68Å; Y280-F284 WeakPolarHBondContact O-CD2 3.47Å; Y280-F284 PolarHBondContact O-N 3.04Å; R281-F284 PolarHBondContact O-N 2.96Å; F284-I311 HydrophobicContact CE2-CG1 4.37Å; F284-I311 HydrophobicContact CE2-CG2 4.09Å; F284-I311 HydrophobicContact CZ-CG1 4.1Å; F284-I311 HydrophobicContact CZ-CG2 4.31Å; F284-F313 HydrophobicContact CE1-CE2 4.37Å; F284-F327 HydrophobicContact CD1-CE2 4.48Å; F284-F327 AromaticContact CE1-CE2 3.72Å; F284-F327 HydrophobicContact CE1-CE2 3.72Å; F284-F327 HydrophobicContact CE1-CZ 4.48Å; F284-F327 HydrophobicContact CZ-CE2 4.06Å; F284-F327 HydrophobicContact CZ-CZ 4.39Å |
| 285 | E | 97.1 | Very high | 97.4 | Very high | 71 Ų | 71 | 31.2 Ų | 31.2 | 33% | 0.332 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -71.1 | -46.4 | 177.4 | -174.5 | 168.4 | -167.4 | 0 | 0 | 111.2 | A218 V219 R281 R282 S283 | A218-E285 PolarHBondContact N-O 3.05Å; V219-E285 WeakPolarHBondContact CB-O 3.5Å; V219-E285 HydrophobicContact CG2-CG 3.96Å; V219-E285 WeakPolarHBondContact CG2-O 3.28Å; V219-E285 PolarHBondContact N-O 3.36Å; R281-E285 WeakPolarHBondContact O-CB 3.25Å; R281-E285 PolarHBondContact O-N 3.15Å; R282-E285 PolarHBondContact O-N 3.33Å; S283-E285 VanDerWaalsContact C-N 3.32Å; S283-E285 PolarHBondContact O-N 2.94Å |
| 286 | F | 95.8 | Very high | 97.4 | Very high | 44 Ų | 44 | 26.9 Ų | 26.9 | 19% | 0.193 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -107.7 | -11.3 | -171.4 | -62.6 | -69.2 | 0 | 0 | 0 | 115.1 | V219 V225 R247 R282 | V219-F286 HydrophobicContact CG2-CD1 4.22Å; V219-F286 HydrophobicContact CG2-CE1 4.12Å; V225-F286 HydrophobicContact CG1-CB 4.22Å; V225-F286 HydrophobicContact CG1-CD2 4.41Å; V225-F286 HydrophobicContact CG1-CG 4.31Å; V225-F286 HydrophobicContact CG2-CB 3.81Å; V225-F286 HydrophobicContact CG2-CD1 4.31Å; V225-F286 HydrophobicContact CG2-CG 4.14Å; R247-F286 PolarHBondContact NH1-O 3.17Å; R282-F286 HydrophobicContact CG-CD2 3.79Å; R282-F286 HydrophobicContact CG-CE2 4.16Å; R282-F286 WeakPolarHBondContact O-CD2 3.39Å; R282-F286 PolarHBondContact O-N 3.01Å |
| 287 | G | 95.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 31 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N197 L215 A216 S283 | N197-G287 VanDerWaalsContact ND2-C 3.33Å; N197-G287 PolarHBondContact ND2-O 3.19Å; L215-G287 WeakPolarHBondContact CD2-O 3.42Å; A216-G287 WeakPolarHBondContact O-CA 3.34Å; S283-G287 CarbonylContact O-C 3.51Å; S283-G287 WeakPolarHBondContact O-CA 3.42Å; S283-G287 PolarHBondContact O-N 2.98Å |
| 288 | S | 95.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 5% | 0.049 | 14% | 0.136 | C | C | . | . | trans | -94.8 | 114.7 | -176.9 | 175.5 | 0 | 0 | 0 | 0 | 112.3 | E228 S283 E290 A291 H292 | E228-S288 WeakPolarHBondContact OE1-CB 3.35Å; E228-S288 PolarHBondContact OE1-OG 3.24Å; S283-S288 WeakPolarHBondContact CA-O 3.4Å; S283-S288 VanDerWaalsContact CB-O 3.24Å; S283-S288 WeakPolarHBondContact CB-O 3.27Å; S283-S288 PolarHBondContact O-N 3.31Å; S283-S288 PolarHBondContact OG-O 3.37Å; S288-E290 VanDerWaalsContact C-N 3.32Å; S288-E290 PolarHBondContact OG-N 3.49Å; S288-A291 PolarHBondContact OG-N 2.92Å; S288-H292 PolarHBondContact O-N 3.46Å | ||
| 289 | I | 95.7 | Very high | 97.3 | Very high | 17 Ų | 17 | 25.9 Ų | 25.9 | 9% | 0.087 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.3 | -28.2 | 169.9 | -67.4 | -62.6 | 0 | 0 | 0 | 111.4 | N197 A291 H292 K293 Y394 | N197-I289 HydrophobicContact CB-CD1 3.87Å; N197-I289 HydrophobicContact CB-CG1 4.43Å; N197-I289 WeakPolarHBondContact OD1-CG1 3.13Å; I289-A291 VanDerWaalsContact C-N 3.34Å; I289-A291 PolarHBondContact O-N 2.86Å; I289-H292 WeakPolarHBondContact O-CB 3.23Å; I289-H292 PolarHBondContact O-N 2.84Å; I289-H292 VanDerWaalsContact O-N 3.14Å; I289-K293 HydrophobicContact CG2-CD 4.15Å; I289-K293 HydrophobicContact CG2-CG 4.3Å; I289-K293 WeakPolarHBondContact O-CB 3.18Å; I289-K293 WeakPolarHBondContact O-CG 3.49Å; I289-K293 PolarHBondContact O-N 3.17Å; I289-Y394 HydrophobicContact CG2-CE1 3.83Å |
| 290 | E | 94.1 | Very high | 97.2 | Very high | 94 Ų | 94 | 24.6 Ų | 24.6 | 44% | 0.439 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -67.4 | -35.8 | 175.2 | -69.5 | -57.1 | 137.2 | 0 | 0 | 111.9 | S288 K293 E294 | S288-E290 VanDerWaalsContact C-N 3.32Å; S288-E290 PolarHBondContact OG-N 3.49Å; E290-K293 WeakPolarHBondContact O-CB 3.39Å; E290-K293 PolarHBondContact O-N 3.17Å; E290-K293 IonicContact OE1-NZ 3.4Å; E290-K293 PolarHBondContact OE1-NZ 3.41Å; E290-K293 VanDerWaalsContact OE1-NZ 3.16Å; E290-K293 IonicContact OE2-NZ 2.85Å; E290-E294 PolarHBondContact O-N 3.13Å |
| 291 | A | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R282 S288 I289 K293 E294 G295 | R282-A291 HydrophobicContact CB-CB 4.2Å; R282-A291 HydrophobicContact CG-CB 4.21Å; S288-A291 PolarHBondContact OG-N 2.92Å; I289-A291 VanDerWaalsContact C-N 3.34Å; I289-A291 PolarHBondContact O-N 2.86Å; A291-K293 VanDerWaalsContact C-N 3.34Å; A291-K293 PolarHBondContact O-N 3.3Å; A291-E294 PolarHBondContact O-N 3.38Å; A291-G295 PolarHBondContact O-N 2.81Å |
| 292 | H | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 176 | -164.7 | -85.5 | 0 | 0 | 0 | 112.3 | Y280 S283 S288 I289 E294 G295 S296 Y310 I311 Y394 | Y280-H292 AromaticContact CD1-CD2 3.88Å; S283-H292 WeakPolarHBondContact OG-CB 3.38Å; S288-H292 PolarHBondContact O-N 3.46Å; I289-H292 WeakPolarHBondContact O-CB 3.23Å; I289-H292 PolarHBondContact O-N 2.84Å; I289-H292 VanDerWaalsContact O-N 3.14Å; H292-E294 VanDerWaalsContact C-N 3.35Å; H292-E294 PolarHBondContact O-N 3.33Å; H292-G295 PolarHBondContact O-N 2.99Å; H292-S296 WeakPolarHBondContact O-CB 3.28Å; H292-S296 PolarHBondContact O-N 3.21Å; H292-S296 PolarHBondContact O-OG 3.02Å; H292-Y310 AromaticContact CE1-CZ 3.69Å; H292-Y310 PolarHBondContact CE1-OH 3.22Å; H292-Y310 VanDerWaalsContact CE1-OH 3.28Å; H292-I311 PolarHBondContact NE2-O 3.47Å; H292-Y394 AromaticContact ND1-CE2 3.51Å; H292-Y394 AromaticContact ND1-CZ 3.68Å; H292-Y394 PolarHBondContact ND1-OH 2.89Å |
| 293 | K | 97.4 | Very high | 96.5 | Very high | 21 Ų | 21 | 29.1 Ų | 29.1 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 172.7 | -76.8 | 174.1 | 72.1 | -171.8 | 0 | 111.2 | I289 E290 A291 S296 R297 Y394 D396 I397 | I289-K293 HydrophobicContact CG2-CD 4.15Å; I289-K293 HydrophobicContact CG2-CG 4.3Å; I289-K293 WeakPolarHBondContact O-CB 3.18Å; I289-K293 WeakPolarHBondContact O-CG 3.49Å; I289-K293 PolarHBondContact O-N 3.17Å; E290-K293 WeakPolarHBondContact O-CB 3.39Å; E290-K293 PolarHBondContact O-N 3.17Å; E290-K293 IonicContact OE1-NZ 3.4Å; E290-K293 PolarHBondContact OE1-NZ 3.41Å; E290-K293 VanDerWaalsContact OE1-NZ 3.16Å; E290-K293 IonicContact OE2-NZ 2.85Å; A291-K293 VanDerWaalsContact C-N 3.34Å; A291-K293 PolarHBondContact O-N 3.3Å; K293-S296 CarbonylContact O-C 3.58Å; K293-S296 WeakPolarHBondContact O-CA 3.23Å; K293-S296 WeakPolarHBondContact O-CB 3.36Å; K293-S296 PolarHBondContact O-N 3.33Å; K293-R297 WeakPolarHBondContact O-CG 3.26Å; K293-R297 PolarHBondContact O-N 3.13Å; K293-Y394 HydrophobicContact CB-CD2 4.46Å; K293-Y394 HydrophobicContact CB-CE2 4.47Å; K293-Y394 HydrophobicContact CD-CD1 4.03Å; K293-Y394 HydrophobicContact CD-CE1 4.26Å; K293-Y394 HydrophobicContact CD-CG 4.22Å; K293-Y394 HydrophobicContact CG-CD1 3.79Å; K293-Y394 HydrophobicContact CG-CD2 3.56Å; K293-Y394 HydrophobicContact CG-CE1 3.84Å; K293-Y394 HydrophobicContact CG-CE2 3.6Å; K293-Y394 HydrophobicContact CG-CG 3.66Å; K293-D396 WeakPolarHBondContact CE-OD1 3.27Å; K293-D396 WeakPolarHBondContact CE-OD2 3.44Å; K293-D396 IonicContact NZ-OD1 3.65Å; K293-D396 IonicContact NZ-OD2 3.1Å; K293-D396 PolarHBondContact NZ-OD2 3.37Å; K293-I397 HydrophobicContact CB-CD1 3.8Å; K293-I397 HydrophobicContact CG-CD1 4Å |
| 294 | E | 97.8 | Very high | 96 | Very high | 55 Ų | 55 | 31 Ų | 31 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.7 | -169.2 | 58.5 | -151.1 | 0 | 0 | 112.4 | E279 E290 A291 H292 S296 R297 F298 | E279-E294 HydrophobicContact CG-CB 4.19Å; E279-E294 HydrophobicContact CG-CG 4Å; E290-E294 PolarHBondContact O-N 3.13Å; A291-E294 PolarHBondContact O-N 3.38Å; H292-E294 VanDerWaalsContact C-N 3.35Å; H292-E294 PolarHBondContact O-N 3.33Å; E294-S296 VanDerWaalsContact C-N 3.27Å; E294-S296 PolarHBondContact O-N 3.37Å; E294-R297 WeakPolarHBondContact O-CB 3.49Å; E294-R297 PolarHBondContact O-N 2.93Å; E294-R297 VanDerWaalsContact O-N 3.13Å; E294-R297 WeakPolarHBondContact OE2-CD 3.47Å; E294-R297 IonicContact OE2-CZ 3.43Å; E294-R297 IonicContact OE2-NE 3.88Å; E294-R297 IonicContact OE2-NH1 2.81Å; E294-R297 PolarHBondContact OE2-NH1 2.74Å; E294-F298 HydrophobicContact CG-CD2 4.4Å; E294-F298 HydrophobicContact CG-CE2 3.92Å; E294-F298 VanDerWaalsContact O-CD2 3.3Å; E294-F298 WeakPolarHBondContact O-CD2 3.35Å; E294-F298 PolarHBondContact O-N 3.21Å; E294-F298 VanDerWaalsContact O-N 3.17Å |
| 295 | G | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.6 | -41.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | M276 E279 Y280 A291 H292 R297 F298 W299 | M276-G295 VanDerWaalsContact CB-O 3.31Å; M276-G295 WeakPolarHBondContact CB-O 3.49Å; E279-G295 VanDerWaalsContact CB-CA 3.48Å; Y280-G295 PolarHBondContact OH-O 3.33Å; A291-G295 PolarHBondContact O-N 2.81Å; H292-G295 PolarHBondContact O-N 2.99Å; G295-R297 VanDerWaalsContact C-N 3.32Å; G295-R297 PolarHBondContact O-N 2.65Å; G295-F298 PolarHBondContact O-N 3.36Å; G295-W299 PolarHBondContact O-N 2.76Å |
| 296 | S | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.3 | -34.8 | 176.1 | -57 | 0 | 0 | 0 | 0 | 112.7 | H292 K293 E294 W299 I300 Y310 | H292-S296 WeakPolarHBondContact O-CB 3.28Å; H292-S296 PolarHBondContact O-N 3.21Å; H292-S296 PolarHBondContact O-OG 3.02Å; K293-S296 CarbonylContact O-C 3.58Å; K293-S296 WeakPolarHBondContact O-CA 3.23Å; K293-S296 WeakPolarHBondContact O-CB 3.36Å; K293-S296 PolarHBondContact O-N 3.33Å; E294-S296 VanDerWaalsContact C-N 3.27Å; E294-S296 PolarHBondContact O-N 3.37Å; S296-W299 PolarHBondContact O-N 2.85Å; S296-I300 WeakPolarHBondContact O-CD1 3.26Å; S296-I300 VanDerWaalsContact O-CG1 3.31Å; S296-I300 WeakPolarHBondContact O-CG1 3.48Å; S296-I300 PolarHBondContact O-N 2.91Å; S296-Y310 PolarHBondContact OG-OH 3.37Å |
| 297 | R | 97.4 | Very high | 95.8 | Very high | 40 Ų | 40 | 28.7 Ų | 28.7 | 15% | 0.151 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 172.6 | -66.3 | 178.2 | -176 | 101.5 | 10.9 | 111.8 | K293 E294 G295 W299 K301 I397 E401 | K293-R297 WeakPolarHBondContact O-CG 3.26Å; K293-R297 PolarHBondContact O-N 3.13Å; E294-R297 WeakPolarHBondContact O-CB 3.49Å; E294-R297 PolarHBondContact O-N 2.93Å; E294-R297 VanDerWaalsContact O-N 3.13Å; E294-R297 WeakPolarHBondContact OE2-CD 3.47Å; E294-R297 IonicContact OE2-CZ 3.43Å; E294-R297 IonicContact OE2-NE 3.88Å; E294-R297 IonicContact OE2-NH1 2.81Å; E294-R297 PolarHBondContact OE2-NH1 2.74Å; G295-R297 VanDerWaalsContact C-N 3.32Å; G295-R297 PolarHBondContact O-N 2.65Å; R297-W299 VanDerWaalsContact C-N 3.34Å; R297-K301 WeakPolarHBondContact O-CD 3.26Å; R297-K301 VanDerWaalsContact O-CG 3.25Å; R297-K301 WeakPolarHBondContact O-CG 3.27Å; R297-K301 PolarHBondContact O-N 3.43Å; R297-I397 HydrophobicContact CG-CD1 4.06Å; R297-I397 HydrophobicContact CG-CG1 4.34Å; R297-E401 WeakPolarHBondContact CD-OE1 3.5Å; R297-E401 WeakPolarHBondContact CD-OE2 3.49Å; R297-E401 VanDerWaalsContact CG-OE1 3.28Å; R297-E401 WeakPolarHBondContact CG-OE1 3.33Å; R297-E401 WeakPolarHBondContact CG-OE2 3.26Å; R297-E401 IonicContact NE-OE1 2.67Å; R297-E401 PolarHBondContact NE-OE1 2.82Å |
| 298 | F | 98.1 | Very high | 95.9 | Very high | 33 Ų | 33 | 28.6 Ų | 28.6 | 15% | 0.145 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -40.3 | 174.3 | -73 | -62.2 | 0 | 0 | 0 | 111.8 | K275 M276 E279 E294 G295 K301 D302 | K275-F298 HydrophobicContact CB-CB 4.44Å; K275-F298 HydrophobicContact CB-CD1 3.91Å; K275-F298 HydrophobicContact CB-CD2 3.68Å; K275-F298 HydrophobicContact CB-CE1 4.06Å; K275-F298 HydrophobicContact CB-CE2 3.82Å; K275-F298 HydrophobicContact CB-CG 3.74Å; K275-F298 HydrophobicContact CB-CZ 4.02Å; K275-F298 HydrophobicContact CD-CD1 3.96Å; K275-F298 HydrophobicContact CD-CE1 3.47Å; K275-F298 VanDerWaalsContact CD-CE1 3.47Å; K275-F298 HydrophobicContact CD-CE2 4.34Å; K275-F298 HydrophobicContact CD-CZ 3.69Å; K275-F298 HydrophobicContact CG-CE1 4.4Å; K275-F298 HydrophobicContact CG-CZ 4.39Å; M276-F298 HydrophobicContact CB-CB 3.79Å; E279-F298 HydrophobicContact CG-CD2 4.31Å; E279-F298 HydrophobicContact CG-CE2 4.28Å; E294-F298 HydrophobicContact CG-CD2 4.4Å; E294-F298 HydrophobicContact CG-CE2 3.92Å; E294-F298 VanDerWaalsContact O-CD2 3.3Å; E294-F298 WeakPolarHBondContact O-CD2 3.35Å; E294-F298 PolarHBondContact O-N 3.21Å; E294-F298 VanDerWaalsContact O-N 3.17Å; G295-F298 PolarHBondContact O-N 3.36Å; F298-K301 WeakPolarHBondContact O-CB 3.39Å; F298-K301 PolarHBondContact O-N 2.82Å; F298-K301 VanDerWaalsContact O-N 3.17Å; F298-D302 PolarHBondContact O-N 3.22Å |
| 299 | W | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 176.6 | 175 | 78.1 | 0 | 0 | 0 | 112.7 | M276 Y280 G295 S296 R297 K301 D302 E308 S309 Y310 I391 K404 | M276-W299 HydrophobicContact CB-CB 4.42Å; M276-W299 HydrophobicContact SD-CB 3.8Å; M276-W299 HydrophobicContact SD-CG 4.21Å; Y280-W299 VanDerWaalsContact OH-CB 3.26Å; Y280-W299 WeakPolarHBondContact OH-CB 3.36Å; G295-W299 PolarHBondContact O-N 2.76Å; S296-W299 PolarHBondContact O-N 2.85Å; R297-W299 VanDerWaalsContact C-N 3.34Å; W299-K301 PolarHBondContact O-N 2.9Å; W299-D302 WeakPolarHBondContact O-CB 3.42Å; W299-D302 PolarHBondContact O-N 2.93Å; W299-E308 PolarHBondContact NE1-OE1 3.24Å; W299-S309 PolarHBondContact NE1-O 2.67Å; W299-Y310 AromaticContact CD2-CD2 3.96Å; W299-Y310 HydrophobicContact CD2-CD2 3.96Å; W299-Y310 HydrophobicContact CD2-CE2 4.28Å; W299-Y310 HydrophobicContact CE3-CD2 4.29Å; W299-Y310 HydrophobicContact CE3-CE2 4.22Å; W299-Y310 HydrophobicContact CG-CD2 4.23Å; W299-I391 HydrophobicContact CH2-CD1 3.57Å; W299-I391 HydrophobicContact CH2-CG1 3.64Å; W299-I391 HydrophobicContact CZ2-CD1 3.85Å; W299-I391 HydrophobicContact CZ2-CG1 4.37Å; W299-I391 HydrophobicContact CZ3-CD1 4.32Å; W299-I391 HydrophobicContact CZ3-CG1 4.29Å; W299-I391 WeakPolarHBondContact CZ3-O 3.35Å; W299-K404 HydrophobicContact CD2-CD 4.35Å; W299-K404 HydrophobicContact CE3-CD 4.48Å; W299-K404 HydrophobicContact CE3-CG 4.38Å; W299-K404 HydrophobicContact CH2-CB 3.47Å; W299-K404 VanDerWaalsContact CH2-CB 3.47Å; W299-K404 HydrophobicContact CH2-CD 3.64Å; W299-K404 HydrophobicContact CH2-CG 3.5Å; W299-K404 VanDerWaalsContact CH2-CG 3.5Å; W299-K404 HydrophobicContact CZ2-CB 4.07Å; W299-K404 HydrophobicContact CZ2-CD 3.49Å; W299-K404 VanDerWaalsContact CZ2-CD 3.49Å; W299-K404 HydrophobicContact CZ2-CG 3.94Å; W299-K404 HydrophobicContact CZ3-CB 4.06Å; W299-K404 HydrophobicContact CZ3-CD 4.13Å; W299-K404 HydrophobicContact CZ3-CG 3.73Å; W299-K404 WeakPolarHBondContact O-CE 3.37Å; W299-K404 PolarHBondContact O-NZ 2.74Å |
| 300 | I | 95.2 | Very high | 96.2 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.8 | -35.5 | 174.8 | -69.4 | 158.2 | 0 | 0 | 0 | 111.5 | S296 D302 K303 P392 I397 G402 | S296-I300 WeakPolarHBondContact O-CD1 3.26Å; S296-I300 VanDerWaalsContact O-CG1 3.31Å; S296-I300 WeakPolarHBondContact O-CG1 3.48Å; S296-I300 PolarHBondContact O-N 2.91Å; I300-D302 VanDerWaalsContact C-N 3.32Å; I300-K303 WeakPolarHBondContact O-CD 3.31Å; I300-K303 WeakPolarHBondContact O-CE 3.48Å; I300-K303 PolarHBondContact O-NZ 3.47Å; I300-P392 HydrophobicContact CD1-CG 3.94Å; I300-I397 HydrophobicContact CD1-CG2 3.18Å; I300-G402 VanDerWaalsContact CD1-O 3.27Å; I300-G402 WeakPolarHBondContact CD1-O 3.37Å |
| 301 | K | 94.9 | Very high | 96.4 | Very high | 98 Ų | 98 | 23.9 Ų | 23.9 | 43% | 0.426 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -74.5 | -20.6 | 178.5 | -68.7 | 164.1 | -168.7 | 161.4 | 0 | 112.7 | N272 R297 F298 W299 K303 E401 | N272-K301 PolarHBondContact ND2-O 3.47Å; R297-K301 WeakPolarHBondContact O-CD 3.26Å; R297-K301 VanDerWaalsContact O-CG 3.25Å; R297-K301 WeakPolarHBondContact O-CG 3.27Å; R297-K301 PolarHBondContact O-N 3.43Å; F298-K301 WeakPolarHBondContact O-CB 3.39Å; F298-K301 PolarHBondContact O-N 2.82Å; F298-K301 VanDerWaalsContact O-N 3.17Å; W299-K301 PolarHBondContact O-N 2.9Å; K301-K303 PolarHBondContact O-N 2.82Å; K301-E401 IonicContact NZ-OE2 3.53Å; K301-E401 PolarHBondContact NZ-OE2 3.16Å |
| 302 | D | 95.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -78.9 | 91.6 | 172.9 | -168.3 | 35.6 | 0 | 0 | 0 | 110.4 | N270 N272 Q273 F298 W299 I300 P305 K404 | N270-D302 PolarHBondContact ND2-OD1 3.04Å; N272-D302 HydrophobicContact CB-CB 3.92Å; Q273-D302 WeakPolarHBondContact CG-OD2 3.46Å; Q273-D302 PolarHBondContact NE2-OD2 3.2Å; F298-D302 PolarHBondContact O-N 3.22Å; W299-D302 WeakPolarHBondContact O-CB 3.42Å; W299-D302 PolarHBondContact O-N 2.93Å; I300-D302 VanDerWaalsContact C-N 3.32Å; D302-P305 WeakPolarHBondContact OD2-CB 3.3Å; D302-K404 WeakPolarHBondContact O-CE 3.42Å; D302-K404 PolarHBondContact O-NZ 2.95Å |
| 303 | K | 91.1 | Very high | 96.5 | Very high | 106 Ų | 106 | 24.2 Ų | 24.2 | 46% | 0.461 | 12% | 0.123 | S | C | . | . | trans | -89.7 | 130.8 | -176 | -60.7 | -58.6 | -171.4 | -167.9 | 0 | 111.7 | I300 K301 D371 | I300-K303 WeakPolarHBondContact O-CD 3.31Å; I300-K303 WeakPolarHBondContact O-CE 3.48Å; I300-K303 PolarHBondContact O-NZ 3.47Å; K301-K303 PolarHBondContact O-N 2.82Å; K303-D371 WeakPolarHBondContact CA-OD2 3.16Å; K303-D371 HydrophobicContact CD-CB 3.9Å | ||
| 304 | G | 87.9 | Confident | 96.5 | Very high | 44 Ų | 44 | 23.5 Ų | 23.5 | 45% | 0.454 | 12% | 0.12 | S | C | . | . | S | Bend | trans | 58.3 | 43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D371 | G304-D371 PolarHBondContact N-OD2 3.2Š|
| 305 | P | 94.3 | Very high | 96.4 | Very high | 11 Ų | 11 | 22.2 Ų | 22.2 | 7% | 0.071 | 11% | 0.114 | C | C | . | . | trans | -64.1 | 149.5 | 174.4 | 30.8 | -35.5 | 0 | 0 | 0 | 111.2 | D302 E308 | D302-P305 WeakPolarHBondContact OD2-CB 3.3Å; P305-E308 HydrophobicContact CG-CB 4.18Å; P305-E308 HydrophobicContact CG-CG 4.5Å; P305-E308 WeakPolarHBondContact CG-OE2 3.39Å | ||
| 306 | I | 94.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 22.5 Ų | 22.5 | 27% | 0.272 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -70 | -45 | 176.1 | -62.3 | -60.9 | 0 | 0 | 0 | 111 | L26 E30 V333 V334 | L26-I306 HydrophobicContact CD2-CG2 3.71Å; E30-I306 WeakPolarHBondContact OE1-CB 3.42Å; E30-I306 WeakPolarHBondContact OE1-CG1 3.44Å; E30-I306 WeakPolarHBondContact OE1-CG2 3.49Å; I306-V333 WeakPolarHBondContact O-CA 3.46Å; I306-V334 HydrophobicContact CD1-CG1 3.95Å; I306-V334 PolarHBondContact O-N 3.42Å |
| 307 | V | 97.5 | Very high | 95.9 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.036 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 109.4 | 171.4 | 180 | 0 | 0 | 0 | 0 | 107.2 | L26 E30 Y33 A34 V331 | L26-V307 HydrophobicContact CD1-CG2 4.23Å; L26-V307 HydrophobicContact CD2-CG2 3.72Å; E30-V307 HydrophobicContact CB-CG2 3.96Å; E30-V307 HydrophobicContact CG-CG2 4.41Å; Y33-V307 HydrophobicContact CD1-CB 3.99Å; Y33-V307 HydrophobicContact CD1-CG1 3.87Å; Y33-V307 HydrophobicContact CE1-CB 4.4Å; Y33-V307 HydrophobicContact CE1-CG1 4.25Å; A34-V307 HydrophobicContact CB-CG1 3.97Å; A34-V307 HydrophobicContact CB-CG2 4.37Å; V307-V331 HydrophobicContact CG1-CG1 3.68Å |
| 308 | E | 97.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 143.9 | 177 | -177.3 | 62.2 | -80.9 | 0 | 0 | 109.5 | W299 P305 F330 V331 A332 L375 K404 | W299-E308 PolarHBondContact NE1-OE1 3.24Å; P305-E308 HydrophobicContact CG-CB 4.18Å; P305-E308 HydrophobicContact CG-CG 4.5Å; P305-E308 WeakPolarHBondContact CG-OE2 3.39Å; E308-F330 HydrophobicContact CG-CE2 4.19Å; E308-F330 HydrophobicContact CG-CZ 4.41Å; E308-V331 WeakPolarHBondContact O-CA 3.4Å; E308-A332 PolarHBondContact N-O 2.94Å; E308-A332 PolarHBondContact O-N 3.17Å; E308-L375 HydrophobicContact CB-CD1 3.78Å; E308-L375 HydrophobicContact CB-CD2 4.13Å; E308-L375 HydrophobicContact CG-CD1 3.7Å; E308-K404 IonicContact OE1-NZ 3.86Å; E308-K404 PolarHBondContact OE1-NZ 3.24Å; E308-K404 WeakPolarHBondContact OE2-CD 3.34Å; E308-K404 IonicContact OE2-NZ 2.72Å; E308-K404 PolarHBondContact OE2-NZ 2.68Å |
| 309 | S | 98.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 24.2 Ų | 24.2 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 152.5 | -178.4 | 65 | 0 | 0 | 0 | 0 | 112.1 | L37 W299 F330 | L37-S309 WeakPolarHBondContact CD1-OG 3.4Å; W299-S309 PolarHBondContact NE1-O 2.67Å; S309-F330 WeakPolarHBondContact CA-O 3.47Å; S309-F330 WeakPolarHBondContact CB-O 3.37Å |
| 310 | Y | 98.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 151.7 | 168.8 | -163.7 | -118.4 | 0 | 0 | 0 | 109.2 | Y280 H292 S296 W299 I314 G329 F330 I391 P392 | Y280-Y310 HydrophobicContact CE1-CE2 4.44Å; Y280-Y310 WeakPolarHBondContact OH-CD2 3.44Å; Y280-Y310 VanDerWaalsContact OH-CE2 3.29Å; Y280-Y310 WeakPolarHBondContact OH-CE2 3.37Å; H292-Y310 AromaticContact CE1-CZ 3.69Å; H292-Y310 PolarHBondContact CE1-OH 3.22Å; H292-Y310 VanDerWaalsContact CE1-OH 3.28Å; S296-Y310 PolarHBondContact OG-OH 3.37Å; W299-Y310 AromaticContact CD2-CD2 3.96Å; W299-Y310 HydrophobicContact CD2-CD2 3.96Å; W299-Y310 HydrophobicContact CD2-CE2 4.28Å; W299-Y310 HydrophobicContact CE3-CD2 4.29Å; W299-Y310 HydrophobicContact CE3-CE2 4.22Å; W299-Y310 HydrophobicContact CG-CD2 4.23Å; Y310-I314 HydrophobicContact CD1-CD1 3.9Å; Y310-I314 HydrophobicContact CD1-CG1 4.06Å; Y310-I314 HydrophobicContact CE1-CD1 3.33Å; Y310-I314 HydrophobicContact CE1-CG1 3.88Å; Y310-I314 HydrophobicContact CE1-CG2 4.11Å; Y310-G329 CarbonylContact O-C 3.49Å; Y310-G329 VanDerWaalsContact O-CA 3.3Å; Y310-G329 WeakPolarHBondContact O-CA 3.43Å; Y310-F330 VanDerWaalsContact CB-CE1 3.4Å; Y310-F330 PolarHBondContact N-O 2.87Å; Y310-F330 PolarHBondContact O-N 3.31Å; Y310-I391 HydrophobicContact CD1-CD1 3.35Å; Y310-I391 HydrophobicContact CD2-CD1 4.32Å; Y310-I391 HydrophobicContact CE1-CB 4.37Å; Y310-I391 HydrophobicContact CE1-CD1 3.88Å; Y310-I391 HydrophobicContact CG-CD1 3.59Å; Y310-P392 WeakPolarHBondContact OH-CB 3.3Å |
| 311 | I | 98.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 25.9 Ų | 25.9 | 5% | 0.051 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 137.7 | -173.3 | -171.2 | 170 | 0 | 0 | 0 | 111.1 | A40 V257 L261 Y280 F284 H292 F327 E328 | A40-I311 HydrophobicContact CB-CD1 4Å; V257-I311 HydrophobicContact CG1-CD1 4.01Å; L261-I311 HydrophobicContact CD2-CG2 4.28Å; Y280-I311 HydrophobicContact CD2-CG2 4.14Å; Y280-I311 HydrophobicContact CG-CG2 4.48Å; F284-I311 HydrophobicContact CE2-CG1 4.37Å; F284-I311 HydrophobicContact CE2-CG2 4.09Å; F284-I311 HydrophobicContact CZ-CG1 4.1Å; F284-I311 HydrophobicContact CZ-CG2 4.31Å; H292-I311 PolarHBondContact NE2-O 3.47Å; I311-F327 HydrophobicContact CD1-CE1 4.35Å; I311-F327 HydrophobicContact CD1-CZ 3.86Å; I311-F327 HydrophobicContact CG1-CE1 3.99Å; I311-F327 HydrophobicContact CG1-CZ 3.55Å; I311-E328 WeakPolarHBondContact CA-O 3.48Å |
| 312 | G | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.5 | -164.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F327 E328 | G312-F327 CarbonylContact O-C 3.51Å; G312-F327 WeakPolarHBondContact O-CA 3.37Å; G312-E328 PolarHBondContact N-O 3.3Å; G312-E328 PolarHBondContact O-N 3.2Å; G312-E328 VanDerWaalsContact O-O 3.14Å |
| 313 | F | 98.7 | Very high | 95.6 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 4% | 0.044 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 91.1 | 169.1 | -61.5 | -89.4 | 0 | 0 | 0 | 108 | V47 Y196 N197 A216 Y250 M254 F284 G325 E326 F327 | V47-F313 HydrophobicContact CG1-CE1 4.08Å; V47-F313 HydrophobicContact CG1-CZ 4.46Å; Y196-F313 WeakPolarHBondContact O-CB 3.4Å; N197-F313 HydrophobicContact CB-CB 4.43Å; N197-F313 HydrophobicContact CB-CD2 3.6Å; N197-F313 HydrophobicContact CB-CE2 4.03Å; N197-F313 HydrophobicContact CB-CG 4.04Å; A216-F313 HydrophobicContact CB-CE1 4.26Å; A216-F313 HydrophobicContact CB-CE2 3.58Å; A216-F313 HydrophobicContact CB-CZ 3.35Å; Y250-F313 HydrophobicContact CD2-CE1 4.46Å; Y250-F313 HydrophobicContact CD2-CZ 4.15Å; Y250-F313 HydrophobicContact CE2-CE1 4.1Å; Y250-F313 HydrophobicContact CE2-CZ 4.2Å; M254-F313 HydrophobicContact SD-CE2 4.4Å; M254-F313 HydrophobicContact SD-CZ 4.43Å; F284-F313 HydrophobicContact CE1-CE2 4.37Å; F313-G325 WeakPolarHBondContact CD1-O 3.47Å; F313-E326 CarbonylContact C-O 3.53Å; F313-E326 WeakPolarHBondContact CA-O 3.49Å; F313-F327 HydrophobicContact CD1-CB 4.13Å; F313-F327 HydrophobicContact CD1-CD2 4.42Å; F313-F327 HydrophobicContact CD2-CD2 4.42Å; F313-F327 HydrophobicContact CE1-CB 4.02Å; F313-F327 HydrophobicContact CE1-CD2 4.08Å; F313-F327 HydrophobicContact CE2-CD2 4.06Å; F313-F327 AromaticContact CZ-CD2 3.87Å; F313-F327 HydrophobicContact CZ-CD2 3.87Å |
| 314 | I | 97.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 16.6 Ų | 16.6 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -60.1 | -159.6 | -52.9 | -47.5 | 0 | 0 | 0 | 111.8 | Y196 Y310 E326 E328 I391 N393 | Y196-I314 WeakPolarHBondContact CE1-O 3.03Å; Y310-I314 HydrophobicContact CD1-CD1 3.9Å; Y310-I314 HydrophobicContact CD1-CG1 4.06Å; Y310-I314 HydrophobicContact CE1-CD1 3.33Å; Y310-I314 HydrophobicContact CE1-CG1 3.88Å; Y310-I314 HydrophobicContact CE1-CG2 4.11Å; I314-E326 PolarHBondContact N-O 3.27Å; I314-E326 VanDerWaalsContact N-O 3.08Å; I314-E328 HydrophobicContact CB-CG 3.76Å; I314-E328 HydrophobicContact CG1-CG 3.66Å; I314-I391 HydrophobicContact CG2-CG2 4.01Å; I314-N393 PolarHBondContact O-ND2 2.85Å |
| 315 | E | 94.9 | Very high | 96.4 | Very high | 28 Ų | 28 | 14.5 Ų | 14.5 | 13% | 0.131 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134.8 | -170.8 | -58.6 | -58.9 | 169.4 | 0 | 0 | 112.3 | Y317 G325 E326 N393 | E315-Y317 HydrophobicContact CB-CD2 3.58Å; E315-Y317 HydrophobicContact CB-CE2 3.73Å; E315-Y317 HydrophobicContact CG-CD2 4.16Å; E315-Y317 HydrophobicContact CG-CE2 3.81Å; E315-G325 CarbonylContact O-C 3.52Å; E315-G325 WeakPolarHBondContact O-CA 3.4Å; E315-E326 PolarHBondContact O-N 3.41Å; E315-N393 PolarHBondContact OE2-ND2 3.34Å |
| 316 | S | 94.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 14.7 Ų | 14.7 | 4% | 0.035 | 7% | 0.073 | C | C | . | . | trans | -98.4 | 10.6 | -175.1 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | R318 D319 G322 R324 | S316-R318 VanDerWaalsContact C-N 3.29Å; S316-R318 PolarHBondContact O-N 3.45Å; S316-D319 PolarHBondContact O-N 3Å; S316-G322 WeakPolarHBondContact CB-O 3.39Å; S316-G322 PolarHBondContact OG-O 2.93Å; S316-R324 VanDerWaalsContact CA-O 3.3Å; S316-R324 WeakPolarHBondContact CA-O 3.28Å | ||
| 317 | Y | 92.4 | Very high | 96.8 | Very high | 93 Ų | 93 | 12.2 Ų | 12.2 | 37% | 0.365 | 6% | 0.06 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -34 | -172.6 | -61.1 | -63.9 | 0 | 0 | 0 | 114.9 | E315 E507 A566 | E315-Y317 HydrophobicContact CB-CD2 3.58Å; E315-Y317 HydrophobicContact CB-CE2 3.73Å; E315-Y317 HydrophobicContact CG-CD2 4.16Å; E315-Y317 HydrophobicContact CG-CE2 3.81Å; Y317-E507 PolarHBondContact OH-OE1 3.37Å; Y317-A566 HydrophobicContact CD1-CB 4.26Å |
| 318 | R | 96.6 | Very high | 96.9 | Very high | 11 Ų | 11 | 12.8 Ų | 12.8 | 4% | 0.042 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -6.5 | -172.6 | -62.5 | -173.7 | 76.3 | -152.5 | 4.5 | 114 | T52 D111 L161 Y171 S316 P320 E326 | T52-R318 PolarHBondContact OG1-NH1 3.43Å; T52-R318 VanDerWaalsContact OG1-NH1 3.1Å; D111-R318 IonicContact OD1-CZ 3.01Å; D111-R318 IonicContact OD1-NE 2.67Å; D111-R318 PolarHBondContact OD1-NE 3.28Å; D111-R318 IonicContact OD1-NH2 3.97Å; L161-R318 VanDerWaalsContact CD1-NH2 3.35Å; Y171-R318 HydrophobicContact CE2-CB 4.43Å; S316-R318 VanDerWaalsContact C-N 3.29Å; S316-R318 PolarHBondContact O-N 3.45Å; R318-P320 WeakPolarHBondContact O-CD 3.4Å; R318-E326 VanDerWaalsContact CD-OE1 3.28Å; R318-E326 WeakPolarHBondContact CD-OE1 3.39Å; R318-E326 IonicContact CZ-OE1 3.96Å; R318-E326 IonicContact NE-OE1 3.59Å; R318-E326 IonicContact NH1-OE1 3.25Å; R318-E326 PolarHBondContact NH1-OE1 2.75Å |
| 319 | D | 97.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 3% | 0.027 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -70.6 | 119.7 | 165.7 | 175.2 | 2.5 | 0 | 0 | 0 | 108.1 | F172 S316 F321 G322 S323 R324 | F172-D319 VanDerWaalsContact CE2-OD1 3.23Å; F172-D319 WeakPolarHBondContact CE2-OD1 3.41Å; S316-D319 PolarHBondContact O-N 3Å; D319-F321 PolarHBondContact O-N 3.42Å; D319-F321 PolarHBondContact OD1-N 2.87Å; D319-G322 WeakPolarHBondContact O-CA 3.25Å; D319-G322 PolarHBondContact O-N 2.92Å; D319-G322 PolarHBondContact OD2-N 2.95Å; D319-S323 PolarHBondContact OD2-N 3.14Å; D319-R324 HydrophobicContact CB-CB 4.03Å; D319-R324 WeakPolarHBondContact CB-O 3.5Å; D319-R324 WeakPolarHBondContact OD2-CB 3.26Å; D319-R324 WeakPolarHBondContact OD2-CG 3.49Å; D319-R324 PolarHBondContact OD2-N 2.85Å; D319-R324 IonicContact OD2-NH1 2.76Å; D319-R324 PolarHBondContact OD2-NH1 3.18Å |
| 320 | P | 95.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 12.6 Ų | 12.6 | 23% | 0.234 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -58.7 | -19.2 | 177.7 | -23.8 | 34 | 0 | 0 | 0 | 114.9 | L163 T169 R318 | L163-P320 HydrophobicContact CB-CB 4.39Å; L163-P320 HydrophobicContact CD1-CB 4.04Å; L163-P320 HydrophobicContact CG-CB 3.85Å; L163-P320 HydrophobicContact CG-CG 4.34Å; T169-P320 HydrophobicContact CG2-CG 4.19Å; R318-P320 WeakPolarHBondContact O-CD 3.4Å |
| 321 | F | 95.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 2% | 0.022 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -90.9 | -27.4 | 171.7 | -175.7 | -99.3 | 0 | 0 | 0 | 113.1 | F172 L178 A181 E182 Q185 D319 S323 S499 | F172-F321 HydrophobicContact CE2-CB 4.41Å; F172-F321 HydrophobicContact CZ-CB 3.99Å; L178-F321 HydrophobicContact CD1-CD2 4.06Å; A181-F321 HydrophobicContact CB-CB 4Å; A181-F321 HydrophobicContact CB-CD2 3.55Å; A181-F321 HydrophobicContact CB-CE2 4.25Å; A181-F321 HydrophobicContact CB-CG 3.85Å; E182-F321 HydrophobicContact CB-CE2 4.46Å; E182-F321 HydrophobicContact CG-CE2 3.78Å; Q185-F321 HydrophobicContact CB-CE1 3.63Å; Q185-F321 HydrophobicContact CB-CZ 3.67Å; Q185-F321 HydrophobicContact CG-CE1 3.67Å; Q185-F321 HydrophobicContact CG-CZ 3.94Å; D319-F321 PolarHBondContact O-N 3.42Å; D319-F321 PolarHBondContact OD1-N 2.87Å; F321-S323 WeakPolarHBondContact CD1-OG 3.44Å; F321-S499 CarbonylContact O-C 3.48Å |
| 322 | G | 93.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 12 Ų | 12 | 5% | 0.052 | 6% | 0.058 | C | C | . | . | S | Bend | trans | 91.2 | 22 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | S316 D319 | S316-G322 WeakPolarHBondContact CB-O 3.39Å; S316-G322 PolarHBondContact OG-O 2.93Å; D319-G322 WeakPolarHBondContact O-CA 3.25Å; D319-G322 PolarHBondContact O-N 2.92Å; D319-G322 PolarHBondContact OD2-N 2.95Å |
| 323 | S | 93.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 12.3 Ų | 12.3 | 5% | 0.049 | 6% | 0.06 | C | C | . | . | trans | -124.1 | -15.5 | -178.9 | 72.1 | 0 | 0 | 0 | 0 | 115.8 | Q185 A195 D319 F321 | Q185-S323 VanDerWaalsContact OE1-CB 3.3Å; Q185-S323 PolarHBondContact OE1-OG 3.11Å; A195-S323 WeakPolarHBondContact CB-O 3.45Å; A195-S323 WeakPolarHBondContact CB-OG 3.43Å; D319-S323 PolarHBondContact OD2-N 3.14Å; F321-S323 WeakPolarHBondContact CD1-OG 3.44Å | ||
| 324 | R | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 13 Ų | 13 | 0% | 0.004 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -93.2 | 134.5 | 176.5 | -64.5 | 160.8 | -179.2 | 68.5 | 6.5 | 110.4 | Y171 F172 A195 T198 S316 D319 | Y171-R324 HydrophobicContact CD1-CB 3.58Å; Y171-R324 HydrophobicContact CD1-CG 4.35Å; Y171-R324 HydrophobicContact CE1-CB 3.84Å; F172-R324 VanDerWaalsContact CZ-CZ 3.49Å; A195-R324 HydrophobicContact CB-CG 4.36Å; A195-R324 WeakPolarHBondContact O-CG 3.44Å; T198-R324 VanDerWaalsContact O-CD 3.27Å; T198-R324 WeakPolarHBondContact O-CD 3.38Å; T198-R324 VanDerWaalsContact O-CG 3.29Å; T198-R324 WeakPolarHBondContact O-CG 3.46Å; S316-R324 VanDerWaalsContact CA-O 3.3Å; S316-R324 WeakPolarHBondContact CA-O 3.28Å; D319-R324 HydrophobicContact CB-CB 4.03Å; D319-R324 WeakPolarHBondContact CB-O 3.5Å; D319-R324 WeakPolarHBondContact OD2-CB 3.26Å; D319-R324 WeakPolarHBondContact OD2-CG 3.49Å; D319-R324 PolarHBondContact OD2-N 2.85Å; D319-R324 IonicContact OD2-NH1 2.76Å; D319-R324 PolarHBondContact OD2-NH1 3.18Å |
| 325 | G | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | P | Polyproline II helix | trans | -81.1 | 137.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q51 Y196 F313 E315 | Q51-G325 PolarHBondContact NE2-O 3.06Å; Y196-G325 WeakPolarHBondContact O-CA 3.49Å; Y196-G325 PolarHBondContact O-N 2.9Å; F313-G325 WeakPolarHBondContact CD1-O 3.47Å; E315-G325 CarbonylContact O-C 3.52Å; E315-G325 WeakPolarHBondContact O-CA 3.4Å |
| 326 | E | 98.7 | Very high | 94.8 | Very high | 16 Ų | 16 | 20.7 Ų | 20.7 | 8% | 0.075 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 143.2 | 158 | -168.8 | 171.5 | -113.8 | 0 | 0 | 109.8 | V48 Y171 F313 I314 E315 R318 E328 S383 | V48-E326 HydrophobicContact CG1-CG 4.15Å; V48-E326 VanDerWaalsContact CG1-OE1 3.3Å; V48-E326 WeakPolarHBondContact CG1-OE1 3.23Å; V48-E326 HydrophobicContact CG2-CG 3.84Å; Y171-E326 WeakPolarHBondContact OH-CA 3.49Å; Y171-E326 WeakPolarHBondContact OH-CB 3.35Å; Y171-E326 PolarHBondContact OH-N 3.13Å; F313-E326 CarbonylContact C-O 3.53Å; F313-E326 WeakPolarHBondContact CA-O 3.49Å; I314-E326 PolarHBondContact N-O 3.27Å; I314-E326 VanDerWaalsContact N-O 3.08Å; E315-E326 PolarHBondContact O-N 3.41Å; R318-E326 VanDerWaalsContact CD-OE1 3.28Å; R318-E326 WeakPolarHBondContact CD-OE1 3.39Å; R318-E326 IonicContact CZ-OE1 3.96Å; R318-E326 IonicContact NE-OE1 3.59Å; R318-E326 IonicContact NH1-OE1 3.25Å; R318-E326 PolarHBondContact NH1-OE1 2.75Å; E326-E328 PolarHBondContact O-N 3.08Å; E326-S383 WeakPolarHBondContact OE1-CB 3.49Å; E326-S383 WeakPolarHBondContact OE2-CB 3.38Å; E326-S383 PolarHBondContact OE2-OG 2.83Å |
| 327 | F | 98.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 130.1 | 172.5 | -169.3 | -74.1 | 0 | 0 | 0 | 110.4 | G44 V47 V48 M254 V257 F284 I311 G312 F313 | G44-F327 VanDerWaalsContact CA-CZ 3.41Å; G44-F327 VanDerWaalsContact O-CD1 3.24Å; G44-F327 WeakPolarHBondContact O-CD1 3.09Å; G44-F327 WeakPolarHBondContact O-CG 3.47Å; V47-F327 HydrophobicContact CB-CB 4.12Å; V47-F327 HydrophobicContact CB-CG 4.46Å; V47-F327 HydrophobicContact CG1-CB 4.25Å; V48-F327 HydrophobicContact CG2-CB 4.22Å; V48-F327 WeakPolarHBondContact CG2-O 3.39Å; M254-F327 HydrophobicContact CE-CD2 4.38Å; M254-F327 HydrophobicContact CE-CE2 4.16Å; V257-F327 HydrophobicContact CG2-CZ 4.43Å; F284-F327 HydrophobicContact CD1-CE2 4.48Å; F284-F327 AromaticContact CE1-CE2 3.72Å; F284-F327 HydrophobicContact CE1-CE2 3.72Å; F284-F327 HydrophobicContact CE1-CZ 4.48Å; F284-F327 HydrophobicContact CZ-CE2 4.06Å; F284-F327 HydrophobicContact CZ-CZ 4.39Å; I311-F327 HydrophobicContact CD1-CE1 4.35Å; I311-F327 HydrophobicContact CD1-CZ 3.86Å; I311-F327 HydrophobicContact CG1-CE1 3.99Å; I311-F327 HydrophobicContact CG1-CZ 3.55Å; G312-F327 CarbonylContact O-C 3.51Å; G312-F327 WeakPolarHBondContact O-CA 3.37Å; F313-F327 HydrophobicContact CD1-CB 4.13Å; F313-F327 HydrophobicContact CD1-CD2 4.42Å; F313-F327 HydrophobicContact CD2-CD2 4.42Å; F313-F327 HydrophobicContact CE1-CB 4.02Å; F313-F327 HydrophobicContact CE1-CD2 4.08Å; F313-F327 HydrophobicContact CE2-CD2 4.06Å; F313-F327 AromaticContact CZ-CD2 3.87Å; F313-F327 HydrophobicContact CZ-CD2 3.87Å |
| 328 | E | 98.7 | Very high | 92.9 | Very high | 19 Ų | 19 | 21.7 Ų | 21.7 | 9% | 0.089 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 158.8 | 166.5 | 58.9 | 169.5 | -141.5 | 0 | 0 | 111.8 | I311 G312 I314 E326 F380 A381 | I311-E328 WeakPolarHBondContact CA-O 3.48Å; G312-E328 PolarHBondContact N-O 3.3Å; G312-E328 PolarHBondContact O-N 3.2Å; G312-E328 VanDerWaalsContact O-O 3.14Å; I314-E328 HydrophobicContact CB-CG 3.76Å; I314-E328 HydrophobicContact CG1-CG 3.66Å; E326-E328 PolarHBondContact O-N 3.08Å; E328-F380 HydrophobicContact CB-CE1 4.29Å; E328-A381 VanDerWaalsContact CA-O 3.3Å; E328-A381 WeakPolarHBondContact CA-O 3.32Å |
| 329 | G | 98.6 | Very high | 92 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 135.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A41 Y310 A381 | A41-G329 WeakPolarHBondContact CB-O 3.17Å; Y310-G329 CarbonylContact O-C 3.49Å; Y310-G329 VanDerWaalsContact O-CA 3.3Å; Y310-G329 WeakPolarHBondContact O-CA 3.43Å; G329-A381 PolarHBondContact N-O 3.38Å; G329-A381 PolarHBondContact O-N 2.97Å |
| 330 | F | 98.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 153.4 | 177.7 | 80.3 | -94.7 | 0 | 0 | 0 | 112.6 | E308 S309 Y310 A332 L375 T379 F380 I389 I391 | E308-F330 HydrophobicContact CG-CE2 4.19Å; E308-F330 HydrophobicContact CG-CZ 4.41Å; S309-F330 WeakPolarHBondContact CA-O 3.47Å; S309-F330 WeakPolarHBondContact CB-O 3.37Å; Y310-F330 VanDerWaalsContact CB-CE1 3.4Å; Y310-F330 PolarHBondContact N-O 2.87Å; Y310-F330 PolarHBondContact O-N 3.31Å; F330-A332 HydrophobicContact CD2-CB 4.09Å; F330-A332 HydrophobicContact CE2-CB 4.33Å; F330-L375 HydrophobicContact CE2-CD1 4.24Å; F330-T379 CarbonylContact C-O 3.56Å; F330-T379 WeakPolarHBondContact CA-O 3.33Å; F330-T379 WeakPolarHBondContact CB-O 3.37Å; F330-F380 HydrophobicContact CB-CB 4.41Å; F330-F380 HydrophobicContact CB-CD2 3.52Å; F330-F380 HydrophobicContact CB-CE2 3.84Å; F330-F380 HydrophobicContact CB-CG 4.04Å; F330-F380 HydrophobicContact CD1-CE2 4.28Å; F330-F380 HydrophobicContact CG-CD2 4.31Å; F330-F380 HydrophobicContact CG-CE2 4.27Å; F330-I389 HydrophobicContact CD1-CD1 3.98Å; F330-I389 HydrophobicContact CE1-CD1 3.23Å; F330-I389 HydrophobicContact CE2-CD1 4.44Å; F330-I389 HydrophobicContact CZ-CD1 3.54Å; F330-I391 HydrophobicContact CE1-CD1 4.04Å |
| 331 | V | 98.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 124.3 | 169.3 | -175.1 | 0 | 0 | 0 | 0 | 106.9 | A34 L37 V307 E308 L378 T379 | A34-V331 HydrophobicContact CB-CG1 3.95Å; L37-V331 HydrophobicContact CB-CG2 3.49Å; L37-V331 VanDerWaalsContact CB-CG2 3.49Å; V307-V331 HydrophobicContact CG1-CG1 3.68Å; E308-V331 WeakPolarHBondContact O-CA 3.4Å; V331-L378 HydrophobicContact CG1-CD2 4.38Å; V331-L378 WeakPolarHBondContact O-CB 3.4Å; V331-L378 PolarHBondContact O-N 3.27Å; V331-T379 PolarHBondContact N-O 2.94Å; V331-T379 PolarHBondContact O-N 3.45Å |
| 332 | A | 97.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 155.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E308 F330 L375 D376 | E308-A332 PolarHBondContact N-O 2.94Å; E308-A332 PolarHBondContact O-N 3.17Å; F330-A332 HydrophobicContact CD2-CB 4.09Å; F330-A332 HydrophobicContact CE2-CB 4.33Å; A332-L375 HydrophobicContact CB-CB 3.63Å; A332-L375 HydrophobicContact CB-CD1 3.85Å; A332-L375 HydrophobicContact CB-CG 4.35Å; A332-D376 WeakPolarHBondContact CA-O 3.29Å |
| 333 | V | 95.8 | Very high | 89.7 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.2 | -176.8 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | A22 L26 I306 N335 L375 D376 | A22-V333 HydrophobicContact CB-CB 3.99Å; A22-V333 HydrophobicContact CB-CG1 4.18Å; L26-V333 HydrophobicContact CD1-CG2 3.95Å; L26-V333 HydrophobicContact CD2-CG1 3.76Å; L26-V333 HydrophobicContact CD2-CG2 3.96Å; L26-V333 HydrophobicContact CG-CG2 4.25Å; I306-V333 WeakPolarHBondContact O-CA 3.46Å; V333-N335 PolarHBondContact O-N 3.44Å; V333-L375 CarbonylContact O-C 3.5Å; V333-L375 WeakPolarHBondContact O-CA 3.47Å; V333-D376 PolarHBondContact N-O 3Å; V333-D376 PolarHBondContact O-N 3.31Å |
| 334 | V | 91.6 | Very high | 89.5 | Confident | 24 Ų | 24 | 37.8 Ų | 37.8 | 15% | 0.145 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 128.8 | -176.9 | 69.8 | 0 | 0 | 0 | 0 | 112.9 | I306 K336 L375 | I306-V334 HydrophobicContact CD1-CG1 3.95Å; I306-V334 PolarHBondContact O-N 3.42Å; V334-K336 HydrophobicContact CG1-CG 4.32Å; V334-L375 HydrophobicContact CB-CD2 4.02Å; V334-L375 HydrophobicContact CG2-CD2 4.21Å |
| 335 | N | 82.6 | Confident | 89.1 | Confident | 46 Ų | 46 | 37.8 Ų | 37.8 | 25% | 0.246 | 19% | 0.192 | C | C | . | . | trans | -92.7 | 97.7 | 167.9 | -169.1 | -46.3 | 0 | 0 | 0 | 109.4 | V333 A337 M338 S339 S374 D376 | V333-N335 PolarHBondContact O-N 3.44Å; N335-A337 VanDerWaalsContact C-N 3.33Å; N335-A337 PolarHBondContact O-N 2.86Å; N335-A337 PolarHBondContact OD1-N 3.02Å; N335-M338 HydrophobicContact CB-CB 4.44Å; N335-M338 PolarHBondContact O-N 3.29Å; N335-M338 PolarHBondContact OD1-N 3.38Å; N335-S339 VanDerWaalsContact O-CB 3.31Å; N335-S339 WeakPolarHBondContact O-CB 3.23Å; N335-S339 PolarHBondContact O-N 3.33Å; N335-S339 PolarHBondContact O-OG 3.46Å; N335-S374 WeakPolarHBondContact CB-O 3.47Å; N335-S374 PolarHBondContact N-O 3.49Å; N335-D376 PolarHBondContact ND2-OD2 3.04Å | ||
| 336 | K | 76.1 | Confident | 88.6 | Confident | 151 Ų | 151 | 38.4 Ų | 38.4 | 66% | 0.657 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -61.9 | -37.1 | -172.1 | -68.2 | -174.5 | 178.8 | 179.1 | 0 | 113.4 | V334 E340 | V334-K336 HydrophobicContact CG1-CG 4.32Å; K336-E340 PolarHBondContact O-N 2.85Å |
| 337 | A | 73.9 | Confident | 88.2 | Confident | 72 Ų | 72 | 41.2 Ų | 41.2 | 60% | 0.595 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -67.2 | -45.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N335 E340 | N335-A337 VanDerWaalsContact C-N 3.33Å; N335-A337 PolarHBondContact O-N 2.86Å; N335-A337 PolarHBondContact OD1-N 3.02Å; A337-E340 PolarHBondContact O-N 3.22Å |
| 338 | M | 72.8 | Confident | 87.9 | Confident | 47 Ų | 47 | 41.9 Ų | 41.9 | 23% | 0.232 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.4 | -36.5 | 177.6 | -69.1 | -60.5 | -62.5 | 0 | 0 | 112.2 | N335 E340 R341 F342 S374 E443 | N335-M338 HydrophobicContact CB-CB 4.44Å; N335-M338 PolarHBondContact O-N 3.29Å; N335-M338 PolarHBondContact OD1-N 3.38Å; M338-E340 PolarHBondContact O-N 2.79Å; M338-R341 PolarHBondContact O-N 3.4Å; M338-R341 VanDerWaalsContact O-N 3.15Å; M338-F342 WeakPolarHBondContact O-CD2 3.45Å; M338-S374 WeakPolarHBondContact CB-OG 3.41Å; M338-E443 VanDerWaalsContact CE-CD 3.47Å; M338-E443 HydrophobicContact CE-CG 4.39Å; M338-E443 WeakPolarHBondContact CE-OE1 3.48Å |
| 339 | S | 78.6 | Confident | 87.5 | Confident | 16 Ų | 16 | 41 Ų | 41 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -27.1 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | N335 R341 F342 A343 S374 | N335-S339 VanDerWaalsContact O-CB 3.31Å; N335-S339 WeakPolarHBondContact O-CB 3.23Å; N335-S339 PolarHBondContact O-N 3.33Å; N335-S339 PolarHBondContact O-OG 3.46Å; S339-R341 VanDerWaalsContact C-N 3.32Å; S339-R341 PolarHBondContact O-N 2.88Å; S339-F342 PolarHBondContact O-N 2.94Å; S339-A343 PolarHBondContact O-N 3.17Å; S339-S374 PolarHBondContact OG-N 2.75Å; S339-S374 PolarHBondContact OG-O 2.88Å |
| 340 | E | 81.6 | Confident | 87 | Confident | 109 Ų | 109 | 45.8 Ų | 45.8 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 176.3 | -166 | -173.4 | 158.9 | 0 | 0 | 112.5 | K336 A337 M338 A343 R344 | K336-E340 PolarHBondContact O-N 2.85Å; A337-E340 PolarHBondContact O-N 3.22Å; M338-E340 PolarHBondContact O-N 2.79Å; E340-A343 PolarHBondContact O-N 2.73Å; E340-R344 WeakPolarHBondContact O-CG 3.42Å; E340-R344 PolarHBondContact O-N 3.15Å; E340-R344 VanDerWaalsContact O-N 3.17Å; E340-R344 IonicContact OE1-CZ 3.4Å; E340-R344 IonicContact OE1-NE 3.96Å; E340-R344 IonicContact OE1-NH2 2.76Å; E340-R344 PolarHBondContact OE1-NH2 3.31Å |
| 341 | R | 81.8 | Confident | 86.7 | Confident | 92 Ų | 92 | 49.8 Ų | 49.8 | 35% | 0.347 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66 | -45.3 | 177.9 | -63.3 | 178.8 | -178 | 174.4 | -2.5 | 111.2 | M338 S339 A343 R344 L345 E443 | M338-R341 PolarHBondContact O-N 3.4Å; M338-R341 VanDerWaalsContact O-N 3.15Å; S339-R341 VanDerWaalsContact C-N 3.32Å; S339-R341 PolarHBondContact O-N 2.88Å; R341-A343 VanDerWaalsContact C-N 3.34Å; R341-A343 PolarHBondContact O-N 3.33Å; R341-R344 WeakPolarHBondContact O-CB 3.3Å; R341-R344 PolarHBondContact O-N 3.39Å; R341-L345 PolarHBondContact O-N 3.1Å; R341-E443 IonicContact CZ-OE1 3.31Å; R341-E443 IonicContact NH1-OE1 2.86Å; R341-E443 PolarHBondContact NH1-OE1 3.24Å; R341-E443 IonicContact NH1-OE2 2.82Å; R341-E443 PolarHBondContact NH1-OE2 2.98Å |
| 342 | F | 83.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | 177.7 | -68.1 | -63.9 | 0 | 0 | 0 | 112.3 | M338 S339 R344 L345 V346 F372 E443 F527 | M338-F342 WeakPolarHBondContact O-CD2 3.45Å; S339-F342 PolarHBondContact O-N 2.94Å; F342-R344 VanDerWaalsContact C-N 3.31Å; F342-R344 PolarHBondContact O-N 2.87Å; F342-L345 WeakPolarHBondContact O-CB 3.34Å; F342-L345 PolarHBondContact O-N 2.87Å; F342-L345 VanDerWaalsContact O-N 3.13Å; F342-V346 WeakPolarHBondContact O-CG2 3.22Å; F342-V346 PolarHBondContact O-N 3.42Å; F342-F372 HydrophobicContact CB-CB 3.96Å; F342-F372 HydrophobicContact CB-CD1 3.93Å; F342-F372 HydrophobicContact CB-CD2 4.01Å; F342-F372 HydrophobicContact CB-CG 3.67Å; F342-F372 WeakPolarHBondContact CB-O 3.38Å; F342-F372 AromaticContact CD1-CD1 3.64Å; F342-F372 HydrophobicContact CD1-CD1 3.64Å; F342-F372 AromaticContact CD1-CD2 3.94Å; F342-F372 HydrophobicContact CD1-CD2 3.94Å; F342-F372 AromaticContact CD1-CE1 3.36Å; F342-F372 HydrophobicContact CD1-CE1 3.36Å; F342-F372 AromaticContact CD1-CE2 3.71Å; F342-F372 HydrophobicContact CD1-CE2 3.71Å; F342-F372 AromaticContact CD1-CG 3.96Å; F342-F372 HydrophobicContact CD1-CG 3.96Å; F342-F372 AromaticContact CD1-CZ 3.43Å; F342-F372 HydrophobicContact CD1-CZ 3.43Å; F342-F372 VanDerWaalsContact CD1-CZ 3.43Å; F342-F372 AromaticContact CE1-CE1 3.87Å; F342-F372 HydrophobicContact CE1-CE1 3.87Å; F342-F372 AromaticContact CE1-CE2 3.93Å; F342-F372 HydrophobicContact CE1-CE2 3.93Å; F342-F372 AromaticContact CE1-CZ 3.55Å; F342-F372 HydrophobicContact CE1-CZ 3.55Å; F342-F372 HydrophobicContact CG-CD1 4.1Å; F342-F372 AromaticContact CG-CD2 3.91Å; F342-F372 HydrophobicContact CG-CD2 3.91Å; F342-F372 HydrophobicContact CG-CE1 4.22Å; F342-F372 HydrophobicContact CG-CE2 4.05Å; F342-F372 AromaticContact CG-CG 3.98Å; F342-F372 HydrophobicContact CG-CG 3.98Å; F342-F372 HydrophobicContact CG-CZ 4.23Å; F342-F372 HydrophobicContact CZ-CE2 4.46Å; F342-F372 HydrophobicContact CZ-CZ 4.41Å; F342-E443 HydrophobicContact CZ-CG 4.49Å; F342-F527 AromaticContact CE1-CE1 3.97Å; F342-F527 HydrophobicContact CE1-CE1 3.97Å; F342-F527 HydrophobicContact CE1-CZ 4.21Å; F342-F527 HydrophobicContact CZ-CE1 4.46Å |
| 343 | A | 86.4 | Confident | 86.3 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S339 E340 R341 V346 S347 | S339-A343 PolarHBondContact O-N 3.17Å; E340-A343 PolarHBondContact O-N 2.73Å; R341-A343 VanDerWaalsContact C-N 3.34Å; R341-A343 PolarHBondContact O-N 3.33Å; A343-V346 PolarHBondContact O-N 3.49Å; A343-S347 PolarHBondContact O-N 2.77Å |
| 344 | R | 88.6 | Confident | 86.3 | Confident | 135 Ų | 135 | 55 Ų | 55 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 173.5 | -68.1 | 178 | -170.1 | -169.6 | 4.5 | 111.8 | E340 R341 F342 S347 S348 I526 | E340-R344 WeakPolarHBondContact O-CG 3.42Å; E340-R344 PolarHBondContact O-N 3.15Å; E340-R344 VanDerWaalsContact O-N 3.17Å; E340-R344 IonicContact OE1-CZ 3.4Å; E340-R344 IonicContact OE1-NE 3.96Å; E340-R344 IonicContact OE1-NH2 2.76Å; E340-R344 PolarHBondContact OE1-NH2 3.31Å; R341-R344 WeakPolarHBondContact O-CB 3.3Å; R341-R344 PolarHBondContact O-N 3.39Å; F342-R344 VanDerWaalsContact C-N 3.31Å; F342-R344 PolarHBondContact O-N 2.87Å; R344-S347 WeakPolarHBondContact CA-OG 3.31Å; R344-S347 PolarHBondContact O-N 2.82Å; R344-S347 PolarHBondContact O-OG 3.4Å; R344-S348 PolarHBondContact O-N 3.16Å; R344-S348 PolarHBondContact O-OG 3.12Å; R344-S348 VanDerWaalsContact O-OG 3.11Å; R344-I526 HydrophobicContact CB-CG2 3.98Å |
| 345 | L | 89.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 174.4 | -173.1 | 67.8 | 0 | 0 | 0 | 111.7 | R341 F342 S347 S348 A349 L352 F372 L448 L451 I526 F527 | R341-L345 PolarHBondContact O-N 3.1Å; F342-L345 WeakPolarHBondContact O-CB 3.34Å; F342-L345 PolarHBondContact O-N 2.87Å; F342-L345 VanDerWaalsContact O-N 3.13Å; L345-S347 VanDerWaalsContact C-N 3.27Å; L345-S347 PolarHBondContact O-N 3.01Å; L345-S348 CarbonylContact O-C 3.57Å; L345-S348 WeakPolarHBondContact O-CA 3.4Å; L345-S348 PolarHBondContact O-N 3.31Å; L345-A349 PolarHBondContact O-N 3.38Å; L345-A349 VanDerWaalsContact O-N 3.1Å; L345-L352 HydrophobicContact CD1-CD1 4Å; L345-F372 HydrophobicContact CD2-CE1 4.3Å; L345-L448 HydrophobicContact CD1-CD2 4.4Å; L345-L451 HydrophobicContact CB-CD2 4.33Å; L345-L451 HydrophobicContact CD2-CD2 3.7Å; L345-L451 HydrophobicContact CG-CD2 3.63Å; L345-I526 HydrophobicContact CB-CG2 4.06Å; L345-I526 HydrophobicContact CD1-CD1 4.28Å; L345-F527 HydrophobicContact CD1-CE2 4.26Å; L345-F527 HydrophobicContact CD2-CE2 4.12Å; L345-F527 HydrophobicContact CD2-CZ 3.97Å |
| 346 | V | 89.2 | Confident | 87.3 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 9% | 0.085 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.9 | -42 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | F342 A343 S348 A349 K369 F372 L451 | F342-V346 WeakPolarHBondContact O-CG2 3.22Å; F342-V346 PolarHBondContact O-N 3.42Å; A343-V346 PolarHBondContact O-N 3.49Å; V346-S348 PolarHBondContact O-N 3.46Å; V346-A349 VanDerWaalsContact O-CB 3.32Å; V346-A349 WeakPolarHBondContact O-CB 3.38Å; V346-A349 PolarHBondContact O-N 2.87Å; V346-K369 HydrophobicContact CG1-CB 3.99Å; V346-K369 HydrophobicContact CG1-CG 4.36Å; V346-F372 HydrophobicContact CG2-CB 3.54Å; V346-F372 HydrophobicContact CG2-CD1 4.3Å; V346-F372 HydrophobicContact CG2-CG 4.47Å; V346-L451 HydrophobicContact CG2-CD1 3.96Å; V346-L451 HydrophobicContact CG2-CD2 3.95Å |
| 347 | S | 90.1 | Very high | 88.3 | Confident | 75 Ų | 75 | 49.2 Ų | 49.2 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.8 | -23.3 | 177.6 | 76.3 | 0 | 0 | 0 | 0 | 113.7 | A343 R344 L345 | A343-S347 PolarHBondContact O-N 2.77Å; R344-S347 WeakPolarHBondContact CA-OG 3.31Å; R344-S347 PolarHBondContact O-N 2.82Å; R344-S347 PolarHBondContact O-OG 3.4Å; L345-S347 VanDerWaalsContact C-N 3.27Å; L345-S347 PolarHBondContact O-N 3.01Å |
| 348 | S | 91.6 | Very high | 89.4 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -94.8 | -7.7 | 178.4 | -56.6 | 0 | 0 | 0 | 0 | 113.3 | R344 L345 V346 E350 V351 L352 Q522 I526 | R344-S348 PolarHBondContact O-N 3.16Å; R344-S348 PolarHBondContact O-OG 3.12Å; R344-S348 VanDerWaalsContact O-OG 3.11Å; L345-S348 CarbonylContact O-C 3.57Å; L345-S348 WeakPolarHBondContact O-CA 3.4Å; L345-S348 PolarHBondContact O-N 3.31Å; V346-S348 PolarHBondContact O-N 3.46Å; S348-E350 VanDerWaalsContact C-N 3.33Å; S348-E350 PolarHBondContact O-N 2.89Å; S348-V351 WeakPolarHBondContact O-CB 3.3Å; S348-V351 PolarHBondContact O-N 3.45Å; S348-L352 WeakPolarHBondContact O-CG 3.11Å; S348-L352 PolarHBondContact O-N 2.96Å; S348-L352 VanDerWaalsContact O-N 3.12Å; S348-Q522 PolarHBondContact OG-NE2 3.44Å; S348-I526 WeakPolarHBondContact OG-CD1 3.36Å |
| 349 | A | 90.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.1 | -41.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L345 V346 V351 L352 L353 F367 L452 | L345-A349 PolarHBondContact O-N 3.38Å; L345-A349 VanDerWaalsContact O-N 3.1Å; V346-A349 VanDerWaalsContact O-CB 3.32Å; V346-A349 WeakPolarHBondContact O-CB 3.38Å; V346-A349 PolarHBondContact O-N 2.87Å; A349-V351 PolarHBondContact O-N 3.27Å; A349-L352 PolarHBondContact O-N 3.45Å; A349-L353 VanDerWaalsContact O-CG 3.29Å; A349-L353 WeakPolarHBondContact O-CG 3.45Å; A349-L353 PolarHBondContact O-N 2.94Å; A349-F367 HydrophobicContact CB-CD1 4.01Å; A349-F367 HydrophobicContact CB-CE1 3.29Å; A349-F367 HydrophobicContact CB-CZ 3.62Å; A349-L452 HydrophobicContact CB-CD2 3.85Å |
| 350 | E | 87.9 | Confident | 91.3 | Very high | 102 Ų | 102 | 53.8 Ų | 53.8 | 48% | 0.477 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.3 | -22.7 | 178 | -69.6 | 173 | 154.2 | 0 | 0 | 113.2 | S348 P354 F367 K369 | S348-E350 VanDerWaalsContact C-N 3.33Å; S348-E350 PolarHBondContact O-N 2.89Å; E350-P354 VanDerWaalsContact O-CD 3.3Å; E350-P354 WeakPolarHBondContact O-CD 3.21Å; E350-F367 HydrophobicContact CG-CB 4.43Å; E350-F367 HydrophobicContact CG-CD1 4.21Å; E350-K369 WeakPolarHBondContact OE1-CE 3.14Å; E350-K369 IonicContact OE1-NZ 2.83Å; E350-K369 VanDerWaalsContact OE2-CE 3.26Å; E350-K369 WeakPolarHBondContact OE2-CE 3.29Å; E350-K369 IonicContact OE2-NZ 3.97Å; E350-K369 PolarHBondContact OE2-NZ 3.25Å |
| 351 | V | 92 | Very high | 91.9 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 53% | 0.527 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -86.2 | -31.8 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | S348 A349 P354 | S348-V351 WeakPolarHBondContact O-CB 3.3Å; S348-V351 PolarHBondContact O-N 3.45Å; A349-V351 PolarHBondContact O-N 3.27Å; V351-P354 WeakPolarHBondContact O-CD 3.27Å |
| 352 | L | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -85.4 | -33.9 | -176 | -64.6 | 171.2 | 0 | 0 | 0 | 113.4 | L345 S348 A349 E355 L452 V523 | L345-L352 HydrophobicContact CD1-CD1 4Å; S348-L352 WeakPolarHBondContact O-CG 3.11Å; S348-L352 PolarHBondContact O-N 2.96Å; S348-L352 VanDerWaalsContact O-N 3.12Å; A349-L352 PolarHBondContact O-N 3.45Å; L352-E355 WeakPolarHBondContact O-CB 3.33Å; L352-E355 PolarHBondContact O-N 3.49Å; L352-L452 HydrophobicContact CB-CD1 3.91Å; L352-L452 HydrophobicContact CD1-CD1 3.78Å; L352-V523 HydrophobicContact CD1-CG2 3.73Å; L352-V523 HydrophobicContact CD2-CG2 3.69Å; L352-V523 HydrophobicContact CG-CG2 4.38Å |
| 353 | L | 94.6 | Very high | 93.2 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -56.7 | -42.2 | -179.9 | -72.9 | 164.7 | 0 | 0 | 0 | 113.2 | A349 E355 L356 F367 L452 | A349-L353 VanDerWaalsContact O-CG 3.29Å; A349-L353 WeakPolarHBondContact O-CG 3.45Å; A349-L353 PolarHBondContact O-N 2.94Å; L353-E355 PolarHBondContact O-N 3Å; L353-E355 VanDerWaalsContact O-N 3.11Å; L353-L356 HydrophobicContact CD2-CD1 3.88Å; L353-L356 WeakPolarHBondContact O-CB 3.24Å; L353-L356 PolarHBondContact O-N 2.85Å; L353-F367 HydrophobicContact CD1-CB 3.85Å; L353-F367 HydrophobicContact CD1-CD1 4.24Å; L353-F367 HydrophobicContact CD1-CD2 3.39Å; L353-F367 HydrophobicContact CD1-CE2 3.93Å; L353-F367 HydrophobicContact CD1-CG 3.54Å; L353-L452 HydrophobicContact CD2-CD2 4.04Å; L353-L452 HydrophobicContact CG-CD2 4.24Å |
| 354 | P | 95.9 | Very high | 93.5 | Very high | 104 Ų | 104 | 48.8 Ų | 48.8 | 68% | 0.675 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -63.3 | -13.1 | 175.5 | -23.7 | 35.4 | 0 | 0 | 0 | 115.1 | E350 V351 L356 | E350-P354 VanDerWaalsContact O-CD 3.3Å; E350-P354 WeakPolarHBondContact O-CD 3.21Å; V351-P354 WeakPolarHBondContact O-CD 3.27Å; P354-L356 VanDerWaalsContact C-N 3.33Å |
| 355 | E | 96.3 | Very high | 93.4 | Very high | 81 Ų | 81 | 48.3 Ų | 48.3 | 38% | 0.379 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -79.3 | -18 | 174.7 | -59.3 | -166.9 | -179.7 | 0 | 0 | 112.7 | L352 L353 Y516 L517 N520 | L352-E355 WeakPolarHBondContact O-CB 3.33Å; L352-E355 PolarHBondContact O-N 3.49Å; L353-E355 PolarHBondContact O-N 3Å; L353-E355 VanDerWaalsContact O-N 3.11Å; E355-Y516 VanDerWaalsContact O-CE1 3.25Å; E355-Y516 WeakPolarHBondContact O-CE1 3.22Å; E355-L517 HydrophobicContact CB-CD2 4.16Å; E355-N520 PolarHBondContact OE1-ND2 3.27Å; E355-N520 PolarHBondContact OE2-ND2 3.48Å |
| 356 | L | 97.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -64.1 | 145.8 | 179.4 | -65.9 | 174 | 0 | 0 | 0 | 111 | L353 P354 W358 V513 L517 | L353-L356 HydrophobicContact CD2-CD1 3.88Å; L353-L356 WeakPolarHBondContact O-CB 3.24Å; L353-L356 PolarHBondContact O-N 2.85Å; P354-L356 VanDerWaalsContact C-N 3.33Å; L356-W358 HydrophobicContact CB-CD2 4.09Å; L356-W358 HydrophobicContact CB-CE3 4.29Å; L356-W358 HydrophobicContact CB-CH2 4.01Å; L356-W358 HydrophobicContact CB-CZ2 3.78Å; L356-W358 HydrophobicContact CB-CZ3 4.26Å; L356-W358 HydrophobicContact CD1-CH2 3.64Å; L356-W358 HydrophobicContact CD1-CZ2 3.33Å; L356-W358 HydrophobicContact CD2-CH2 4.3Å; L356-W358 HydrophobicContact CG-CH2 4.19Å; L356-W358 HydrophobicContact CG-CZ2 4.08Å; L356-W358 PolarHBondContact O-N 2.95Å; L356-V513 HydrophobicContact CD2-CB 4.45Å; L356-V513 HydrophobicContact CD2-CG1 3.84Å; L356-V513 HydrophobicContact CD2-CG2 4Å; L356-L517 HydrophobicContact CD2-CD1 3.89Å; L356-L517 HydrophobicContact CD2-CD2 4.14Å; L356-L517 HydrophobicContact CD2-CG 3.98Å |
| 357 | P | 97.1 | Very high | 93 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 7% | 0.071 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -83.9 | 38.3 | -164.5 | 36.6 | -39.1 | 0 | 0 | 0 | 113.4 | H618 L621 C622 | P357-H618 HydrophobicContact CB-CB 4.31Å; P357-H618 VanDerWaalsContact CB-CE1 3.44Å; P357-H618 WeakPolarHBondContact CB-CE1 3.26Å; P357-H618 WeakPolarHBondContact CB-ND1 3.36Å; P357-L621 HydrophobicContact CG-CB 3.81Å; P357-L621 HydrophobicContact CG-CD2 3.72Å; P357-L621 HydrophobicContact CG-CG 3.72Å; P357-C622 WeakPolarHBondContact O-CB 3.49Å; P357-C622 PolarHBondContact O-SG 2.99Å; P357-C622 VanDerWaalsContact O-SG 3.39Å |
| 358 | W | 97.1 | Very high | 92.5 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 8% | 0.076 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -132.3 | 155.5 | 174.5 | 52.6 | 76.4 | 0 | 0 | 0 | 111.5 | L356 F362 E363 S456 V513 L621 Q625 | L356-W358 HydrophobicContact CB-CD2 4.09Å; L356-W358 HydrophobicContact CB-CE3 4.29Å; L356-W358 HydrophobicContact CB-CH2 4.01Å; L356-W358 HydrophobicContact CB-CZ2 3.78Å; L356-W358 HydrophobicContact CB-CZ3 4.26Å; L356-W358 HydrophobicContact CD1-CH2 3.64Å; L356-W358 HydrophobicContact CD1-CZ2 3.33Å; L356-W358 HydrophobicContact CD2-CH2 4.3Å; L356-W358 HydrophobicContact CG-CH2 4.19Å; L356-W358 HydrophobicContact CG-CZ2 4.08Å; L356-W358 PolarHBondContact O-N 2.95Å; W358-F362 HydrophobicContact CB-CB 4.25Å; W358-F362 HydrophobicContact CG-CB 4.33Å; W358-E363 PolarHBondContact NE1-OE2 2.82Å; W358-S456 WeakPolarHBondContact CZ2-OG 3.5Å; W358-V513 HydrophobicContact CH2-CG2 4.16Å; W358-L621 HydrophobicContact CE3-CG 4.33Å; W358-L621 HydrophobicContact CZ3-CD1 3.85Å; W358-L621 HydrophobicContact CZ3-CD2 4.16Å; W358-L621 HydrophobicContact CZ3-CG 3.75Å; W358-Q625 HydrophobicContact CB-CG 4.28Å; W358-Q625 HydrophobicContact CD2-CB 3.94Å; W358-Q625 HydrophobicContact CD2-CG 3.59Å; W358-Q625 HydrophobicContact CE3-CB 3.46Å; W358-Q625 VanDerWaalsContact CE3-CB 3.46Å; W358-Q625 HydrophobicContact CE3-CG 3.65Å; W358-Q625 HydrophobicContact CG-CB 4.41Å; W358-Q625 HydrophobicContact CG-CG 3.89Å; W358-Q625 HydrophobicContact CH2-CG 4.48Å; W358-Q625 HydrophobicContact CZ2-CG 4.44Å; W358-Q625 HydrophobicContact CZ3-CB 3.87Å; W358-Q625 HydrophobicContact CZ3-CG 4.11Å |
| 359 | P | 96.3 | Very high | 92.1 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | trans | -60.9 | 150.6 | 177.6 | -21.5 | 33 | 0 | 0 | 0 | 112.1 | Q361 F362 P478 | P359-Q361 VanDerWaalsContact CB-OE1 3.27Å; P359-Q361 PolarHBondContact O-N 2.93Å; P359-F362 HydrophobicContact CB-CD2 4.24Å; P359-F362 HydrophobicContact CG-CD2 4.22Å; P359-F362 WeakPolarHBondContact O-CB 3.43Å; P359-F362 PolarHBondContact O-N 2.9Å; P359-P478 HydrophobicContact CG-CB 4.04Å; P359-P478 HydrophobicContact CG-CG 3.99Å | ||
| 360 | Q | 95.3 | Very high | 91.6 | Very high | 170 Ų | 170 | 57 Ų | 57 | 79% | 0.794 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -53.3 | -31 | 178.4 | -174.1 | -179.7 | 11.8 | 0 | 0 | 112.9 | F362 E363 | Q360-F362 PolarHBondContact O-N 3.45Å; Q360-E363 WeakPolarHBondContact O-CB 3.45Å; Q360-E363 PolarHBondContact O-N 3.26Å |
| 361 | Q | 95.7 | Very high | 91.2 | Very high | 102 Ų | 102 | 53.6 Ų | 53.6 | 48% | 0.477 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -66.4 | -19.2 | 178.3 | -60.9 | 84.1 | -6.9 | 0 | 0 | 113.7 | P359 F460 V475 | P359-Q361 VanDerWaalsContact CB-OE1 3.27Å; P359-Q361 PolarHBondContact O-N 2.93Å; Q361-F460 WeakPolarHBondContact O-CE1 3.39Å; Q361-V475 HydrophobicContact CB-CG1 4.1Å; Q361-V475 HydrophobicContact CB-CG2 3.93Å; Q361-V475 HydrophobicContact CG-CG2 4.13Å |
| 362 | F | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -93.5 | -0.4 | 174.8 | -75.6 | -109.1 | 0 | 0 | 0 | 112.2 | W358 P359 Q360 K458 F460 V475 V484 V626 S629 T630 | W358-F362 HydrophobicContact CB-CB 4.25Å; W358-F362 HydrophobicContact CG-CB 4.33Å; P359-F362 HydrophobicContact CB-CD2 4.24Å; P359-F362 HydrophobicContact CG-CD2 4.22Å; P359-F362 WeakPolarHBondContact O-CB 3.43Å; P359-F362 PolarHBondContact O-N 2.9Å; Q360-F362 PolarHBondContact O-N 3.45Å; F362-K458 WeakPolarHBondContact O-CB 3.48Å; F362-K458 PolarHBondContact O-N 2.94Å; F362-F460 HydrophobicContact CD1-CE2 4.07Å; F362-F460 AromaticContact CD1-CZ 3.97Å; F362-F460 HydrophobicContact CD1-CZ 3.97Å; F362-F460 HydrophobicContact CD2-CZ 4.06Å; F362-F460 AromaticContact CE1-CE2 3.64Å; F362-F460 HydrophobicContact CE1-CE2 3.64Å; F362-F460 AromaticContact CE1-CZ 3.97Å; F362-F460 HydrophobicContact CE1-CZ 3.97Å; F362-F460 HydrophobicContact CE2-CE2 4.22Å; F362-F460 HydrophobicContact CE2-CZ 4.07Å; F362-F460 HydrophobicContact CG-CZ 4.01Å; F362-F460 AromaticContact CZ-CE2 3.72Å; F362-F460 HydrophobicContact CZ-CE2 3.72Å; F362-F460 HydrophobicContact CZ-CZ 4.02Å; F362-V475 HydrophobicContact CD2-CG1 4.5Å; F362-V475 HydrophobicContact CE2-CG1 3.84Å; F362-V475 HydrophobicContact CZ-CG1 4.42Å; F362-V484 HydrophobicContact CZ-CG2 4.24Å; F362-V626 HydrophobicContact CD1-CG2 4.27Å; F362-V626 HydrophobicContact CE1-CB 4.19Å; F362-V626 HydrophobicContact CE1-CG1 4.2Å; F362-V626 HydrophobicContact CE1-CG2 3.95Å; F362-V626 HydrophobicContact CZ-CG2 4.42Å; F362-S629 VanDerWaalsContact CD1-CB 3.46Å; F362-S629 WeakPolarHBondContact CD1-OG 3.3Å; F362-T630 HydrophobicContact CE1-CG2 4.13Å; F362-T630 HydrophobicContact CZ-CG2 4.46Å |
| 363 | E | 95.8 | Very high | 90.3 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -97.3 | 157.2 | 171.8 | -169 | 49.9 | -100.7 | 0 | 0 | 110.8 | W358 Q360 G457 K458 | W358-E363 PolarHBondContact NE1-OE2 2.82Å; Q360-E363 WeakPolarHBondContact O-CB 3.45Å; Q360-E363 PolarHBondContact O-N 3.26Å; E363-G457 PolarHBondContact OE1-N 2.92Å; E363-G457 PolarHBondContact OE2-N 3.18Å; E363-K458 WeakPolarHBondContact O-CD 3.45Å |
| 364 | K | 91.1 | Very high | 90 | Very high | 30 Ų | 30 | 49.5 Ų | 49.5 | 13% | 0.13 | 26% | 0.256 | C | S | . | . | trans | -58.9 | 140.6 | 175.7 | -66.2 | 175.9 | -177.3 | 170.1 | 0 | 110.3 | T366 G455 G457 | K364-T366 PolarHBondContact O-N 3.06Å; K364-G455 PolarHBondContact NZ-O 3.08Å; K364-G457 WeakPolarHBondContact CE-O 3.47Å; K364-G457 WeakPolarHBondContact CG-O 3.35Å | ||
| 365 | D | 87.9 | Confident | 89.8 | Confident | 125 Ų | 125 | 44.6 Ų | 44.6 | 67% | 0.668 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -61.5 | -30.1 | -176.5 | -60.5 | -36.1 | 0 | 0 | 0 | 112.7 | K458 | D365-K458 IonicContact OD1-NZ 2.81Å; D365-K458 PolarHBondContact OD1-NZ 3.34Å; D365-K458 IonicContact OD2-NZ 3.94Å; D365-K458 PolarHBondContact OD2-NZ 3.38Å |
| 366 | T | 85.6 | Confident | 89.7 | Confident | 97 Ų | 97 | 42 Ų | 42 | 60% | 0.595 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -140.8 | 125.3 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 108.1 | K364 L368 | K364-T366 PolarHBondContact O-N 3.06Å; T366-L368 HydrophobicContact CG2-CD2 4.22Å; T366-L368 PolarHBondContact O-N 3.18Å |
| 367 | F | 83.1 | Confident | 89.7 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | trans | -76.9 | 104.9 | 172.9 | -176.8 | -107.9 | 0 | 0 | 0 | 109.6 | A349 E350 L353 K369 P370 L451 | A349-F367 HydrophobicContact CB-CD1 4.01Å; A349-F367 HydrophobicContact CB-CE1 3.29Å; A349-F367 HydrophobicContact CB-CZ 3.62Å; E350-F367 HydrophobicContact CG-CB 4.43Å; E350-F367 HydrophobicContact CG-CD1 4.21Å; L353-F367 HydrophobicContact CD1-CB 3.85Å; L353-F367 HydrophobicContact CD1-CD1 4.24Å; L353-F367 HydrophobicContact CD1-CD2 3.39Å; L353-F367 HydrophobicContact CD1-CE2 3.93Å; L353-F367 HydrophobicContact CD1-CG 3.54Å; F367-K369 HydrophobicContact CD1-CG 4.09Å; F367-K369 HydrophobicContact CE1-CG 4.15Å; F367-K369 PolarHBondContact O-N 3.03Å; F367-P370 HydrophobicContact CZ-CG 4.41Å; F367-L451 HydrophobicContact CZ-CD1 4.18Å | ||
| 368 | L | 80.7 | Confident | 89.7 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 29% | 0.288 | 21% | 0.209 | S | C | . | . | trans | -76.9 | 104.4 | 174.5 | -59.6 | 177.2 | 0 | 0 | 0 | 108.2 | T366 P370 | T366-L368 HydrophobicContact CG2-CD2 4.22Å; T366-L368 PolarHBondContact O-N 3.18Å; L368-P370 WeakPolarHBondContact O-CD 3.5Å | ||
| 369 | K | 81.7 | Confident | 89.8 | Confident | 104 Ų | 104 | 40.5 Ų | 40.5 | 45% | 0.452 | 21% | 0.206 | S | C | . | . | trans | -55.1 | 109.3 | -178.6 | -69.1 | 178.9 | -177.8 | 176.1 | 0 | 109.7 | V346 E350 F367 | V346-K369 HydrophobicContact CG1-CB 3.99Å; V346-K369 HydrophobicContact CG1-CG 4.36Å; E350-K369 WeakPolarHBondContact OE1-CE 3.14Å; E350-K369 IonicContact OE1-NZ 2.83Å; E350-K369 VanDerWaalsContact OE2-CE 3.26Å; E350-K369 WeakPolarHBondContact OE2-CE 3.29Å; E350-K369 IonicContact OE2-NZ 3.97Å; E350-K369 PolarHBondContact OE2-NZ 3.25Å; F367-K369 HydrophobicContact CD1-CG 4.09Å; F367-K369 HydrophobicContact CE1-CG 4.15Å; F367-K369 PolarHBondContact O-N 3.03Å | ||
| 370 | P | 80 | Confident | 89.9 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | trans | -75.3 | 164.4 | -178.2 | 31.5 | -33.4 | 0 | 0 | 0 | 110.1 | F367 L368 F403 N405 L451 | F367-P370 HydrophobicContact CZ-CG 4.41Å; L368-P370 WeakPolarHBondContact O-CD 3.5Å; P370-F403 WeakPolarHBondContact CA-O 3.39Å; P370-F403 HydrophobicContact CB-CD2 3.84Å; P370-F403 HydrophobicContact CB-CE2 3.73Å; P370-F403 HydrophobicContact CB-CG 4.36Å; P370-F403 HydrophobicContact CB-CZ 4.12Å; P370-F403 WeakPolarHBondContact CB-O 3.4Å; P370-F403 HydrophobicContact CG-CD2 4.37Å; P370-F403 HydrophobicContact CG-CE2 3.75Å; P370-F403 HydrophobicContact CG-CZ 3.97Å; P370-N405 WeakPolarHBondContact CB-OD1 3.26Å; P370-N405 VanDerWaalsContact CG-OD1 3.26Å; P370-N405 WeakPolarHBondContact CG-OD1 3.28Å; P370-L451 HydrophobicContact CG-CD1 3.21Å | ||
| 371 | D | 79.3 | Confident | 90.1 | Very high | 29 Ų | 29 | 30.7 Ų | 30.7 | 16% | 0.155 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 118.3 | 166.1 | -162.5 | 1.8 | 0 | 0 | 0 | 107.7 | K303 G304 K404 N405 | K303-D371 WeakPolarHBondContact CA-OD2 3.16Å; K303-D371 HydrophobicContact CD-CB 3.9Å; G304-D371 PolarHBondContact N-OD2 3.2Å; D371-K404 HydrophobicContact CB-CB 4.35Å; D371-K404 HydrophobicContact CB-CD 4.09Å; D371-K404 HydrophobicContact CB-CG 3.95Å; D371-K404 CarbonylContact O-C 3.42Å; D371-K404 WeakPolarHBondContact O-CA 3.28Å; D371-K404 WeakPolarHBondContact O-CB 3.46Å; D371-N405 PolarHBondContact O-N 2.62Å |
| 372 | F | 83.4 | Confident | 90.1 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 107.5 | 177.5 | -161.8 | 170.6 | 0 | 0 | 0 | 109.9 | F342 L345 V346 N405 G447 E450 L451 | F342-F372 HydrophobicContact CB-CB 3.96Å; F342-F372 HydrophobicContact CB-CD1 3.93Å; F342-F372 HydrophobicContact CB-CD2 4.01Å; F342-F372 HydrophobicContact CB-CG 3.67Å; F342-F372 WeakPolarHBondContact CB-O 3.38Å; F342-F372 AromaticContact CD1-CD1 3.64Å; F342-F372 HydrophobicContact CD1-CD1 3.64Å; F342-F372 AromaticContact CD1-CD2 3.94Å; F342-F372 HydrophobicContact CD1-CD2 3.94Å; F342-F372 AromaticContact CD1-CE1 3.36Å; F342-F372 HydrophobicContact CD1-CE1 3.36Å; F342-F372 AromaticContact CD1-CE2 3.71Å; F342-F372 HydrophobicContact CD1-CE2 3.71Å; F342-F372 AromaticContact CD1-CG 3.96Å; F342-F372 HydrophobicContact CD1-CG 3.96Å; F342-F372 AromaticContact CD1-CZ 3.43Å; F342-F372 HydrophobicContact CD1-CZ 3.43Å; F342-F372 VanDerWaalsContact CD1-CZ 3.43Å; F342-F372 AromaticContact CE1-CE1 3.87Å; F342-F372 HydrophobicContact CE1-CE1 3.87Å; F342-F372 AromaticContact CE1-CE2 3.93Å; F342-F372 HydrophobicContact CE1-CE2 3.93Å; F342-F372 AromaticContact CE1-CZ 3.55Å; F342-F372 HydrophobicContact CE1-CZ 3.55Å; F342-F372 HydrophobicContact CG-CD1 4.1Å; F342-F372 AromaticContact CG-CD2 3.91Å; F342-F372 HydrophobicContact CG-CD2 3.91Å; F342-F372 HydrophobicContact CG-CE1 4.22Å; F342-F372 HydrophobicContact CG-CE2 4.05Å; F342-F372 AromaticContact CG-CG 3.98Å; F342-F372 HydrophobicContact CG-CG 3.98Å; F342-F372 HydrophobicContact CG-CZ 4.23Å; F342-F372 HydrophobicContact CZ-CE2 4.46Å; F342-F372 HydrophobicContact CZ-CZ 4.41Å; L345-F372 HydrophobicContact CD2-CE1 4.3Å; V346-F372 HydrophobicContact CG2-CB 3.54Å; V346-F372 HydrophobicContact CG2-CD1 4.3Å; V346-F372 HydrophobicContact CG2-CG 4.47Å; F372-N405 VanDerWaalsContact CA-O 3.32Å; F372-N405 WeakPolarHBondContact CA-O 3.38Å; F372-N405 HydrophobicContact CB-CB 3.97Å; F372-N405 HydrophobicContact CD1-CB 3.89Å; F372-N405 HydrophobicContact CD2-CB 3.34Å; F372-N405 VanDerWaalsContact CD2-O 3.23Å; F372-N405 WeakPolarHBondContact CD2-O 3.39Å; F372-N405 HydrophobicContact CE1-CB 4.12Å; F372-N405 HydrophobicContact CE2-CB 3.61Å; F372-N405 HydrophobicContact CG-CB 3.47Å; F372-N405 VanDerWaalsContact CG-CB 3.47Å; F372-N405 HydrophobicContact CZ-CB 3.97Å; F372-G447 WeakPolarHBondContact CE1-O 3.37Å; F372-E450 HydrophobicContact CZ-CB 4.11Å; F372-L451 HydrophobicContact CD1-CB 3.86Å; F372-L451 HydrophobicContact CD1-CD1 4.36Å; F372-L451 HydrophobicContact CD1-CD2 4.16Å; F372-L451 HydrophobicContact CD1-CG 4.35Å; F372-L451 HydrophobicContact CE1-CB 3.68Å |
| 373 | T | 85.9 | Confident | 90.1 | Very high | 8 Ų | 8 | 26.7 Ų | 26.7 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 146.9 | -176.4 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | N405 V406 S407 | T373-N405 PolarHBondContact N-O 3.28Å; T373-V406 WeakPolarHBondContact O-CA 3.18Å; T373-S407 PolarHBondContact O-N 2.88Å |
| 374 | S | 86.9 | Confident | 90.1 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.9 | 164.1 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | N335 M338 S339 S407 | N335-S374 WeakPolarHBondContact CB-O 3.47Å; N335-S374 PolarHBondContact N-O 3.49Å; M338-S374 WeakPolarHBondContact CB-OG 3.41Å; S339-S374 PolarHBondContact OG-N 2.75Å; S339-S374 PolarHBondContact OG-O 2.88Å; S374-S407 CarbonylContact C-O 3.5Å; S374-S407 VanDerWaalsContact CA-O 3.31Å; S374-S407 WeakPolarHBondContact CA-O 3.46Å |
| 375 | L | 92.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 148.6 | -174.4 | -49.5 | 177.2 | 0 | 0 | 0 | 110.9 | E308 F330 A332 V333 V334 V406 S407 L408 G409 | E308-L375 HydrophobicContact CB-CD1 3.78Å; E308-L375 HydrophobicContact CB-CD2 4.13Å; E308-L375 HydrophobicContact CG-CD1 3.7Å; F330-L375 HydrophobicContact CE2-CD1 4.24Å; A332-L375 HydrophobicContact CB-CB 3.63Å; A332-L375 HydrophobicContact CB-CD1 3.85Å; A332-L375 HydrophobicContact CB-CG 4.35Å; V333-L375 CarbonylContact O-C 3.5Å; V333-L375 WeakPolarHBondContact O-CA 3.47Å; V334-L375 HydrophobicContact CB-CD2 4.02Å; V334-L375 HydrophobicContact CG2-CD2 4.21Å; L375-V406 HydrophobicContact CB-CG1 4.3Å; L375-V406 HydrophobicContact CD1-CB 4.22Å; L375-V406 HydrophobicContact CD1-CG1 3.35Å; L375-V406 HydrophobicContact CD1-CG2 3.83Å; L375-V406 HydrophobicContact CG-CG1 3.77Å; L375-S407 PolarHBondContact N-O 2.91Å; L375-L408 HydrophobicContact CB-CD2 4.19Å; L375-L408 CarbonylContact O-C 3.6Å; L375-L408 WeakPolarHBondContact O-CA 3.2Å; L375-G409 PolarHBondContact O-N 3.28Å |
| 376 | D | 94.3 | Very high | 90.5 | Very high | 27 Ų | 27 | 22.2 Ų | 22.2 | 14% | 0.144 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115 | 167.8 | -67.5 | -42.9 | 0 | 0 | 0 | 108.7 | A22 A332 V333 N335 L378 N410 | A22-D376 HydrophobicContact CB-CB 3.84Å; A332-D376 WeakPolarHBondContact CA-O 3.29Å; V333-D376 PolarHBondContact N-O 3Å; V333-D376 PolarHBondContact O-N 3.31Å; N335-D376 PolarHBondContact ND2-OD2 3.04Å; D376-L378 PolarHBondContact O-N 3.38Å; D376-N410 HydrophobicContact CB-CB 4.4Å; D376-N410 PolarHBondContact OD1-N 3.44Å |
| 377 | V | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 125.7 | -178 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | L17 C19 F380 L408 N410 V411 | L17-V377 HydrophobicContact CD1-CB 4.32Å; L17-V377 HydrophobicContact CD1-CG1 4.21Å; C19-V377 WeakPolarHBondContact CB-O 3.49Å; V377-F380 HydrophobicContact CG1-CB 3.85Å; V377-L408 HydrophobicContact CG2-CB 4Å; V377-L408 HydrophobicContact CG2-CD1 3.78Å; V377-L408 HydrophobicContact CG2-CD2 3.63Å; V377-L408 HydrophobicContact CG2-CG 3.99Å; V377-N410 PolarHBondContact N-ND2 3.39Å; V377-N410 VanDerWaalsContact N-ND2 3.15Å; V377-N410 PolarHBondContact N-OD1 3.24Å; V377-N410 PolarHBondContact O-ND2 3.16Å; V377-V411 HydrophobicContact CB-CG2 4.4Å; V377-V411 HydrophobicContact CG2-CG2 3.81Å |
| 378 | L | 97.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -45.5 | 166.1 | 176.1 | 64.5 | 0 | 0 | 0 | 110.5 | F23 A34 V331 D376 T676 L700 | F23-L378 HydrophobicContact CD2-CD1 4.23Å; F23-L378 HydrophobicContact CD2-CD2 4.29Å; A34-L378 HydrophobicContact CB-CD2 3.94Å; V331-L378 HydrophobicContact CG1-CD2 4.38Å; V331-L378 WeakPolarHBondContact O-CB 3.4Å; V331-L378 PolarHBondContact O-N 3.27Å; D376-L378 PolarHBondContact O-N 3.38Å; L378-T676 HydrophobicContact CD1-CG2 4.17Å; L378-T676 HydrophobicContact CD2-CG2 4.08Å; L378-T676 HydrophobicContact CG-CG2 4.47Å; L378-L700 HydrophobicContact CD1-CD1 3.52Å |
| 379 | T | 98.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133.2 | 179.4 | -69.5 | 0 | 0 | 0 | 0 | 109 | S38 A41 W42 F330 V331 A381 | S38-T379 WeakPolarHBondContact CB-OG1 3.26Å; S38-T379 PolarHBondContact OG-OG1 3.28Å; A41-T379 HydrophobicContact CB-CG2 3.91Å; W42-T379 HydrophobicContact CD2-CG2 4.23Å; W42-T379 HydrophobicContact CG-CG2 4.38Å; W42-T379 HydrophobicContact CZ2-CG2 3.92Å; W42-T379 PolarHBondContact NE1-OG1 2.78Å; F330-T379 CarbonylContact C-O 3.56Å; F330-T379 WeakPolarHBondContact CA-O 3.33Å; F330-T379 WeakPolarHBondContact CB-O 3.37Å; V331-T379 PolarHBondContact N-O 2.94Å; V331-T379 PolarHBondContact O-N 3.45Å; T379-A381 HydrophobicContact CG2-CB 4.48Å |
| 380 | F | 98.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 11.5 Ų | 11.5 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 99.4 | 163.5 | -158.2 | -63.7 | 0 | 0 | 0 | 107.7 | E328 F330 V377 G384 I385 P386 L408 Q673 | E328-F380 HydrophobicContact CB-CE1 4.29Å; F330-F380 HydrophobicContact CB-CB 4.41Å; F330-F380 HydrophobicContact CB-CD2 3.52Å; F330-F380 HydrophobicContact CB-CE2 3.84Å; F330-F380 HydrophobicContact CB-CG 4.04Å; F330-F380 HydrophobicContact CD1-CE2 4.28Å; F330-F380 HydrophobicContact CG-CD2 4.31Å; F330-F380 HydrophobicContact CG-CE2 4.27Å; V377-F380 HydrophobicContact CG1-CB 3.85Å; F380-G384 VanDerWaalsContact CD1-O 3.27Å; F380-G384 WeakPolarHBondContact CD1-O 3.46Å; F380-G384 VanDerWaalsContact CE1-O 3.29Å; F380-G384 WeakPolarHBondContact CE1-O 3.45Å; F380-I385 HydrophobicContact CB-CD1 4.47Å; F380-I385 HydrophobicContact CB-CG1 4.17Å; F380-I385 HydrophobicContact CB-CG2 4.03Å; F380-I385 HydrophobicContact CD2-CG2 4.15Å; F380-I385 HydrophobicContact CG-CG1 4.48Å; F380-I385 HydrophobicContact CG-CG2 4.03Å; F380-P386 HydrophobicContact CE2-CG 3.62Å; F380-P386 HydrophobicContact CZ-CG 3.65Å; F380-L408 HydrophobicContact CD2-CD1 4.25Å; F380-L408 HydrophobicContact CE2-CD1 4.26Å; F380-Q673 PolarHBondContact O-NE2 2.84Å |
| 381 | A | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A41 W42 E328 G329 T379 | A41-A381 HydrophobicContact CB-CB 3.97Å; A41-A381 WeakPolarHBondContact O-CB 3.33Å; W42-A381 HydrophobicContact CD2-CB 3.87Å; W42-A381 HydrophobicContact CE3-CB 3.53Å; W42-A381 HydrophobicContact CG-CB 4.46Å; W42-A381 HydrophobicContact CH2-CB 4.49Å; W42-A381 HydrophobicContact CZ3-CB 3.89Å; E328-A381 VanDerWaalsContact CA-O 3.3Å; E328-A381 WeakPolarHBondContact CA-O 3.32Å; G329-A381 PolarHBondContact N-O 3.38Å; G329-A381 PolarHBondContact O-N 2.97Å; T379-A381 HydrophobicContact CG2-CB 4.48Å |
| 382 | G | 97.1 | Very high | 93 | Very high | 7 Ų | 7 | 9.7 Ų | 9.7 | 7% | 0.072 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 152.5 | -162.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | M103 | M103-G382 WeakPolarHBondContact CG-O 3.34Š|
| 383 | S | 96.7 | Very high | 93.3 | Very high | 11 Ų | 11 | 11 Ų | 11 | 8% | 0.077 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -82.2 | -17.2 | 179.7 | 73.4 | 0 | 0 | 0 | 0 | 114 | N102 S108 E326 | N102-S383 WeakPolarHBondContact CA-O 3.49Å; S108-S383 WeakPolarHBondContact CB-O 3.49Å; S108-S383 WeakPolarHBondContact CB-OG 3.23Å; S108-S383 PolarHBondContact OG-O 3.48Å; E326-S383 WeakPolarHBondContact OE1-CB 3.49Å; E326-S383 WeakPolarHBondContact OE2-CB 3.38Å; E326-S383 PolarHBondContact OE2-OG 2.83Å |
| 384 | G | 94.2 | Very high | 93.6 | Very high | 27 Ų | 27 | 11.5 Ų | 11.5 | 28% | 0.278 | 8% | 0.077 | S | C | . | . | trans | -164 | 168.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F380 | F380-G384 VanDerWaalsContact CD1-O 3.27Å; F380-G384 WeakPolarHBondContact CD1-O 3.46Å; F380-G384 VanDerWaalsContact CE1-O 3.29Å; F380-G384 WeakPolarHBondContact CE1-O 3.45Å | ||
| 385 | I | 94.8 | Very high | 93.4 | Very high | 13 Ų | 13 | 13 Ų | 13 | 7% | 0.067 | 9% | 0.085 | C | C | . | . | trans | -116.3 | 117.1 | 177.4 | -45.4 | -178 | 0 | 0 | 0 | 107.8 | L17 F380 V411 F671 Q673 | L17-I385 HydrophobicContact CD1-CD1 3.73Å; F380-I385 HydrophobicContact CB-CD1 4.47Å; F380-I385 HydrophobicContact CB-CG1 4.17Å; F380-I385 HydrophobicContact CB-CG2 4.03Å; F380-I385 HydrophobicContact CD2-CG2 4.15Å; F380-I385 HydrophobicContact CG-CG1 4.48Å; F380-I385 HydrophobicContact CG-CG2 4.03Å; I385-V411 HydrophobicContact CG2-CG1 4.11Å; I385-V411 HydrophobicContact CG2-CG2 3.6Å; I385-F671 HydrophobicContact CB-CD2 4.26Å; I385-F671 HydrophobicContact CB-CE2 4.42Å; I385-F671 HydrophobicContact CD1-CB 3.63Å; I385-F671 HydrophobicContact CD1-CD2 3.86Å; I385-F671 HydrophobicContact CD1-CG 3.86Å; I385-F671 HydrophobicContact CG1-CD2 4.21Å; I385-Q673 HydrophobicContact CD1-CG 4.11Å; I385-Q673 VanDerWaalsContact CD1-NE2 3.28Å | ||
| 386 | P | 92.6 | Very high | 93 | Very high | 39 Ų | 39 | 16.5 Ų | 16.5 | 25% | 0.253 | 10% | 0.103 | S | C | . | . | trans | -76.8 | 171.7 | 177.9 | 33.4 | -34.8 | 0 | 0 | 0 | 111.3 | F380 I389 L408 V411 | F380-P386 HydrophobicContact CE2-CG 3.62Å; F380-P386 HydrophobicContact CZ-CG 3.65Å; P386-I389 HydrophobicContact CB-CG2 4.31Å; P386-I389 HydrophobicContact CG-CG2 3.64Å; P386-L408 HydrophobicContact CG-CD1 4.11Å; P386-L408 WeakPolarHBondContact O-CD1 3.16Å; P386-V411 WeakPolarHBondContact O-CG1 3.41Å | ||
| 387 | A | 88.6 | Confident | 92.8 | Very high | 27 Ų | 27 | 15.2 Ų | 15.2 | 22% | 0.223 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -91.3 | -24.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L408 L412 F442 | A387-L408 PolarHBondContact O-N 3.04Å; A387-L412 HydrophobicContact CB-CD2 3.61Å; A387-L412 HydrophobicContact CB-CG 4.45Å; A387-F442 HydrophobicContact CB-CE1 3.89Å; A387-F442 HydrophobicContact CB-CZ 4.36Å |
| 388 | G | 88.4 | Confident | 92.2 | Very high | 9 Ų | 9 | 16.1 Ų | 16.1 | 9% | 0.093 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 165.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V406 | G388-V406 CarbonylContact C-O 3.58Å; G388-V406 WeakPolarHBondContact CA-O 3.5Å |
| 389 | I | 89.3 | Confident | 91.3 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 4% | 0.041 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 146 | 178.6 | 56.7 | 179.5 | 0 | 0 | 0 | 110.5 | F330 P386 I391 V406 E450 | F330-I389 HydrophobicContact CD1-CD1 3.98Å; F330-I389 HydrophobicContact CE1-CD1 3.23Å; F330-I389 HydrophobicContact CE2-CD1 4.44Å; F330-I389 HydrophobicContact CZ-CD1 3.54Å; P386-I389 HydrophobicContact CB-CG2 4.31Å; P386-I389 HydrophobicContact CG-CG2 3.64Å; I389-I391 HydrophobicContact CD1-CD1 3.85Å; I389-I391 HydrophobicContact CD1-CG1 4.12Å; I389-I391 HydrophobicContact CG1-CG1 4.3Å; I389-V406 HydrophobicContact CD1-CB 4.05Å; I389-V406 HydrophobicContact CD1-CG1 4.23Å; I389-V406 HydrophobicContact CD1-CG2 4.3Å; I389-V406 HydrophobicContact CG1-CB 3.51Å; I389-V406 HydrophobicContact CG1-CG1 3.98Å; I389-V406 HydrophobicContact CG1-CG2 4.14Å; I389-V406 PolarHBondContact N-O 2.9Å; I389-V406 PolarHBondContact O-N 3.08Å; I389-E450 VanDerWaalsContact C-OE2 3.23Å |
| 390 | N | 89.4 | Confident | 90.5 | Very high | 9 Ų | 9 | 22.4 Ų | 22.4 | 5% | 0.048 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 103 | 170.4 | 179.9 | -56.6 | 0 | 0 | 0 | 108.9 | R398 F403 N405 E450 H454 | N390-R398 PolarHBondContact OD1-NH2 3.29Å; N390-F403 WeakPolarHBondContact ND2-CD2 3.34Å; N390-F403 WeakPolarHBondContact ND2-CE2 3.43Å; N390-N405 PolarHBondContact ND2-ND2 2.84Å; N390-E450 VanDerWaalsContact CB-OE2 3.25Å; N390-E450 WeakPolarHBondContact CB-OE2 3.48Å; N390-E450 PolarHBondContact N-OE2 3.49Å; N390-E450 PolarHBondContact ND2-O 2.94Å; N390-H454 HydrophobicContact CB-CB 3.97Å; N390-H454 WeakPolarHBondContact ND2-CB 3.48Å |
| 391 | I | 93 | Very high | 90 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 158.7 | -170.5 | 45.3 | 153.6 | 0 | 0 | 0 | 111.6 | W299 Y310 I314 F330 I389 F403 K404 | W299-I391 HydrophobicContact CH2-CD1 3.57Å; W299-I391 HydrophobicContact CH2-CG1 3.64Å; W299-I391 HydrophobicContact CZ2-CD1 3.85Å; W299-I391 HydrophobicContact CZ2-CG1 4.37Å; W299-I391 HydrophobicContact CZ3-CD1 4.32Å; W299-I391 HydrophobicContact CZ3-CG1 4.29Å; W299-I391 WeakPolarHBondContact CZ3-O 3.35Å; Y310-I391 HydrophobicContact CD1-CD1 3.35Å; Y310-I391 HydrophobicContact CD2-CD1 4.32Å; Y310-I391 HydrophobicContact CE1-CB 4.37Å; Y310-I391 HydrophobicContact CE1-CD1 3.88Å; Y310-I391 HydrophobicContact CG-CD1 3.59Å; I314-I391 HydrophobicContact CG2-CG2 4.01Å; F330-I391 HydrophobicContact CE1-CD1 4.04Å; I389-I391 HydrophobicContact CD1-CD1 3.85Å; I389-I391 HydrophobicContact CD1-CG1 4.12Å; I389-I391 HydrophobicContact CG1-CG1 4.3Å; I391-F403 WeakPolarHBondContact O-CB 3.38Å; I391-K404 PolarHBondContact N-O 3.27Å; I391-K404 VanDerWaalsContact N-O 3.15Å; I391-K404 PolarHBondContact O-N 2.86Å |
| 392 | P | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | cis | -75.6 | 163.9 | 1.4 | 35.7 | -38.8 | 0 | 0 | 0 | 113.3 | I300 Y310 Y394 I397 R398 | I300-P392 HydrophobicContact CD1-CG 3.94Å; Y310-P392 WeakPolarHBondContact OH-CB 3.3Å; P392-Y394 HydrophobicContact CB-CD2 3.67Å; P392-Y394 HydrophobicContact CB-CE2 4.26Å; P392-Y394 HydrophobicContact CB-CG 4.47Å; P392-Y394 HydrophobicContact CG-CD2 4.25Å; P392-Y394 PolarHBondContact O-N 2.86Å; P392-I397 HydrophobicContact CG-CB 4.47Å; P392-I397 HydrophobicContact CG-CG2 3.97Å; P392-R398 WeakPolarHBondContact O-CD 3.4Å; P392-R398 VanDerWaalsContact O-CG 3.23Å; P392-R398 WeakPolarHBondContact O-CG 3.44Å | ||
| 393 | N | 90.6 | Very high | 89.1 | Confident | 33 Ų | 33 | 25.3 Ų | 25.3 | 18% | 0.176 | 15% | 0.151 | C | C | . | . | trans | -77.7 | 0.5 | 175.6 | -71.4 | -23.4 | 0 | 0 | 0 | 114.2 | I314 E315 D395 | I314-N393 PolarHBondContact O-ND2 2.85Å; E315-N393 PolarHBondContact OE2-ND2 3.34Å; N393-D395 PolarHBondContact O-N 3.01Å | ||
| 394 | Y | 91.6 | Very high | 88.9 | Confident | 18 Ų | 18 | 24.8 Ų | 24.8 | 7% | 0.071 | 15% | 0.147 | C | C | . | . | trans | -77.9 | 99.8 | -179.7 | -55.7 | -57.6 | 0 | 0 | 0 | 112.1 | Y196 I289 H292 K293 P392 D396 I397 R398 | Y196-Y394 AromaticContact CD2-CE1 3.85Å; Y196-Y394 HydrophobicContact CD2-CE1 3.85Å; Y196-Y394 HydrophobicContact CE2-CD1 4.24Å; Y196-Y394 AromaticContact CE2-CE1 3.9Å; Y196-Y394 HydrophobicContact CE2-CE1 3.9Å; I289-Y394 HydrophobicContact CG2-CE1 3.83Å; H292-Y394 AromaticContact ND1-CE2 3.51Å; H292-Y394 AromaticContact ND1-CZ 3.68Å; H292-Y394 PolarHBondContact ND1-OH 2.89Å; K293-Y394 HydrophobicContact CB-CD2 4.46Å; K293-Y394 HydrophobicContact CB-CE2 4.47Å; K293-Y394 HydrophobicContact CD-CD1 4.03Å; K293-Y394 HydrophobicContact CD-CE1 4.26Å; K293-Y394 HydrophobicContact CD-CG 4.22Å; K293-Y394 HydrophobicContact CG-CD1 3.79Å; K293-Y394 HydrophobicContact CG-CD2 3.56Å; K293-Y394 HydrophobicContact CG-CE1 3.84Å; K293-Y394 HydrophobicContact CG-CE2 3.6Å; K293-Y394 HydrophobicContact CG-CG 3.66Å; P392-Y394 HydrophobicContact CB-CD2 3.67Å; P392-Y394 HydrophobicContact CB-CE2 4.26Å; P392-Y394 HydrophobicContact CB-CG 4.47Å; P392-Y394 HydrophobicContact CG-CD2 4.25Å; P392-Y394 PolarHBondContact O-N 2.86Å; Y394-D396 VanDerWaalsContact C-N 3.25Å; Y394-D396 PolarHBondContact O-N 2.99Å; Y394-I397 HydrophobicContact CD2-CD1 3.92Å; Y394-I397 HydrophobicContact CG-CD1 4.25Å; Y394-I397 WeakPolarHBondContact O-CB 3.42Å; Y394-I397 PolarHBondContact O-N 3.28Å; Y394-R398 WeakPolarHBondContact O-CG 3.39Å; Y394-R398 PolarHBondContact O-N 2.93Å | ||
| 395 | D | 82.6 | Confident | 88.6 | Confident | 33 Ų | 33 | 23.5 Ų | 23.5 | 18% | 0.176 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.7 | -33.7 | -175.4 | -78.9 | -40.6 | 0 | 0 | 0 | 114.4 | N393 I397 R398 Q399 L459 | N393-D395 PolarHBondContact O-N 3.01Å; D395-I397 VanDerWaalsContact C-N 3.34Å; D395-I397 PolarHBondContact O-N 3.08Å; D395-R398 PolarHBondContact O-N 3.41Å; D395-R398 IonicContact OD1-NH1 3.38Å; D395-Q399 WeakPolarHBondContact O-CB 3.49Å; D395-Q399 VanDerWaalsContact O-CG 3.26Å; D395-Q399 WeakPolarHBondContact O-CG 3.42Å; D395-Q399 PolarHBondContact O-N 3.17Å; D395-L459 HydrophobicContact CB-CD1 4.38Å |
| 396 | D | 83.9 | Confident | 88.3 | Confident | 74 Ų | 74 | 22.9 Ų | 22.9 | 40% | 0.396 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 176.1 | 63.7 | -29.2 | 0 | 0 | 0 | 111.7 | K293 Y394 S400 | K293-D396 WeakPolarHBondContact CE-OD1 3.27Å; K293-D396 WeakPolarHBondContact CE-OD2 3.44Å; K293-D396 IonicContact NZ-OD1 3.65Å; K293-D396 IonicContact NZ-OD2 3.1Å; K293-D396 PolarHBondContact NZ-OD2 3.37Å; Y394-D396 VanDerWaalsContact C-N 3.25Å; Y394-D396 PolarHBondContact O-N 2.99Å; D396-S400 WeakPolarHBondContact O-CB 3.3Å; D396-S400 PolarHBondContact O-N 3.2Å; D396-S400 PolarHBondContact O-OG 2.95Å |
| 397 | I | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.3 | -45 | 174.2 | -66.5 | 173.4 | 0 | 0 | 0 | 110.6 | K293 R297 I300 P392 Y394 D395 Q399 S400 E401 G402 | K293-I397 HydrophobicContact CB-CD1 3.8Å; K293-I397 HydrophobicContact CG-CD1 4Å; R297-I397 HydrophobicContact CG-CD1 4.06Å; R297-I397 HydrophobicContact CG-CG1 4.34Å; I300-I397 HydrophobicContact CD1-CG2 3.18Å; P392-I397 HydrophobicContact CG-CB 4.47Å; P392-I397 HydrophobicContact CG-CG2 3.97Å; Y394-I397 HydrophobicContact CD2-CD1 3.92Å; Y394-I397 HydrophobicContact CG-CD1 4.25Å; Y394-I397 WeakPolarHBondContact O-CB 3.42Å; Y394-I397 PolarHBondContact O-N 3.28Å; D395-I397 VanDerWaalsContact C-N 3.34Å; D395-I397 PolarHBondContact O-N 3.08Å; I397-Q399 PolarHBondContact O-N 2.89Å; I397-S400 PolarHBondContact O-N 3.45Å; I397-E401 HydrophobicContact CG2-CB 4.24Å; I397-E401 PolarHBondContact O-N 3.44Å; I397-G402 PolarHBondContact O-N 2.73Å |
| 398 | R | 86.1 | Confident | 88.2 | Confident | 20 Ų | 20 | 19.8 Ų | 19.8 | 8% | 0.075 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.2 | -32 | -179 | -63.9 | 175 | 84.7 | -158 | 4.9 | 113.1 | N390 P392 Y394 D395 G402 F403 H454 | N390-R398 PolarHBondContact OD1-NH2 3.29Å; P392-R398 WeakPolarHBondContact O-CD 3.4Å; P392-R398 VanDerWaalsContact O-CG 3.23Å; P392-R398 WeakPolarHBondContact O-CG 3.44Å; Y394-R398 WeakPolarHBondContact O-CG 3.39Å; Y394-R398 PolarHBondContact O-N 2.93Å; D395-R398 PolarHBondContact O-N 3.41Å; D395-R398 IonicContact OD1-NH1 3.38Å; R398-G402 WeakPolarHBondContact CA-O 3.37Å; R398-F403 HydrophobicContact CB-CD1 4.45Å; R398-F403 HydrophobicContact CG-CB 4.38Å; R398-H454 PolarHBondContact NH2-O 2.92Å |
| 399 | Q | 77.5 | Confident | 88.2 | Confident | 57 Ų | 57 | 20.4 Ų | 20.4 | 27% | 0.266 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -82.7 | -34.8 | 178.4 | -71.2 | -180 | 33.9 | 0 | 0 | 113.1 | D395 I397 | D395-Q399 WeakPolarHBondContact O-CB 3.49Å; D395-Q399 VanDerWaalsContact O-CG 3.26Å; D395-Q399 WeakPolarHBondContact O-CG 3.42Å; D395-Q399 PolarHBondContact O-N 3.17Å; I397-Q399 PolarHBondContact O-N 2.89Å |
| 400 | S | 82.6 | Confident | 88.3 | Confident | 81 Ų | 81 | 20.6 Ų | 20.6 | 57% | 0.566 | 12% | 0.115 | S | C | * | . | H | α-helix | trans | -105 | -28.2 | -169.9 | 64.5 | 0 | 0 | 0 | 0 | 115.3 | D396 I397 | D396-S400 WeakPolarHBondContact O-CB 3.3Å; D396-S400 PolarHBondContact O-N 3.2Å; D396-S400 PolarHBondContact O-OG 2.95Å; I397-S400 PolarHBondContact O-N 3.45Å |
| 401 | E | 87.6 | Confident | 88.4 | Confident | 67 Ų | 67 | 20.4 Ų | 20.4 | 31% | 0.313 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -32.9 | -173.8 | -67.2 | -176.7 | -108.4 | 0 | 0 | 113 | R297 K301 I397 | R297-E401 WeakPolarHBondContact CD-OE1 3.5Å; R297-E401 WeakPolarHBondContact CD-OE2 3.49Å; R297-E401 VanDerWaalsContact CG-OE1 3.28Å; R297-E401 WeakPolarHBondContact CG-OE1 3.33Å; R297-E401 WeakPolarHBondContact CG-OE2 3.26Å; R297-E401 IonicContact NE-OE1 2.67Å; R297-E401 PolarHBondContact NE-OE1 2.82Å; K301-E401 IonicContact NZ-OE2 3.53Å; K301-E401 PolarHBondContact NZ-OE2 3.16Å; I397-E401 HydrophobicContact CG2-CB 4.24Å; I397-E401 PolarHBondContact O-N 3.44Å |
| 402 | G | 87.3 | Confident | 88 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | trans | 123.3 | -165.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I300 I397 R398 | I300-G402 VanDerWaalsContact CD1-O 3.27Å; I300-G402 WeakPolarHBondContact CD1-O 3.37Å; I397-G402 PolarHBondContact O-N 2.73Å; R398-G402 WeakPolarHBondContact CA-O 3.37Å | ||
| 403 | F | 90.3 | Very high | 87.4 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | trans | -153.1 | 172.9 | -178.6 | 52.1 | -82.5 | 0 | 0 | 0 | 109.3 | P370 N390 I391 R398 N405 | P370-F403 WeakPolarHBondContact CA-O 3.39Å; P370-F403 HydrophobicContact CB-CD2 3.84Å; P370-F403 HydrophobicContact CB-CE2 3.73Å; P370-F403 HydrophobicContact CB-CG 4.36Å; P370-F403 HydrophobicContact CB-CZ 4.12Å; P370-F403 WeakPolarHBondContact CB-O 3.4Å; P370-F403 HydrophobicContact CG-CD2 4.37Å; P370-F403 HydrophobicContact CG-CE2 3.75Å; P370-F403 HydrophobicContact CG-CZ 3.97Å; N390-F403 WeakPolarHBondContact ND2-CD2 3.34Å; N390-F403 WeakPolarHBondContact ND2-CE2 3.43Å; I391-F403 WeakPolarHBondContact O-CB 3.38Å; R398-F403 HydrophobicContact CB-CD1 4.45Å; R398-F403 HydrophobicContact CG-CB 4.38Å; F403-N405 WeakPolarHBondContact CE2-OD1 3.34Å | ||
| 404 | K | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 149.2 | 164.9 | -49.2 | -171.2 | -175.7 | 164.5 | 0 | 110.6 | W299 D302 E308 D371 I391 | W299-K404 HydrophobicContact CD2-CD 4.35Å; W299-K404 HydrophobicContact CE3-CD 4.48Å; W299-K404 HydrophobicContact CE3-CG 4.38Å; W299-K404 HydrophobicContact CH2-CB 3.47Å; W299-K404 VanDerWaalsContact CH2-CB 3.47Å; W299-K404 HydrophobicContact CH2-CD 3.64Å; W299-K404 HydrophobicContact CH2-CG 3.5Å; W299-K404 VanDerWaalsContact CH2-CG 3.5Å; W299-K404 HydrophobicContact CZ2-CB 4.07Å; W299-K404 HydrophobicContact CZ2-CD 3.49Å; W299-K404 VanDerWaalsContact CZ2-CD 3.49Å; W299-K404 HydrophobicContact CZ2-CG 3.94Å; W299-K404 HydrophobicContact CZ3-CB 4.06Å; W299-K404 HydrophobicContact CZ3-CD 4.13Å; W299-K404 HydrophobicContact CZ3-CG 3.73Å; W299-K404 WeakPolarHBondContact O-CE 3.37Å; W299-K404 PolarHBondContact O-NZ 2.74Å; D302-K404 WeakPolarHBondContact O-CE 3.42Å; D302-K404 PolarHBondContact O-NZ 2.95Å; E308-K404 IonicContact OE1-NZ 3.86Å; E308-K404 PolarHBondContact OE1-NZ 3.24Å; E308-K404 WeakPolarHBondContact OE2-CD 3.34Å; E308-K404 IonicContact OE2-NZ 2.72Å; E308-K404 PolarHBondContact OE2-NZ 2.68Å; D371-K404 HydrophobicContact CB-CB 4.35Å; D371-K404 HydrophobicContact CB-CD 4.09Å; D371-K404 HydrophobicContact CB-CG 3.95Å; D371-K404 CarbonylContact O-C 3.42Å; D371-K404 WeakPolarHBondContact O-CA 3.28Å; D371-K404 WeakPolarHBondContact O-CB 3.46Å; I391-K404 PolarHBondContact N-O 3.27Å; I391-K404 VanDerWaalsContact N-O 3.15Å; I391-K404 PolarHBondContact O-N 2.86Å |
| 405 | N | 87.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.9 | 172 | -64.9 | 106.5 | 0 | 0 | 0 | 108.6 | P370 D371 F372 T373 N390 F403 E450 L451 | P370-N405 WeakPolarHBondContact CB-OD1 3.26Å; P370-N405 VanDerWaalsContact CG-OD1 3.26Å; P370-N405 WeakPolarHBondContact CG-OD1 3.28Å; D371-N405 PolarHBondContact O-N 2.62Å; F372-N405 VanDerWaalsContact CA-O 3.32Å; F372-N405 WeakPolarHBondContact CA-O 3.38Å; F372-N405 HydrophobicContact CB-CB 3.97Å; F372-N405 HydrophobicContact CD1-CB 3.89Å; F372-N405 HydrophobicContact CD2-CB 3.34Å; F372-N405 VanDerWaalsContact CD2-O 3.23Å; F372-N405 WeakPolarHBondContact CD2-O 3.39Å; F372-N405 HydrophobicContact CE1-CB 4.12Å; F372-N405 HydrophobicContact CE2-CB 3.61Å; F372-N405 HydrophobicContact CG-CB 3.47Å; F372-N405 VanDerWaalsContact CG-CB 3.47Å; F372-N405 HydrophobicContact CZ-CB 3.97Å; T373-N405 PolarHBondContact N-O 3.28Å; N390-N405 PolarHBondContact ND2-ND2 2.84Å; F403-N405 WeakPolarHBondContact CE2-OD1 3.34Å; N405-E450 HydrophobicContact CB-CB 4.4Å; N405-E450 PolarHBondContact ND2-O 2.88Å; N405-L451 WeakPolarHBondContact OD1-CD1 3.22Å |
| 406 | V | 88.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 134.5 | -179.1 | 166.3 | 0 | 0 | 0 | 0 | 109.1 | T373 L375 G388 I389 L408 | T373-V406 WeakPolarHBondContact O-CA 3.18Å; L375-V406 HydrophobicContact CB-CG1 4.3Å; L375-V406 HydrophobicContact CD1-CB 4.22Å; L375-V406 HydrophobicContact CD1-CG1 3.35Å; L375-V406 HydrophobicContact CD1-CG2 3.83Å; L375-V406 HydrophobicContact CG-CG1 3.77Å; G388-V406 CarbonylContact C-O 3.58Å; G388-V406 WeakPolarHBondContact CA-O 3.5Å; I389-V406 HydrophobicContact CD1-CB 4.05Å; I389-V406 HydrophobicContact CD1-CG1 4.23Å; I389-V406 HydrophobicContact CD1-CG2 4.3Å; I389-V406 HydrophobicContact CG1-CB 3.51Å; I389-V406 HydrophobicContact CG1-CG1 3.98Å; I389-V406 HydrophobicContact CG1-CG2 4.14Å; I389-V406 PolarHBondContact N-O 2.9Å; I389-V406 PolarHBondContact O-N 3.08Å; V406-L408 HydrophobicContact CG1-CD2 3.42Å; V406-L408 VanDerWaalsContact CG1-CD2 3.42Å; V406-L408 HydrophobicContact CG1-CG 4.18Å |
| 407 | S | 88.9 | Confident | 84.7 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.3 | 169.4 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | T373 S374 L375 G409 L412 | T373-S407 PolarHBondContact O-N 2.88Å; S374-S407 CarbonylContact C-O 3.5Å; S374-S407 VanDerWaalsContact CA-O 3.31Å; S374-S407 WeakPolarHBondContact CA-O 3.46Å; L375-S407 PolarHBondContact N-O 2.91Å; S407-G409 PolarHBondContact O-N 3.36Å; S407-L412 WeakPolarHBondContact OG-CD1 3.41Å |
| 408 | L | 91.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 86.6 | -174.5 | -58.8 | -178.7 | 0 | 0 | 0 | 110.5 | L375 V377 F380 P386 A387 V406 N410 V411 L412 | L375-L408 HydrophobicContact CB-CD2 4.19Å; L375-L408 CarbonylContact O-C 3.6Å; L375-L408 WeakPolarHBondContact O-CA 3.2Å; V377-L408 HydrophobicContact CG2-CB 4Å; V377-L408 HydrophobicContact CG2-CD1 3.78Å; V377-L408 HydrophobicContact CG2-CD2 3.63Å; V377-L408 HydrophobicContact CG2-CG 3.99Å; F380-L408 HydrophobicContact CD2-CD1 4.25Å; F380-L408 HydrophobicContact CE2-CD1 4.26Å; P386-L408 HydrophobicContact CG-CD1 4.11Å; P386-L408 WeakPolarHBondContact O-CD1 3.16Å; A387-L408 PolarHBondContact O-N 3.04Å; V406-L408 HydrophobicContact CG1-CD2 3.42Å; V406-L408 VanDerWaalsContact CG1-CD2 3.42Å; V406-L408 HydrophobicContact CG1-CG 4.18Å; L408-N410 PolarHBondContact O-N 2.95Å; L408-V411 HydrophobicContact CB-CB 4.04Å; L408-V411 HydrophobicContact CB-CG2 3.83Å; L408-V411 HydrophobicContact CD1-CG2 4.45Å; L408-V411 WeakPolarHBondContact O-CB 3.49Å; L408-V411 PolarHBondContact O-N 3.41Å; L408-V411 VanDerWaalsContact O-N 3.13Å; L408-L412 WeakPolarHBondContact O-CG 3.35Å; L408-L412 PolarHBondContact O-N 3.13Å |
| 409 | G | 88.2 | Confident | 83.5 | Confident | 21 Ų | 21 | 30.8 Ų | 30.8 | 22% | 0.216 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L375 S407 V411 L412 A413 | L375-G409 PolarHBondContact O-N 3.28Å; S407-G409 PolarHBondContact O-N 3.36Å; G409-V411 VanDerWaalsContact C-N 3.32Å; G409-V411 PolarHBondContact O-N 2.99Å; G409-L412 WeakPolarHBondContact O-CB 3.28Å; G409-L412 PolarHBondContact O-N 3.34Å; G409-A413 PolarHBondContact O-N 2.91Å |
| 410 | N | 90.4 | Very high | 83.8 | Confident | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.064 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.8 | -25.5 | 177.7 | 65.5 | -13.6 | 0 | 0 | 0 | 114 | D18 D376 V377 L408 | D18-N410 VanDerWaalsContact O-CB 3.29Å; D18-N410 WeakPolarHBondContact O-CB 3.36Å; D18-N410 PolarHBondContact O-ND2 2.76Å; D376-N410 HydrophobicContact CB-CB 4.4Å; D376-N410 PolarHBondContact OD1-N 3.44Å; V377-N410 PolarHBondContact N-ND2 3.39Å; V377-N410 VanDerWaalsContact N-ND2 3.15Å; V377-N410 PolarHBondContact N-OD1 3.24Å; V377-N410 PolarHBondContact O-ND2 3.16Å; L408-N410 PolarHBondContact O-N 2.95Å |
| 411 | V | 91.5 | Very high | 83.9 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.9 | -44.5 | 171.9 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | L17 V377 I385 P386 L408 G409 A413 V414 A415 F671 | L17-V411 HydrophobicContact CD1-CG2 4.24Å; L17-V411 HydrophobicContact CD2-CG2 4.06Å; V377-V411 HydrophobicContact CB-CG2 4.4Å; V377-V411 HydrophobicContact CG2-CG2 3.81Å; I385-V411 HydrophobicContact CG2-CG1 4.11Å; I385-V411 HydrophobicContact CG2-CG2 3.6Å; P386-V411 WeakPolarHBondContact O-CG1 3.41Å; L408-V411 HydrophobicContact CB-CB 4.04Å; L408-V411 HydrophobicContact CB-CG2 3.83Å; L408-V411 HydrophobicContact CD1-CG2 4.45Å; L408-V411 WeakPolarHBondContact O-CB 3.49Å; L408-V411 PolarHBondContact O-N 3.41Å; L408-V411 VanDerWaalsContact O-N 3.13Å; G409-V411 VanDerWaalsContact C-N 3.32Å; G409-V411 PolarHBondContact O-N 2.99Å; V411-A413 VanDerWaalsContact C-N 3.34Å; V411-A413 PolarHBondContact O-N 3.31Å; V411-V414 PolarHBondContact O-N 3.42Å; V411-A415 PolarHBondContact O-N 2.88Å; V411-F671 HydrophobicContact CG1-CE1 4.14Å; V411-F671 HydrophobicContact CG1-CE2 4.38Å; V411-F671 HydrophobicContact CG1-CZ 3.76Å |
| 412 | L | 84.6 | Confident | 83.7 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -46.4 | 175.4 | -75.3 | -179.2 | 0 | 0 | 0 | 112 | A387 S407 L408 G409 V414 A415 Y416 F442 | A387-L412 HydrophobicContact CB-CD2 3.61Å; A387-L412 HydrophobicContact CB-CG 4.45Å; S407-L412 WeakPolarHBondContact OG-CD1 3.41Å; L408-L412 WeakPolarHBondContact O-CG 3.35Å; L408-L412 PolarHBondContact O-N 3.13Å; G409-L412 WeakPolarHBondContact O-CB 3.28Å; G409-L412 PolarHBondContact O-N 3.34Å; L412-V414 PolarHBondContact O-N 3.02Å; L412-V414 VanDerWaalsContact O-N 3.17Å; L412-A415 WeakPolarHBondContact O-CB 3.26Å; L412-A415 PolarHBondContact O-N 3.4Å; L412-Y416 HydrophobicContact CB-CE1 4.41Å; L412-Y416 HydrophobicContact CB-CE2 3.8Å; L412-Y416 HydrophobicContact CD2-CE1 4.25Å; L412-Y416 WeakPolarHBondContact CD2-OH 3.43Å; L412-Y416 WeakPolarHBondContact O-CD1 3.42Å; L412-Y416 WeakPolarHBondContact O-CD2 3.42Å; L412-Y416 WeakPolarHBondContact O-CE2 3.22Å; L412-Y416 PolarHBondContact O-N 3.39Å; L412-Y416 VanDerWaalsContact O-N 3.17Å; L412-F442 HydrophobicContact CD2-CD1 3.4Å; L412-F442 HydrophobicContact CD2-CE1 3.32Å |
| 413 | A | 83.6 | Confident | 83.9 | Confident | 60 Ų | 60 | 33.8 Ų | 33.8 | 50% | 0.496 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -53.3 | -38.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | G409 V411 | G409-A413 PolarHBondContact O-N 2.91Å; V411-A413 VanDerWaalsContact C-N 3.34Å; V411-A413 PolarHBondContact O-N 3.31Å |
| 414 | V | 83.2 | Confident | 84 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.1 | -38.1 | 177.6 | 172 | 0 | 0 | 0 | 0 | 112.4 | L17 V411 L412 Y416 A417 K669 F671 | L17-V414 HydrophobicContact CD2-CG2 4.28Å; V411-V414 PolarHBondContact O-N 3.42Å; L412-V414 PolarHBondContact O-N 3.02Å; L412-V414 VanDerWaalsContact O-N 3.17Å; V414-Y416 PolarHBondContact O-N 3.15Å; V414-A417 PolarHBondContact O-N 2.91Å; V414-K669 HydrophobicContact CG1-CD 4.35Å; V414-K669 PolarHBondContact O-NZ 2.8Å; V414-F671 HydrophobicContact CB-CE1 3.72Å; V414-F671 HydrophobicContact CG1-CD1 4.09Å; V414-F671 HydrophobicContact CG1-CE1 3.44Å; V414-F671 VanDerWaalsContact CG1-CE1 3.44Å; V414-F671 HydrophobicContact CG1-CZ 4.27Å; V414-F671 HydrophobicContact CG2-CE1 4.24Å |
| 415 | A | 72.8 | Confident | 84.2 | Confident | 48 Ų | 48 | 35.1 Ų | 35.1 | 40% | 0.397 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.9 | -23.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V411 L412 K438 | V411-A415 PolarHBondContact O-N 2.88Å; L412-A415 WeakPolarHBondContact O-CB 3.26Å; L412-A415 PolarHBondContact O-N 3.4Å; A415-K438 PolarHBondContact O-NZ 2.95Å |
| 416 | Y | 66.8 | Low | 84.6 | Confident | 60 Ų | 60 | 35.8 Ų | 35.8 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -82.9 | -21.1 | -178.4 | -56.3 | -26.7 | 0 | 0 | 0 | 114.5 | L412 V414 T418 G439 F442 | L412-Y416 HydrophobicContact CB-CE1 4.41Å; L412-Y416 HydrophobicContact CB-CE2 3.8Å; L412-Y416 HydrophobicContact CD2-CE1 4.25Å; L412-Y416 WeakPolarHBondContact CD2-OH 3.43Å; L412-Y416 WeakPolarHBondContact O-CD1 3.42Å; L412-Y416 WeakPolarHBondContact O-CD2 3.42Å; L412-Y416 WeakPolarHBondContact O-CE2 3.22Å; L412-Y416 PolarHBondContact O-N 3.39Å; L412-Y416 VanDerWaalsContact O-N 3.17Å; V414-Y416 PolarHBondContact O-N 3.15Å; Y416-T418 PolarHBondContact O-N 3.41Å; Y416-G439 PolarHBondContact OH-O 3.14Å; Y416-F442 HydrophobicContact CE1-CB 3.83Å; Y416-F442 AromaticContact CE1-CD1 3.81Å; Y416-F442 HydrophobicContact CE1-CD1 3.81Å; Y416-F442 HydrophobicContact CE1-CG 4.08Å |
| 417 | A | 67.7 | Low | 84.8 | Confident | 63 Ų | 63 | 37.9 Ų | 37.9 | 52% | 0.521 | 22% | 0.215 | S | C | . | . | trans | -72.4 | 88.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V414 K669 | V414-A417 PolarHBondContact O-N 2.91Å; A417-K669 PolarHBondContact O-NZ 3.3Å | ||
| 418 | T | 70.9 | Confident | 85 | Confident | 38 Ų | 38 | 42.6 Ų | 42.6 | 23% | 0.233 | 24% | 0.236 | C | C | . | . | trans | -118.9 | 130.9 | 175 | -51.9 | 0 | 0 | 0 | 0 | 109.3 | Y416 K422 L423 K438 | Y416-T418 PolarHBondContact O-N 3.41Å; T418-K422 HydrophobicContact CG2-CB 4.22Å; T418-L423 HydrophobicContact CG2-CD2 3.62Å; T418-L423 HydrophobicContact CG2-CG 4.13Å; T418-K438 PolarHBondContact OG1-NZ 3.28Å | ||
| 419 | Q | 79.8 | Confident | 85.1 | Confident | 100 Ų | 100 | 49.7 Ų | 49.7 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | trans | -79 | 151.1 | 175.8 | -57.7 | 169 | -60.2 | 0 | 0 | 109.9 | E421 K422 | Q419-E421 VanDerWaalsContact C-N 3.33Å; Q419-E421 HydrophobicContact CB-CG 4.39Å; Q419-E421 WeakPolarHBondContact CB-OE1 3.35Å; Q419-E421 WeakPolarHBondContact CB-OE2 3.38Å; Q419-E421 VanDerWaalsContact CD-OE1 3.24Å; Q419-E421 PolarHBondContact O-N 3.47Å; Q419-E421 PolarHBondContact OE1-OE1 3.02Å; Q419-K422 HydrophobicContact CB-CB 4.47Å; Q419-K422 HydrophobicContact CB-CD 4.31Å; Q419-K422 HydrophobicContact CB-CG 4.13Å; Q419-K422 WeakPolarHBondContact O-CB 3.03Å; Q419-K422 PolarHBondContact O-N 2.72Å; Q419-K422 VanDerWaalsContact O-N 3.1Å; Q419-K422 VanDerWaalsContact OE1-NZ 3.08Å | ||
| 420 | K | 85.1 | Confident | 85.4 | Confident | 62 Ų | 62 | 49.1 Ų | 49.1 | 27% | 0.27 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -63.7 | -40 | -173 | -174.7 | 172.9 | 178.7 | 169.8 | 0 | 112.4 | K422 L423 E428 K431 D432 I435 | K420-K422 PolarHBondContact O-N 2.97Å; K420-L423 WeakPolarHBondContact O-CB 3.33Å; K420-L423 PolarHBondContact O-N 3.36Å; K420-E428 VanDerWaalsContact CE-OE1 3.23Å; K420-E428 WeakPolarHBondContact CE-OE1 3.5Å; K420-E428 IonicContact NZ-OE1 3.12Å; K420-K431 HydrophobicContact CG-CB 4.11Å; K420-K431 HydrophobicContact CG-CD 4.07Å; K420-D432 WeakPolarHBondContact CD-OD1 3.26Å; K420-D432 VanDerWaalsContact CE-OD1 3.29Å; K420-D432 WeakPolarHBondContact CE-OD1 3.36Å; K420-D432 IonicContact NZ-OD1 2.75Å; K420-D432 PolarHBondContact NZ-OD1 2.95Å; K420-D432 IonicContact NZ-OD2 2.87Å; K420-D432 PolarHBondContact NZ-OD2 3.03Å; K420-I435 HydrophobicContact CB-CD1 3.63Å; K420-I435 HydrophobicContact CD-CD1 4.46Å; K420-I435 HydrophobicContact CG-CD1 3.96Å |
| 421 | E | 82.9 | Confident | 85.6 | Confident | 134 Ų | 134 | 50 Ų | 50 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -62.5 | -22.5 | 177.3 | 65.3 | -82.1 | -168.3 | 0 | 0 | 113.2 | Q419 | Q419-E421 VanDerWaalsContact C-N 3.33Å; Q419-E421 HydrophobicContact CB-CG 4.39Å; Q419-E421 WeakPolarHBondContact CB-OE1 3.35Å; Q419-E421 WeakPolarHBondContact CB-OE2 3.38Å; Q419-E421 VanDerWaalsContact CD-OE1 3.24Å; Q419-E421 PolarHBondContact O-N 3.47Å; Q419-E421 PolarHBondContact OE1-OE1 3.02Å |
| 422 | K | 85.3 | Confident | 85.8 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -86.2 | -7.1 | 179.9 | -67 | -162.4 | 167.4 | 170.8 | 0 | 113.9 | T418 Q419 K420 T424 E666 | T418-K422 HydrophobicContact CG2-CB 4.22Å; Q419-K422 HydrophobicContact CB-CB 4.47Å; Q419-K422 HydrophobicContact CB-CD 4.31Å; Q419-K422 HydrophobicContact CB-CG 4.13Å; Q419-K422 WeakPolarHBondContact O-CB 3.03Å; Q419-K422 PolarHBondContact O-N 2.72Å; Q419-K422 VanDerWaalsContact O-N 3.1Å; Q419-K422 VanDerWaalsContact OE1-NZ 3.08Å; K420-K422 PolarHBondContact O-N 2.97Å; K422-T424 VanDerWaalsContact C-N 3.35Å; K422-T424 PolarHBondContact O-N 3.18Å; K422-E666 VanDerWaalsContact CA-OE1 3.28Å; K422-E666 WeakPolarHBondContact CA-OE1 3.34Å; K422-E666 WeakPolarHBondContact CB-OE1 3.3Å; K422-E666 WeakPolarHBondContact CB-OE2 3.19Å; K422-E666 VanDerWaalsContact CD-OE1 3.27Å; K422-E666 WeakPolarHBondContact CD-OE1 3.32Å; K422-E666 WeakPolarHBondContact CG-OE1 3.5Å |
| 423 | L | 90.1 | Very high | 86.3 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | trans | -81.5 | 79.1 | 177.9 | -67.9 | 179.7 | 0 | 0 | 0 | 111.7 | T418 K420 L426 K431 F434 I435 | T418-L423 HydrophobicContact CG2-CD2 3.62Å; T418-L423 HydrophobicContact CG2-CG 4.13Å; K420-L423 WeakPolarHBondContact O-CB 3.33Å; K420-L423 PolarHBondContact O-N 3.36Å; L423-L426 HydrophobicContact CB-CD1 4.36Å; L423-K431 HydrophobicContact CB-CD 4.14Å; L423-K431 HydrophobicContact CB-CG 4.13Å; L423-K431 HydrophobicContact CD1-CB 4.07Å; L423-K431 HydrophobicContact CD1-CG 4.16Å; L423-K431 WeakPolarHBondContact O-CE 3.3Å; L423-F434 HydrophobicContact CD1-CB 4.38Å; L423-F434 HydrophobicContact CD1-CD1 3.89Å; L423-F434 HydrophobicContact CD1-CG 4.47Å; L423-F434 HydrophobicContact CD2-CD1 3.68Å; L423-F434 HydrophobicContact CD2-CE1 3.67Å; L423-F434 HydrophobicContact CG-CD1 4.47Å; L423-I435 HydrophobicContact CD1-CD1 4.07Å; L423-I435 HydrophobicContact CD1-CG1 3.63Å | ||
| 424 | T | 92.7 | Very high | 86.8 | Confident | 25 Ų | 25 | 53 Ų | 53 | 15% | 0.153 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 151.1 | 173.5 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | K422 L426 R547 R664 | K422-T424 VanDerWaalsContact C-N 3.35Å; K422-T424 PolarHBondContact O-N 3.18Å; T424-L426 PolarHBondContact O-N 2.77Å; T424-L426 VanDerWaalsContact O-N 3.12Å; T424-R547 PolarHBondContact O-NE 2.96Å; T424-R547 PolarHBondContact O-NH2 3.03Å; T424-R547 PolarHBondContact OG1-NH2 3.01Å; T424-R664 HydrophobicContact CG2-CB 4.05Å |
| 425 | F | 96 | Very high | 87.2 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 2% | 0.022 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 4.7 | 171.2 | -43.7 | -48.6 | 0 | 0 | 0 | 117.4 | L550 L551 D599 A600 I602 T660 V661 R664 | F425-L550 HydrophobicContact CB-CD2 4.13Å; F425-L550 HydrophobicContact CD1-CD2 4.41Å; F425-L550 HydrophobicContact CD2-CD2 3.86Å; F425-L550 HydrophobicContact CE2-CD2 4.38Å; F425-L550 HydrophobicContact CG-CD2 3.87Å; F425-L551 HydrophobicContact CD2-CD2 3.85Å; F425-L551 HydrophobicContact CD2-CG 4.39Å; F425-L551 HydrophobicContact CE2-CD2 3.56Å; F425-L551 HydrophobicContact CE2-CG 4.48Å; F425-D599 WeakPolarHBondContact CD1-OD1 3.46Å; F425-D599 WeakPolarHBondContact CE1-OD1 3.46Å; F425-A600 WeakPolarHBondContact CA-O 3.46Å; F425-A600 HydrophobicContact CD1-CB 3.71Å; F425-A600 WeakPolarHBondContact CD1-O 3.42Å; F425-A600 HydrophobicContact CE1-CB 3.98Å; F425-A600 HydrophobicContact CG-CB 4.47Å; F425-I602 PolarHBondContact O-N 3.2Å; F425-T660 HydrophobicContact CE1-CG2 4.11Å; F425-V661 HydrophobicContact CE2-CG2 3.98Å; F425-V661 HydrophobicContact CZ-CG2 4.05Å; F425-R664 HydrophobicContact CE1-CB 4.15Å; F425-R664 HydrophobicContact CE1-CG 3.98Å; F425-R664 HydrophobicContact CZ-CB 3.71Å; F425-R664 HydrophobicContact CZ-CG 3.99Å |
| 426 | L | 95.5 | Very high | 88.1 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -100.4 | 146.7 | 175.6 | -65.7 | -177.5 | 0 | 0 | 0 | 111.7 | L423 T424 K431 F434 L543 R547 | L423-L426 HydrophobicContact CB-CD1 4.36Å; T424-L426 PolarHBondContact O-N 2.77Å; T424-L426 VanDerWaalsContact O-N 3.12Å; L426-K431 HydrophobicContact CB-CG 4.13Å; L426-F434 HydrophobicContact CD1-CB 4.11Å; L426-F434 HydrophobicContact CD1-CD1 4.14Å; L426-F434 HydrophobicContact CD1-CD2 3.62Å; L426-F434 HydrophobicContact CD1-CE1 4.48Å; L426-F434 HydrophobicContact CD1-CE2 4.01Å; L426-F434 HydrophobicContact CD1-CG 3.7Å; L426-F434 HydrophobicContact CD1-CZ 4.44Å; L426-L543 HydrophobicContact CD2-CD1 3.88Å; L426-L543 HydrophobicContact CD2-CD2 3.99Å; L426-L543 HydrophobicContact CD2-CG 3.9Å; L426-R547 HydrophobicContact CD2-CB 4.44Å; L426-R547 HydrophobicContact CD2-CG 4.42Å |
| 427 | E | 93.9 | Very high | 89.4 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 21% | 0.21 | 28% | 0.281 | C | S | . | . | trans | -67.5 | 149 | 168.8 | -64.6 | -164 | 128 | 0 | 0 | 111.3 | K429 D430 K431 R601 T603 | E427-K429 HydrophobicContact CB-CG 4.14Å; E427-K429 PolarHBondContact O-N 3.32Å; E427-K429 VanDerWaalsContact O-N 3.17Å; E427-K429 WeakPolarHBondContact OE2-CE 3.25Å; E427-K429 IonicContact OE2-NZ 3.63Å; E427-K429 PolarHBondContact OE2-NZ 2.96Å; E427-D430 PolarHBondContact O-N 3.16Å; E427-K431 PolarHBondContact O-N 3.45Å; E427-R601 HydrophobicContact CG-CG 3.91Å; E427-T603 HydrophobicContact CG-CG2 4.22Å | ||
| 428 | E | 92.9 | Very high | 90.5 | Very high | 100 Ų | 100 | 56.4 Ų | 56.4 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63 | -29.7 | -174.2 | -153.3 | 57 | -159.3 | 0 | 0 | 113 | K420 D430 K431 | K420-E428 VanDerWaalsContact CE-OE1 3.23Å; K420-E428 WeakPolarHBondContact CE-OE1 3.5Å; K420-E428 IonicContact NZ-OE1 3.12Å; E428-D430 VanDerWaalsContact C-N 3.25Å; E428-D430 PolarHBondContact O-N 3.21Å; E428-K431 IonicContact OE1-NZ 2.61Å; E428-K431 VanDerWaalsContact OE2-CD 3.27Å; E428-K431 WeakPolarHBondContact OE2-CD 3.18Å; E428-K431 WeakPolarHBondContact OE2-CE 3.17Å; E428-K431 IonicContact OE2-NZ 3.01Å; E428-K431 PolarHBondContact OE2-NZ 3.42Å |
| 429 | K | 93.7 | Very high | 91.3 | Very high | 149 Ų | 149 | 55.1 Ų | 55.1 | 65% | 0.648 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.8 | -27.6 | 175 | 74.8 | -173.9 | -168.5 | -156.2 | 0 | 113.1 | E427 | E427-K429 HydrophobicContact CB-CG 4.14Å; E427-K429 PolarHBondContact O-N 3.32Å; E427-K429 VanDerWaalsContact O-N 3.17Å; E427-K429 WeakPolarHBondContact OE2-CE 3.25Å; E427-K429 IonicContact OE2-NZ 3.63Å; E427-K429 PolarHBondContact OE2-NZ 2.96Å |
| 430 | D | 95 | Very high | 91.9 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.053 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -93.2 | -20.9 | -174.8 | -65.5 | -39.4 | 0 | 0 | 0 | 112.2 | E427 E428 D432 L433 F434 Y539 L543 | E427-D430 PolarHBondContact O-N 3.16Å; E428-D430 VanDerWaalsContact C-N 3.25Å; E428-D430 PolarHBondContact O-N 3.21Å; D430-D432 PolarHBondContact O-N 3.13Å; D430-L433 PolarHBondContact O-N 3.41Å; D430-F434 VanDerWaalsContact O-CB 3.24Å; D430-F434 WeakPolarHBondContact O-CB 3.24Å; D430-F434 PolarHBondContact O-N 2.86Å; D430-Y539 PolarHBondContact OD1-OH 3.41Å; D430-Y539 PolarHBondContact OD2-OH 2.92Å; D430-L543 HydrophobicContact CB-CD2 3.91Å |
| 431 | K | 94.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 49 Ų | 49 | 13% | 0.13 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | -174 | -71.5 | -173.4 | -174.3 | 169.5 | 0 | 113.9 | K420 L423 L426 E427 E428 L433 F434 I435 | K420-K431 HydrophobicContact CG-CB 4.11Å; K420-K431 HydrophobicContact CG-CD 4.07Å; L423-K431 HydrophobicContact CB-CD 4.14Å; L423-K431 HydrophobicContact CB-CG 4.13Å; L423-K431 HydrophobicContact CD1-CB 4.07Å; L423-K431 HydrophobicContact CD1-CG 4.16Å; L423-K431 WeakPolarHBondContact O-CE 3.3Å; L426-K431 HydrophobicContact CB-CG 4.13Å; E427-K431 PolarHBondContact O-N 3.45Å; E428-K431 IonicContact OE1-NZ 2.61Å; E428-K431 VanDerWaalsContact OE2-CD 3.27Å; E428-K431 WeakPolarHBondContact OE2-CD 3.18Å; E428-K431 WeakPolarHBondContact OE2-CE 3.17Å; E428-K431 IonicContact OE2-NZ 3.01Å; E428-K431 PolarHBondContact OE2-NZ 3.42Å; K431-L433 VanDerWaalsContact C-N 3.32Å; K431-L433 PolarHBondContact O-N 2.67Å; K431-F434 WeakPolarHBondContact O-CB 3.3Å; K431-F434 PolarHBondContact O-N 3.33Å; K431-I435 VanDerWaalsContact O-CG1 3.29Å; K431-I435 WeakPolarHBondContact O-CG1 3.1Å; K431-I435 PolarHBondContact O-N 3.36Å |
| 432 | D | 94.3 | Very high | 92.6 | Very high | 94 Ų | 94 | 45.6 Ų | 45.6 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.6 | -39 | -179.7 | -67.8 | -35 | 0 | 0 | 0 | 111.2 | K420 D430 K436 | K420-D432 WeakPolarHBondContact CD-OD1 3.26Å; K420-D432 VanDerWaalsContact CE-OD1 3.29Å; K420-D432 WeakPolarHBondContact CE-OD1 3.36Å; K420-D432 IonicContact NZ-OD1 2.75Å; K420-D432 PolarHBondContact NZ-OD1 2.95Å; K420-D432 IonicContact NZ-OD2 2.87Å; K420-D432 PolarHBondContact NZ-OD2 3.03Å; D430-D432 PolarHBondContact O-N 3.13Å; D432-K436 WeakPolarHBondContact O-CB 3.42Å; D432-K436 PolarHBondContact O-N 3.24Å; D432-K436 VanDerWaalsContact O-N 3.13Å |
| 433 | L | 95.1 | Very high | 92.8 | Very high | 38 Ų | 38 | 43.2 Ų | 43.2 | 20% | 0.199 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -42.2 | 175.4 | -167.1 | 70.3 | 0 | 0 | 0 | 111.2 | D430 K431 K436 W437 D536 Y539 I540 | D430-L433 PolarHBondContact O-N 3.41Å; K431-L433 VanDerWaalsContact C-N 3.32Å; K431-L433 PolarHBondContact O-N 2.67Å; L433-K436 PolarHBondContact O-N 2.88Å; L433-W437 PolarHBondContact O-N 3.29Å; L433-D536 HydrophobicContact CD1-CB 4.18Å; L433-Y539 HydrophobicContact CD2-CD1 3.85Å; L433-Y539 HydrophobicContact CD2-CE1 4.22Å; L433-I540 HydrophobicContact CB-CD1 4.24Å; L433-I540 HydrophobicContact CD2-CD1 4Å; L433-I540 HydrophobicContact CD2-CG1 4.23Å; L433-I540 HydrophobicContact CG-CD1 3.97Å; L433-I540 HydrophobicContact CG-CG1 4.01Å |
| 434 | F | 94.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 176.7 | -167.2 | -86.3 | 0 | 0 | 0 | 111.3 | L423 L426 D430 K431 K436 W437 K438 I540 L543 S544 | L423-F434 HydrophobicContact CD1-CB 4.38Å; L423-F434 HydrophobicContact CD1-CD1 3.89Å; L423-F434 HydrophobicContact CD1-CG 4.47Å; L423-F434 HydrophobicContact CD2-CD1 3.68Å; L423-F434 HydrophobicContact CD2-CE1 3.67Å; L423-F434 HydrophobicContact CG-CD1 4.47Å; L426-F434 HydrophobicContact CD1-CB 4.11Å; L426-F434 HydrophobicContact CD1-CD1 4.14Å; L426-F434 HydrophobicContact CD1-CD2 3.62Å; L426-F434 HydrophobicContact CD1-CE1 4.48Å; L426-F434 HydrophobicContact CD1-CE2 4.01Å; L426-F434 HydrophobicContact CD1-CG 3.7Å; L426-F434 HydrophobicContact CD1-CZ 4.44Å; D430-F434 VanDerWaalsContact O-CB 3.24Å; D430-F434 WeakPolarHBondContact O-CB 3.24Å; D430-F434 PolarHBondContact O-N 2.86Å; K431-F434 WeakPolarHBondContact O-CB 3.3Å; K431-F434 PolarHBondContact O-N 3.33Å; F434-K436 VanDerWaalsContact C-N 3.3Å; F434-K436 PolarHBondContact O-N 2.83Å; F434-W437 PolarHBondContact O-N 3.3Å; F434-K438 HydrophobicContact CD1-CB 4.29Å; F434-K438 HydrophobicContact CD1-CD 4.33Å; F434-K438 HydrophobicContact CE1-CB 4.24Å; F434-K438 HydrophobicContact CE1-CD 3.69Å; F434-K438 HydrophobicContact CE1-CG 4.07Å; F434-K438 HydrophobicContact CZ-CD 4.38Å; F434-K438 HydrophobicContact CZ-CG 4.43Å; F434-K438 WeakPolarHBondContact O-CA 3.33Å; F434-K438 WeakPolarHBondContact O-CB 3.37Å; F434-K438 PolarHBondContact O-N 3.05Å; F434-I540 HydrophobicContact CB-CD1 4.12Å; F434-I540 HydrophobicContact CD2-CD1 4.21Å; F434-I540 HydrophobicContact CD2-CG2 3.98Å; F434-I540 HydrophobicContact CE2-CG2 4.4Å; F434-I540 HydrophobicContact CG-CG2 4.42Å; F434-L543 HydrophobicContact CD2-CD2 4.27Å; F434-S544 WeakPolarHBondContact CE2-OG 3.46Å; F434-S544 WeakPolarHBondContact CZ-OG 3.42Å |
| 435 | I | 91.7 | Very high | 93 | Very high | 70 Ų | 70 | 42.2 Ų | 42.2 | 36% | 0.359 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 178 | -66.6 | 165.9 | 0 | 0 | 0 | 110.8 | K420 L423 K431 | K420-I435 HydrophobicContact CB-CD1 3.63Å; K420-I435 HydrophobicContact CD-CD1 4.46Å; K420-I435 HydrophobicContact CG-CD1 3.96Å; L423-I435 HydrophobicContact CD1-CD1 4.07Å; L423-I435 HydrophobicContact CD1-CG1 3.63Å; K431-I435 VanDerWaalsContact O-CG1 3.29Å; K431-I435 WeakPolarHBondContact O-CG1 3.1Å; K431-I435 PolarHBondContact O-N 3.36Å |
| 436 | K | 91.9 | Very high | 92.8 | Very high | 130 Ų | 130 | 42.5 Ų | 42.5 | 57% | 0.565 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -64.9 | -44.3 | -177.8 | -175.3 | 179.1 | 175.5 | -170.7 | 0 | 112.3 | D432 L433 F434 | D432-K436 WeakPolarHBondContact O-CB 3.42Å; D432-K436 PolarHBondContact O-N 3.24Å; D432-K436 VanDerWaalsContact O-N 3.13Å; L433-K436 PolarHBondContact O-N 2.88Å; F434-K436 VanDerWaalsContact C-N 3.3Å; F434-K436 PolarHBondContact O-N 2.83Å |
| 437 | W | 93.9 | Very high | 92.6 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -107.3 | -5.9 | -168 | -61.4 | 117.6 | 0 | 0 | 0 | 115.2 | L433 F434 G439 P440 S441 E533 D536 V537 I540 | L433-W437 PolarHBondContact O-N 3.29Å; F434-W437 PolarHBondContact O-N 3.3Å; W437-G439 VanDerWaalsContact C-N 3.29Å; W437-G439 PolarHBondContact O-N 2.83Å; W437-P440 HydrophobicContact CE3-CB 4.08Å; W437-P440 HydrophobicContact CE3-CG 3.94Å; W437-P440 HydrophobicContact CZ3-CG 4.41Å; W437-P440 WeakPolarHBondContact O-CD 3.3Å; W437-S441 WeakPolarHBondContact O-CB 3.24Å; W437-S441 PolarHBondContact O-N 2.74Å; W437-S441 PolarHBondContact O-OG 2.89Å; W437-S441 VanDerWaalsContact O-OG 3.08Å; W437-E533 HydrophobicContact CH2-CB 3.71Å; W437-E533 HydrophobicContact CH2-CG 3.67Å; W437-E533 HydrophobicContact CZ2-CB 4.06Å; W437-E533 HydrophobicContact CZ2-CG 3.92Å; W437-E533 HydrophobicContact CZ3-CB 4.39Å; W437-D536 HydrophobicContact CD2-CB 4.48Å; W437-D536 HydrophobicContact CG-CB 4.25Å; W437-V537 HydrophobicContact CD2-CG2 4.27Å; W437-V537 HydrophobicContact CE3-CG2 3.72Å; W437-V537 HydrophobicContact CZ3-CG2 4.23Å; W437-I540 HydrophobicContact CB-CB 4.15Å; W437-I540 HydrophobicContact CB-CG1 4.01Å; W437-I540 HydrophobicContact CB-CG2 4.31Å |
| 438 | K | 91.3 | Very high | 92.6 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 20% | 0.2 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.8 | -43.3 | 177.1 | 179.2 | -169.3 | -170.6 | -165.7 | 0 | 112.3 | A415 T418 F434 S441 F442 | A415-K438 PolarHBondContact O-NZ 2.95Å; T418-K438 PolarHBondContact OG1-NZ 3.28Å; F434-K438 HydrophobicContact CD1-CB 4.29Å; F434-K438 HydrophobicContact CD1-CD 4.33Å; F434-K438 HydrophobicContact CE1-CB 4.24Å; F434-K438 HydrophobicContact CE1-CD 3.69Å; F434-K438 HydrophobicContact CE1-CG 4.07Å; F434-K438 HydrophobicContact CZ-CD 4.38Å; F434-K438 HydrophobicContact CZ-CG 4.43Å; F434-K438 WeakPolarHBondContact O-CA 3.33Å; F434-K438 WeakPolarHBondContact O-CB 3.37Å; F434-K438 PolarHBondContact O-N 3.05Å; K438-S441 WeakPolarHBondContact CA-OG 3.37Å; K438-S441 PolarHBondContact O-OG 2.71Å; K438-S441 VanDerWaalsContact O-OG 3.11Å; K438-F442 WeakPolarHBondContact O-CB 3.33Å; K438-F442 PolarHBondContact O-N 2.68Å |
| 439 | G | 87.7 | Confident | 92.7 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 10% | 0.103 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.1 | -61.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y416 W437 S441 F442 E443 | Y416-G439 PolarHBondContact OH-O 3.14Å; W437-G439 VanDerWaalsContact C-N 3.29Å; W437-G439 PolarHBondContact O-N 2.83Å; G439-S441 PolarHBondContact O-N 3.31Å; G439-F442 PolarHBondContact O-N 2.87Å; G439-F442 VanDerWaalsContact O-N 3.12Å; G439-E443 PolarHBondContact O-N 3.25Å |
| 440 | P | 91.1 | Very high | 92.6 | Very high | 32 Ų | 32 | 29 Ų | 29 | 21% | 0.208 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.5 | -44.1 | 176 | -31.5 | 37.9 | 0 | 0 | 0 | 115 | W437 F442 E443 V444 V537 | W437-P440 HydrophobicContact CE3-CB 4.08Å; W437-P440 HydrophobicContact CE3-CG 3.94Å; W437-P440 HydrophobicContact CZ3-CG 4.41Å; W437-P440 WeakPolarHBondContact O-CD 3.3Å; P440-F442 VanDerWaalsContact C-N 3.31Å; P440-F442 PolarHBondContact O-N 3.27Å; P440-E443 PolarHBondContact O-N 3.49Å; P440-V444 WeakPolarHBondContact O-CG2 3.42Å; P440-V444 PolarHBondContact O-N 3.37Å; P440-V444 VanDerWaalsContact O-N 3.14Å; P440-V537 HydrophobicContact CB-CG2 4.13Å |
| 441 | S | 94.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.8 | -36.4 | 178 | 69.1 | 0 | 0 | 0 | 0 | 112.6 | W437 K438 G439 Q445 V537 | W437-S441 WeakPolarHBondContact O-CB 3.24Å; W437-S441 PolarHBondContact O-N 2.74Å; W437-S441 PolarHBondContact O-OG 2.89Å; W437-S441 VanDerWaalsContact O-OG 3.08Å; K438-S441 WeakPolarHBondContact CA-OG 3.37Å; K438-S441 PolarHBondContact O-OG 2.71Å; K438-S441 VanDerWaalsContact O-OG 3.11Å; G439-S441 PolarHBondContact O-N 3.31Å; S441-Q445 WeakPolarHBondContact O-CB 3.28Å; S441-Q445 PolarHBondContact O-N 3.02Å; S441-V537 WeakPolarHBondContact CB-O 3.48Å |
| 442 | F | 89.8 | Confident | 92.4 | Very high | 64 Ų | 64 | 27.1 Ų | 27.1 | 28% | 0.281 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -73.3 | -34 | 177.2 | -161.8 | -99.6 | 0 | 0 | 0 | 112.1 | A387 L412 Y416 K438 G439 P440 Q445 V446 | A387-F442 HydrophobicContact CB-CE1 3.89Å; A387-F442 HydrophobicContact CB-CZ 4.36Å; L412-F442 HydrophobicContact CD2-CD1 3.4Å; L412-F442 HydrophobicContact CD2-CE1 3.32Å; Y416-F442 HydrophobicContact CE1-CB 3.83Å; Y416-F442 AromaticContact CE1-CD1 3.81Å; Y416-F442 HydrophobicContact CE1-CD1 3.81Å; Y416-F442 HydrophobicContact CE1-CG 4.08Å; K438-F442 WeakPolarHBondContact O-CB 3.33Å; K438-F442 PolarHBondContact O-N 2.68Å; G439-F442 PolarHBondContact O-N 2.87Å; G439-F442 VanDerWaalsContact O-N 3.12Å; P440-F442 VanDerWaalsContact C-N 3.31Å; P440-F442 PolarHBondContact O-N 3.27Å; F442-Q445 PolarHBondContact O-N 3.14Å; F442-V446 HydrophobicContact CD1-CG2 3.65Å; F442-V446 HydrophobicContact CE1-CG2 3.42Å; F442-V446 VanDerWaalsContact CE1-CG2 3.42Å; F442-V446 HydrophobicContact CG-CG2 4.35Å; F442-V446 HydrophobicContact CZ-CG2 3.91Å; F442-V446 WeakPolarHBondContact O-CB 3.26Å; F442-V446 VanDerWaalsContact O-CG2 3.29Å; F442-V446 WeakPolarHBondContact O-CG2 3.17Å; F442-V446 PolarHBondContact O-N 3.44Å |
| 443 | E | 88.7 | Confident | 92.4 | Very high | 24 Ų | 24 | 22.7 Ų | 22.7 | 11% | 0.112 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 171.4 | -173.2 | -175.3 | 157.2 | 0 | 0 | 111 | M338 R341 F342 G439 P440 G447 F527 | M338-E443 VanDerWaalsContact CE-CD 3.47Å; M338-E443 HydrophobicContact CE-CG 4.39Å; M338-E443 WeakPolarHBondContact CE-OE1 3.48Å; R341-E443 IonicContact CZ-OE1 3.31Å; R341-E443 IonicContact NH1-OE1 2.86Å; R341-E443 PolarHBondContact NH1-OE1 3.24Å; R341-E443 IonicContact NH1-OE2 2.82Å; R341-E443 PolarHBondContact NH1-OE2 2.98Å; F342-E443 HydrophobicContact CZ-CG 4.49Å; G439-E443 PolarHBondContact O-N 3.25Å; P440-E443 PolarHBondContact O-N 3.49Å; E443-G447 PolarHBondContact O-N 2.82Å; E443-F527 HydrophobicContact CG-CD1 4.02Å; E443-F527 HydrophobicContact CG-CE1 4.01Å |
| 444 | V | 93.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 174.4 | 175.6 | 0 | 0 | 0 | 0 | 111 | P440 G447 L448 C518 V523 F527 V537 | P440-V444 WeakPolarHBondContact O-CG2 3.42Å; P440-V444 PolarHBondContact O-N 3.37Å; P440-V444 VanDerWaalsContact O-N 3.14Å; V444-G447 PolarHBondContact O-N 2.56Å; V444-L448 HydrophobicContact CG1-CD1 3.79Å; V444-L448 HydrophobicContact CG1-CG 4.46Å; V444-L448 WeakPolarHBondContact O-CG 3.35Å; V444-L448 PolarHBondContact O-N 3.38Å; V444-C518 HydrophobicContact CG1-CB 3.96Å; V444-V523 HydrophobicContact CG1-CG1 4.32Å; V444-F527 HydrophobicContact CB-CD2 4.49Å; V444-F527 HydrophobicContact CG1-CD2 4.48Å; V444-F527 HydrophobicContact CG2-CB 3.85Å; V444-F527 HydrophobicContact CG2-CD1 4.17Å; V444-F527 HydrophobicContact CG2-CD2 3.88Å; V444-F527 HydrophobicContact CG2-CE2 4.49Å; V444-F527 HydrophobicContact CG2-CG 3.7Å; V444-V537 HydrophobicContact CG2-CG1 4.11Å |
| 445 | Q | 95.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 2% | 0.023 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.2 | -49.6 | -179 | -175.7 | 63 | 18.7 | 0 | 0 | 111.6 | S441 F442 L448 H449 E511 N541 | S441-Q445 WeakPolarHBondContact O-CB 3.28Å; S441-Q445 PolarHBondContact O-N 3.02Å; F442-Q445 PolarHBondContact O-N 3.14Å; Q445-L448 PolarHBondContact O-N 2.99Å; Q445-H449 WeakPolarHBondContact O-CB 3.4Å; Q445-H449 PolarHBondContact O-N 2.87Å; Q445-E511 PolarHBondContact NE2-O 2.94Å; Q445-E511 PolarHBondContact NE2-OE2 2.85Å; Q445-N541 PolarHBondContact OE1-ND2 2.72Å; Q445-N541 PolarHBondContact OE1-OD1 2.81Å |
| 446 | V | 90.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 18.3 Ų | 18.3 | 6% | 0.061 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | F442 L448 H449 E450 | F442-V446 HydrophobicContact CD1-CG2 3.65Å; F442-V446 HydrophobicContact CE1-CG2 3.42Å; F442-V446 VanDerWaalsContact CE1-CG2 3.42Å; F442-V446 HydrophobicContact CG-CG2 4.35Å; F442-V446 HydrophobicContact CZ-CG2 3.91Å; F442-V446 WeakPolarHBondContact O-CB 3.26Å; F442-V446 VanDerWaalsContact O-CG2 3.29Å; F442-V446 WeakPolarHBondContact O-CG2 3.17Å; F442-V446 PolarHBondContact O-N 3.44Å; V446-L448 VanDerWaalsContact C-N 3.31Å; V446-L448 PolarHBondContact O-N 2.93Å; V446-H449 PolarHBondContact O-N 2.88Å; V446-E450 HydrophobicContact CG1-CG 3.93Å; V446-E450 WeakPolarHBondContact O-CB 3.39Å; V446-E450 VanDerWaalsContact O-CG 3.24Å; V446-E450 WeakPolarHBondContact O-CG 3.39Å; V446-E450 PolarHBondContact O-N 2.75Å |
| 447 | G | 90.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -54.2 | -47.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F372 E443 V444 L451 | F372-G447 WeakPolarHBondContact CE1-O 3.37Å; E443-G447 PolarHBondContact O-N 2.82Å; V444-G447 PolarHBondContact O-N 2.56Å; G447-L451 VanDerWaalsContact O-CB 3.28Å; G447-L451 WeakPolarHBondContact O-CB 3.29Å; G447-L451 PolarHBondContact O-N 2.87Å |
| 448 | L | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -73.5 | -43.3 | 178.9 | -65.9 | 169.7 | 0 | 0 | 0 | 112.5 | L345 V444 Q445 V446 L452 G453 G514 L517 C518 V523 | L345-L448 HydrophobicContact CD1-CD2 4.4Å; V444-L448 HydrophobicContact CG1-CD1 3.79Å; V444-L448 HydrophobicContact CG1-CG 4.46Å; V444-L448 WeakPolarHBondContact O-CG 3.35Å; V444-L448 PolarHBondContact O-N 3.38Å; Q445-L448 PolarHBondContact O-N 2.99Å; V446-L448 VanDerWaalsContact C-N 3.31Å; V446-L448 PolarHBondContact O-N 2.93Å; L448-L452 HydrophobicContact CD2-CD1 3.91Å; L448-L452 CarbonylContact O-C 3.56Å; L448-L452 WeakPolarHBondContact O-CA 3.01Å; L448-L452 PolarHBondContact O-N 3.02Å; L448-G453 PolarHBondContact O-N 3.16Å; L448-G514 WeakPolarHBondContact CD1-O 3.41Å; L448-L517 HydrophobicContact CD1-CB 4.04Å; L448-L517 HydrophobicContact CD2-CB 3.93Å; L448-L517 HydrophobicContact CD2-CD1 4.31Å; L448-C518 HydrophobicContact CD1-CB 3.92Å; L448-V523 HydrophobicContact CD1-CG1 4.01Å; L448-V523 HydrophobicContact CD2-CG1 3.84Å; L448-V523 HydrophobicContact CD2-CG2 4.3Å; L448-V523 HydrophobicContact CG-CG1 4.22Å |
| 449 | H | 94.9 | Very high | 92.5 | Very high | 10 Ų | 10 | 10.5 Ų | 10.5 | 5% | 0.046 | 6% | 0.057 | C | C | . | . | I | π-helix | trans | -58.6 | -48.9 | -179.9 | 175 | 99.5 | 0 | 0 | 0 | 111.4 | Q445 V446 G453 H454 E507 A510 E511 | Q445-H449 WeakPolarHBondContact O-CB 3.4Å; Q445-H449 PolarHBondContact O-N 2.87Å; V446-H449 PolarHBondContact O-N 2.88Å; H449-G453 CarbonylContact O-C 3.54Å; H449-G453 WeakPolarHBondContact O-CA 3.33Å; H449-G453 PolarHBondContact O-N 3.33Å; H449-H454 AromaticContact CD2-CD2 3.88Å; H449-H454 AromaticContact CD2-NE2 3.72Å; H449-H454 AromaticContact CE1-NE2 3.81Å; H449-H454 AromaticContact NE2-CD2 3.79Å; H449-H454 AromaticContact NE2-NE2 3.14Å; H449-H454 PolarHBondContact NE2-NE2 2.81Å; H449-H454 VanDerWaalsContact NE2-NE2 3.14Å; H449-H454 PolarHBondContact O-N 2.9Å; H449-E507 IonicContact CE1-OE2 2.69Å; H449-E507 PolarHBondContact CE1-OE2 2.91Å; H449-E507 IonicContact NE2-OE2 3.23Å; H449-E507 PolarHBondContact NE2-OE2 3.32Å; H449-A510 VanDerWaalsContact CE1-CB 3.46Å; H449-A510 WeakPolarHBondContact CE1-CB 3.43Å; H449-A510 VanDerWaalsContact ND1-C 3.35Å; H449-A510 WeakPolarHBondContact ND1-CB 3.28Å; H449-E511 PolarHBondContact ND1-N 3.38Å; H449-E511 IonicContact ND1-OE2 3.77Å |
| 450 | E | 90.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 10 Ų | 10 | 7% | 0.07 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -70 | -52.9 | -179.6 | -61 | -59.3 | 162.9 | 0 | 0 | 111.2 | F372 I389 N390 N405 V446 H454 | F372-E450 HydrophobicContact CZ-CB 4.11Å; I389-E450 VanDerWaalsContact C-OE2 3.23Å; N390-E450 VanDerWaalsContact CB-OE2 3.25Å; N390-E450 WeakPolarHBondContact CB-OE2 3.48Å; N390-E450 PolarHBondContact N-OE2 3.49Å; N390-E450 PolarHBondContact ND2-O 2.94Å; N405-E450 HydrophobicContact CB-CB 4.4Å; N405-E450 PolarHBondContact ND2-O 2.88Å; V446-E450 HydrophobicContact CG1-CG 3.93Å; V446-E450 WeakPolarHBondContact O-CB 3.39Å; V446-E450 VanDerWaalsContact O-CG 3.24Å; V446-E450 WeakPolarHBondContact O-CG 3.39Å; V446-E450 PolarHBondContact O-N 2.75Å; E450-H454 IonicContact OE2-CD2 3.68Å |
| 451 | L | 91 | Very high | 93.1 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | I | π-helix | trans | -77.4 | -52.7 | -171.5 | 177.9 | 66.7 | 0 | 0 | 0 | 113 | L345 V346 F367 P370 F372 N405 G447 G455 | L345-L451 HydrophobicContact CB-CD2 4.33Å; L345-L451 HydrophobicContact CD2-CD2 3.7Å; L345-L451 HydrophobicContact CG-CD2 3.63Å; V346-L451 HydrophobicContact CG2-CD1 3.96Å; V346-L451 HydrophobicContact CG2-CD2 3.95Å; F367-L451 HydrophobicContact CZ-CD1 4.18Å; P370-L451 HydrophobicContact CG-CD1 3.21Å; F372-L451 HydrophobicContact CD1-CB 3.86Å; F372-L451 HydrophobicContact CD1-CD1 4.36Å; F372-L451 HydrophobicContact CD1-CD2 4.16Å; F372-L451 HydrophobicContact CD1-CG 4.35Å; F372-L451 HydrophobicContact CE1-CB 3.68Å; N405-L451 WeakPolarHBondContact OD1-CD1 3.22Å; G447-L451 VanDerWaalsContact O-CB 3.28Å; G447-L451 WeakPolarHBondContact O-CB 3.29Å; G447-L451 PolarHBondContact O-N 2.87Å; L451-G455 VanDerWaalsContact O-CA 3.23Å; L451-G455 WeakPolarHBondContact O-CA 3.43Å; L451-G455 PolarHBondContact O-N 3.08Å |
| 452 | L | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -103.4 | -19.6 | -170.3 | -59.9 | 179.2 | 0 | 0 | 0 | 112.1 | A349 L352 L353 L448 S456 V513 L517 | A349-L452 HydrophobicContact CB-CD2 3.85Å; L352-L452 HydrophobicContact CB-CD1 3.91Å; L352-L452 HydrophobicContact CD1-CD1 3.78Å; L353-L452 HydrophobicContact CD2-CD2 4.04Å; L353-L452 HydrophobicContact CG-CD2 4.24Å; L448-L452 HydrophobicContact CD2-CD1 3.91Å; L448-L452 CarbonylContact O-C 3.56Å; L448-L452 WeakPolarHBondContact O-CA 3.01Å; L448-L452 PolarHBondContact O-N 3.02Å; L452-S456 WeakPolarHBondContact O-CB 2.85Å; L452-S456 PolarHBondContact O-OG 3.25Å; L452-V513 HydrophobicContact CB-CG1 4.03Å; L452-V513 WeakPolarHBondContact O-CG1 3.44Å; L452-L517 HydrophobicContact CB-CD1 3.89Å; L452-L517 HydrophobicContact CD1-CD1 3.51Å; L452-L517 HydrophobicContact CG-CD1 4.34Å |
| 453 | G | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | I | π-helix | trans | -70.4 | -90.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | L448 H449 G455 S456 R509 | L448-G453 PolarHBondContact O-N 3.16Å; H449-G453 CarbonylContact O-C 3.54Å; H449-G453 WeakPolarHBondContact O-CA 3.33Å; H449-G453 PolarHBondContact O-N 3.33Å; G453-G455 PolarHBondContact O-N 2.94Å; G453-G455 VanDerWaalsContact O-N 3.14Å; G453-S456 PolarHBondContact O-N 2.81Å; G453-S456 VanDerWaalsContact O-N 3.14Å; G453-S456 PolarHBondContact O-OG 2.97Å; G453-R509 VanDerWaalsContact C-NH2 3.32Å; G453-R509 PolarHBondContact O-NH1 2.87Å; G453-R509 PolarHBondContact O-NH2 3.14Å |
| 454 | H | 92.1 | Very high | 93 | Very high | 19 Ų | 19 | 16.3 Ų | 16.3 | 9% | 0.088 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -56.5 | -32.5 | -176.5 | -68.1 | -47.2 | 0 | 0 | 0 | 114.6 | N390 R398 H449 E450 S456 E506 E507 | N390-H454 HydrophobicContact CB-CB 3.97Å; N390-H454 WeakPolarHBondContact ND2-CB 3.48Å; R398-H454 PolarHBondContact NH2-O 2.92Å; H449-H454 AromaticContact CD2-CD2 3.88Å; H449-H454 AromaticContact CD2-NE2 3.72Å; H449-H454 AromaticContact CE1-NE2 3.81Å; H449-H454 AromaticContact NE2-CD2 3.79Å; H449-H454 AromaticContact NE2-NE2 3.14Å; H449-H454 PolarHBondContact NE2-NE2 2.81Å; H449-H454 VanDerWaalsContact NE2-NE2 3.14Å; H449-H454 PolarHBondContact O-N 2.9Å; E450-H454 IonicContact OE2-CD2 3.68Å; H454-S456 VanDerWaalsContact C-N 3.33Å; H454-S456 PolarHBondContact O-N 2.88Å; H454-E506 IonicContact CE1-OE1 3.73Å; H454-E506 IonicContact CG-OE1 3.35Å; H454-E506 IonicContact ND1-OE1 2.95Å; H454-E506 PolarHBondContact ND1-OE1 3.05Å; H454-E507 IonicContact CE1-OE1 2.75Å; H454-E507 IonicContact CE1-OE2 3.31Å; H454-E507 IonicContact NE2-OE1 2.6Å; H454-E507 IonicContact NE2-OE2 2.95Å |
| 455 | G | 89.8 | Confident | 92.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -13.6 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | K364 L451 G453 | K364-G455 PolarHBondContact NZ-O 3.08Å; L451-G455 VanDerWaalsContact O-CA 3.23Å; L451-G455 WeakPolarHBondContact O-CA 3.43Å; L451-G455 PolarHBondContact O-N 3.08Å; G453-G455 PolarHBondContact O-N 2.94Å; G453-G455 VanDerWaalsContact O-N 3.14Å |
| 456 | S | 93.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | trans | -99.9 | 166.3 | -178.5 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | W358 L452 G453 H454 R509 | W358-S456 WeakPolarHBondContact CZ2-OG 3.5Å; L452-S456 WeakPolarHBondContact O-CB 2.85Å; L452-S456 PolarHBondContact O-OG 3.25Å; G453-S456 PolarHBondContact O-N 2.81Å; G453-S456 VanDerWaalsContact O-N 3.14Å; G453-S456 PolarHBondContact O-OG 2.97Å; H454-S456 VanDerWaalsContact C-N 3.33Å; H454-S456 PolarHBondContact O-N 2.88Å; S456-R509 PolarHBondContact O-NH1 2.79Å; S456-R509 PolarHBondContact OG-NH1 2.89Å; S456-R509 VanDerWaalsContact OG-NH1 3.09Å | ||
| 457 | G | 94.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | trans | 85.4 | 146.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E363 K364 | E363-G457 PolarHBondContact OE1-N 2.92Å; E363-G457 PolarHBondContact OE2-N 3.18Å; K364-G457 WeakPolarHBondContact CE-O 3.47Å; K364-G457 WeakPolarHBondContact CG-O 3.35Å | ||
| 458 | K | 94.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | trans | -111.2 | 138.5 | -177.4 | -173.5 | 173.8 | -178.5 | 178.7 | 0 | 111.4 | F362 E363 D365 F460 N469 S629 | F362-K458 WeakPolarHBondContact O-CB 3.48Å; F362-K458 PolarHBondContact O-N 2.94Å; E363-K458 WeakPolarHBondContact O-CD 3.45Å; D365-K458 IonicContact OD1-NZ 2.81Å; D365-K458 PolarHBondContact OD1-NZ 3.34Å; D365-K458 IonicContact OD2-NZ 3.94Å; D365-K458 PolarHBondContact OD2-NZ 3.38Å; K458-F460 HydrophobicContact CD-CE1 4.31Å; K458-F460 HydrophobicContact CG-CD1 4.49Å; K458-N469 VanDerWaalsContact CE-O 3.27Å; K458-N469 WeakPolarHBondContact CE-O 3.44Å; K458-N469 PolarHBondContact NZ-O 3.48Å; K458-S629 WeakPolarHBondContact O-CA 3.36Å; K458-S629 WeakPolarHBondContact O-CB 3.32Å; K458-S629 PolarHBondContact O-OG 3.45Å | ||
| 459 | L | 95.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | trans | -90.3 | 132.7 | 165.8 | -56.3 | -177.2 | 0 | 0 | 0 | 109.2 | D395 V461 N469 Y488 K628 | D395-L459 HydrophobicContact CB-CD1 4.38Å; L459-V461 HydrophobicContact CB-CG2 4.23Å; L459-N469 PolarHBondContact O-ND2 3.11Å; L459-Y488 HydrophobicContact CB-CD2 4.05Å; L459-Y488 HydrophobicContact CB-CE2 4.04Å; L459-Y488 HydrophobicContact CD1-CE2 4.37Å; L459-Y488 HydrophobicContact CD2-CE2 3.82Å; L459-Y488 HydrophobicContact CG-CE2 4.29Å; L459-K628 HydrophobicContact CD2-CD 4.38Å; L459-K628 HydrophobicContact CD2-CG 3.72Å | ||
| 460 | F | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -83.4 | 118.3 | 173.1 | -64.5 | -28.5 | 0 | 0 | 0 | 109.7 | Q361 F362 K458 F470 V475 V484 W487 Y488 S629 T630 | Q361-F460 WeakPolarHBondContact O-CE1 3.39Å; F362-F460 HydrophobicContact CD1-CE2 4.07Å; F362-F460 AromaticContact CD1-CZ 3.97Å; F362-F460 HydrophobicContact CD1-CZ 3.97Å; F362-F460 HydrophobicContact CD2-CZ 4.06Å; F362-F460 AromaticContact CE1-CE2 3.64Å; F362-F460 HydrophobicContact CE1-CE2 3.64Å; F362-F460 AromaticContact CE1-CZ 3.97Å; F362-F460 HydrophobicContact CE1-CZ 3.97Å; F362-F460 HydrophobicContact CE2-CE2 4.22Å; F362-F460 HydrophobicContact CE2-CZ 4.07Å; F362-F460 HydrophobicContact CG-CZ 4.01Å; F362-F460 AromaticContact CZ-CE2 3.72Å; F362-F460 HydrophobicContact CZ-CE2 3.72Å; F362-F460 HydrophobicContact CZ-CZ 4.02Å; K458-F460 HydrophobicContact CD-CE1 4.31Å; K458-F460 HydrophobicContact CG-CD1 4.49Å; F460-F470 HydrophobicContact CB-CD1 3.61Å; F460-F470 HydrophobicContact CB-CE1 3.54Å; F460-F470 HydrophobicContact CB-CG 4.22Å; F460-F470 HydrophobicContact CB-CZ 4.08Å; F460-F470 HydrophobicContact CD1-CB 3.7Å; F460-F470 AromaticContact CD1-CD1 3.83Å; F460-F470 HydrophobicContact CD1-CD1 3.83Å; F460-F470 HydrophobicContact CD1-CD2 4.14Å; F460-F470 HydrophobicContact CD1-CE1 4.5Å; F460-F470 AromaticContact CD1-CG 3.62Å; F460-F470 HydrophobicContact CD1-CG 3.62Å; F460-F470 HydrophobicContact CD2-CD2 4.47Å; F460-F470 HydrophobicContact CD2-CE2 4.43Å; F460-F470 HydrophobicContact CE1-CB 3.96Å; F460-F470 HydrophobicContact CE1-CD2 4.4Å; F460-F470 HydrophobicContact CE1-CG 4.14Å; F460-F470 HydrophobicContact CG-CB 4.48Å; F460-F470 AromaticContact CG-CD1 3.82Å; F460-F470 HydrophobicContact CG-CD1 3.82Å; F460-F470 HydrophobicContact CG-CD2 4.19Å; F460-F470 HydrophobicContact CG-CE1 4.04Å; F460-F470 HydrophobicContact CG-CE2 4.37Å; F460-F470 AromaticContact CG-CG 3.91Å; F460-F470 HydrophobicContact CG-CG 3.91Å; F460-F470 HydrophobicContact CG-CZ 4.3Å; F460-V475 HydrophobicContact CE2-CG1 4.13Å; F460-V475 HydrophobicContact CZ-CG1 3.86Å; F460-V484 HydrophobicContact CD2-CG1 3.88Å; F460-V484 HydrophobicContact CD2-CG2 4.32Å; F460-V484 HydrophobicContact CE2-CG1 4.27Å; F460-V484 HydrophobicContact CE2-CG2 3.87Å; F460-W487 HydrophobicContact CB-CB 4.06Å; F460-W487 VanDerWaalsContact O-CB 3.26Å; F460-W487 WeakPolarHBondContact O-CB 3.1Å; F460-Y488 WeakPolarHBondContact O-CD2 3.38Å; F460-Y488 PolarHBondContact O-N 3.02Å; F460-S629 VanDerWaalsContact CB-O 3.27Å; F460-S629 WeakPolarHBondContact CB-O 3.49Å; F460-S629 PolarHBondContact N-O 3.29Å; F460-T630 HydrophobicContact CD2-CG2 3.99Å; F460-T630 HydrophobicContact CE2-CG2 4.07Å | ||
| 461 | V | 94.5 | Very high | 92.9 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 24% | 0.236 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 137.9 | -171.8 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | L459 F468 N469 Y488 | L459-V461 HydrophobicContact CB-CG2 4.23Å; V461-F468 WeakPolarHBondContact O-CA 3.48Å; V461-N469 PolarHBondContact N-OD1 2.96Å; V461-N469 PolarHBondContact O-N 3.03Å; V461-N469 PolarHBondContact O-OD1 3.24Å; V461-Y488 WeakPolarHBondContact CA-O 3.25Å |
| 462 | Q | 94.4 | Very high | 93 | Very high | 40 Ų | 40 | 47 Ų | 47 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120 | 165.2 | -173 | 179.5 | 31.5 | 0 | 0 | 109.4 | G466 K467 F468 W487 Y488 G490 | Q462-G466 PolarHBondContact NE2-O 3.43Å; Q462-K467 WeakPolarHBondContact CA-O 3.24Å; Q462-F468 HydrophobicContact CB-CD1 3.84Å; Q462-F468 HydrophobicContact CB-CE1 3.71Å; Q462-F468 HydrophobicContact CG-CD1 4.06Å; Q462-F468 HydrophobicContact CG-CE1 3.76Å; Q462-F468 HydrophobicContact CG-CZ 4.09Å; Q462-W487 VanDerWaalsContact CB-CD1 3.45Å; Q462-W487 HydrophobicContact CB-CG 4.46Å; Q462-Y488 PolarHBondContact N-O 3.35Å; Q462-G490 PolarHBondContact O-N 3.06Å |
| 463 | D | 88.9 | Confident | 92.8 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 34% | 0.342 | 25% | 0.25 | S | S | . | . | trans | -73.8 | 171 | 177.5 | 76 | 12.6 | 0 | 0 | 0 | 112.6 | R465 G466 K467 | D463-R465 PolarHBondContact O-N 3.48Å; D463-R465 VanDerWaalsContact OD1-CA 3.3Å; D463-R465 WeakPolarHBondContact OD1-CA 3.48Å; D463-R465 WeakPolarHBondContact OD1-CB 3.38Å; D463-R465 PolarHBondContact OD1-N 3.34Å; D463-G466 PolarHBondContact O-N 3.09Å; D463-G466 PolarHBondContact OD1-N 3.42Å; D463-G466 VanDerWaalsContact OD1-N 3.08Å; D463-K467 PolarHBondContact N-O 3.44Å; D463-K467 WeakPolarHBondContact OD1-CB 3.15Å; D463-K467 PolarHBondContact OD1-N 3.13Å; D463-K467 WeakPolarHBondContact OD2-CB 3.36Å | ||
| 464 | D | 86.9 | Confident | 92.6 | Very high | 111 Ų | 111 | 55.1 Ų | 55.1 | 59% | 0.594 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -15.7 | 179.4 | -67.3 | -21 | 0 | 0 | 0 | 113.9 | K192 G466 G490 | K192-D464 IonicContact NZ-OD2 2.84Å; K192-D464 PolarHBondContact NZ-OD2 3.35Å; D464-G466 VanDerWaalsContact C-N 3.33Å; D464-G490 WeakPolarHBondContact OD1-CA 3.46Å |
| 465 | R | 89.6 | Confident | 92.8 | Very high | 235 Ų | 235 | 54.5 Ų | 54.5 | 89% | 0.887 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 2.6 | 177.1 | -56.5 | 179 | -175.8 | 179 | 3 | 111.8 | D463 K467 | D463-R465 PolarHBondContact O-N 3.48Å; D463-R465 VanDerWaalsContact OD1-CA 3.3Å; D463-R465 WeakPolarHBondContact OD1-CA 3.48Å; D463-R465 WeakPolarHBondContact OD1-CB 3.38Å; D463-R465 PolarHBondContact OD1-N 3.34Å; R465-K467 VanDerWaalsContact C-N 3.32Å |
| 466 | G | 90.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 57.9 Ų | 57.9 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 79.8 | 8.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q462 D463 D464 | Q462-G466 PolarHBondContact NE2-O 3.43Å; D463-G466 PolarHBondContact O-N 3.09Å; D463-G466 PolarHBondContact OD1-N 3.42Å; D463-G466 VanDerWaalsContact OD1-N 3.08Å; D464-G466 VanDerWaalsContact C-N 3.33Å |
| 467 | K | 92.9 | Very high | 93.2 | Very high | 153 Ų | 153 | 58.5 Ų | 58.5 | 67% | 0.665 | 30% | 0.299 | S | S | * | . | trans | -83.1 | 131 | 179.2 | -175.9 | -172.1 | 175.8 | -170.6 | 0 | 110.1 | Q462 D463 R465 | Q462-K467 WeakPolarHBondContact CA-O 3.24Å; D463-K467 PolarHBondContact N-O 3.44Å; D463-K467 WeakPolarHBondContact OD1-CB 3.15Å; D463-K467 PolarHBondContact OD1-N 3.13Å; D463-K467 WeakPolarHBondContact OD2-CB 3.36Å; R465-K467 VanDerWaalsContact C-N 3.32Å | ||
| 468 | F | 94.1 | Very high | 93.2 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -87.1 | 145.4 | 175 | -61.7 | -79.9 | 0 | 0 | 0 | 111.5 | V461 Q462 F470 W487 | V461-F468 WeakPolarHBondContact O-CA 3.48Å; Q462-F468 HydrophobicContact CB-CD1 3.84Å; Q462-F468 HydrophobicContact CB-CE1 3.71Å; Q462-F468 HydrophobicContact CG-CD1 4.06Å; Q462-F468 HydrophobicContact CG-CE1 3.76Å; Q462-F468 HydrophobicContact CG-CZ 4.09Å; F468-F470 HydrophobicContact CB-CD1 4.05Å; F468-F470 HydrophobicContact CB-CE1 4.12Å; F468-F470 WeakPolarHBondContact CB-O 3.31Å; F468-F470 HydrophobicContact CD1-CD1 4.3Å; F468-F470 AromaticContact CD1-CE1 3.54Å; F468-F470 HydrophobicContact CD1-CE1 3.54Å; F468-F470 HydrophobicContact CD1-CZ 4.05Å; F468-F470 HydrophobicContact CE1-CE1 4.35Å; F468-F470 HydrophobicContact CG-CE1 4.19Å; F468-W487 AromaticContact CE1-CD2 3.79Å; F468-W487 HydrophobicContact CE1-CD2 3.79Å; F468-W487 AromaticContact CE1-CE2 3.48Å; F468-W487 VanDerWaalsContact CE1-CE2 3.48Å; F468-W487 HydrophobicContact CE1-CE3 4.29Å; F468-W487 HydrophobicContact CE1-CG 4.19Å; F468-W487 HydrophobicContact CE1-CH2 4.34Å; F468-W487 AromaticContact CE1-CZ2 3.78Å; F468-W487 HydrophobicContact CE1-CZ2 3.78Å; F468-W487 AromaticContact CE1-NE1 3.64Å; F468-W487 HydrophobicContact CZ-CH2 4.39Å; F468-W487 AromaticContact CZ-CZ2 3.91Å; F468-W487 HydrophobicContact CZ-CZ2 3.91Å |
| 469 | N | 93.4 | Very high | 93 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -84.6 | 7.6 | 168 | 76.1 | -17.5 | 0 | 0 | 0 | 113 | K458 L459 V461 | K458-N469 VanDerWaalsContact CE-O 3.27Å; K458-N469 WeakPolarHBondContact CE-O 3.44Å; K458-N469 PolarHBondContact NZ-O 3.48Å; L459-N469 PolarHBondContact O-ND2 3.11Å; V461-N469 PolarHBondContact N-OD1 2.96Å; V461-N469 PolarHBondContact O-N 3.03Å; V461-N469 PolarHBondContact O-OD1 3.24Å |
| 470 | F | 94.8 | Very high | 92.9 | Very high | 19 Ų | 19 | 67.4 Ų | 67.4 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -143.5 | 163.5 | 179.7 | 72.8 | -76.4 | 0 | 0 | 0 | 111 | F460 F468 Q472 V475 V484 W487 | F460-F470 HydrophobicContact CB-CD1 3.61Å; F460-F470 HydrophobicContact CB-CE1 3.54Å; F460-F470 HydrophobicContact CB-CG 4.22Å; F460-F470 HydrophobicContact CB-CZ 4.08Å; F460-F470 HydrophobicContact CD1-CB 3.7Å; F460-F470 AromaticContact CD1-CD1 3.83Å; F460-F470 HydrophobicContact CD1-CD1 3.83Å; F460-F470 HydrophobicContact CD1-CD2 4.14Å; F460-F470 HydrophobicContact CD1-CE1 4.5Å; F460-F470 AromaticContact CD1-CG 3.62Å; F460-F470 HydrophobicContact CD1-CG 3.62Å; F460-F470 HydrophobicContact CD2-CD2 4.47Å; F460-F470 HydrophobicContact CD2-CE2 4.43Å; F460-F470 HydrophobicContact CE1-CB 3.96Å; F460-F470 HydrophobicContact CE1-CD2 4.4Å; F460-F470 HydrophobicContact CE1-CG 4.14Å; F460-F470 HydrophobicContact CG-CB 4.48Å; F460-F470 AromaticContact CG-CD1 3.82Å; F460-F470 HydrophobicContact CG-CD1 3.82Å; F460-F470 HydrophobicContact CG-CD2 4.19Å; F460-F470 HydrophobicContact CG-CE1 4.04Å; F460-F470 HydrophobicContact CG-CE2 4.37Å; F460-F470 AromaticContact CG-CG 3.91Å; F460-F470 HydrophobicContact CG-CG 3.91Å; F460-F470 HydrophobicContact CG-CZ 4.3Å; F468-F470 HydrophobicContact CB-CD1 4.05Å; F468-F470 HydrophobicContact CB-CE1 4.12Å; F468-F470 WeakPolarHBondContact CB-O 3.31Å; F468-F470 HydrophobicContact CD1-CD1 4.3Å; F468-F470 AromaticContact CD1-CE1 3.54Å; F468-F470 HydrophobicContact CD1-CE1 3.54Å; F468-F470 HydrophobicContact CD1-CZ 4.05Å; F468-F470 HydrophobicContact CE1-CE1 4.35Å; F468-F470 HydrophobicContact CG-CE1 4.19Å; F470-Q472 HydrophobicContact CE2-CB 4.08Å; F470-Q472 HydrophobicContact CE2-CG 4.41Å; F470-Q472 HydrophobicContact CZ-CB 4.36Å; F470-Q472 HydrophobicContact CZ-CG 4.5Å; F470-Q472 PolarHBondContact O-N 3.33Å; F470-Q472 VanDerWaalsContact O-N 3.17Å; F470-V475 HydrophobicContact CD2-CB 4.18Å; F470-V475 HydrophobicContact CD2-CG2 4.03Å; F470-V484 HydrophobicContact CE2-CB 4.13Å; F470-V484 HydrophobicContact CE2-CG1 3.96Å; F470-V484 HydrophobicContact CZ-CG1 4.08Å; F470-W487 HydrophobicContact CE1-CB 4.29Å; F470-W487 HydrophobicContact CZ-CE3 4.09Å |
| 471 | D | 94.3 | Very high | 92.8 | Very high | 78 Ų | 78 | 70.1 Ų | 70.1 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | trans | -84.8 | 86.3 | 179.1 | -174.3 | -6.3 | 0 | 0 | 0 | 111.7 | S473 N474 V475 | D471-S473 PolarHBondContact O-N 3.46Å; D471-S473 WeakPolarHBondContact OD1-CB 3.25Å; D471-S473 PolarHBondContact OD1-N 2.96Å; D471-S473 PolarHBondContact OD1-OG 3.19Å; D471-N474 PolarHBondContact O-N 2.68Å; D471-N474 PolarHBondContact OD1-N 3.03Å; D471-N474 WeakPolarHBondContact OD2-CB 3.42Å; D471-N474 PolarHBondContact OD2-ND2 3.03Å; D471-V475 HydrophobicContact CB-CG2 4.46Å; D471-V475 VanDerWaalsContact O-CG2 3.29Å; D471-V475 WeakPolarHBondContact O-CG2 3.27Å; D471-V475 PolarHBondContact O-N 3.01Å | ||
| 472 | Q | 91.6 | Very high | 92.8 | Very high | 73 Ų | 73 | 74.6 Ų | 74.6 | 34% | 0.341 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -26.7 | 178.4 | -168.9 | -172 | 39.6 | 0 | 0 | 113.6 | F470 W487 | F470-Q472 HydrophobicContact CE2-CB 4.08Å; F470-Q472 HydrophobicContact CE2-CG 4.41Å; F470-Q472 HydrophobicContact CZ-CB 4.36Å; F470-Q472 HydrophobicContact CZ-CG 4.5Å; F470-Q472 PolarHBondContact O-N 3.33Å; F470-Q472 VanDerWaalsContact O-N 3.17Å; Q472-W487 VanDerWaalsContact NE2-CZ3 3.27Å |
| 473 | S | 90.2 | Very high | 92.8 | Very high | 61 Ų | 61 | 78.8 Ų | 78.8 | 43% | 0.427 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -24.5 | -177.2 | 75.4 | 0 | 0 | 0 | 0 | 113.2 | D471 K483 | D471-S473 PolarHBondContact O-N 3.46Å; D471-S473 WeakPolarHBondContact OD1-CB 3.25Å; D471-S473 PolarHBondContact OD1-N 2.96Å; D471-S473 PolarHBondContact OD1-OG 3.19Å; S473-K483 VanDerWaalsContact O-CE 3.23Å; S473-K483 WeakPolarHBondContact O-CE 3.49Å; S473-K483 PolarHBondContact O-NZ 3.24Å |
| 474 | N | 92.4 | Very high | 93.1 | Very high | 109 Ų | 109 | 76 Ų | 76 | 58% | 0.583 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | -19.8 | -169.9 | -68.1 | -40.7 | 0 | 0 | 0 | 114.6 | D471 V476 | D471-N474 PolarHBondContact O-N 2.68Å; D471-N474 PolarHBondContact OD1-N 3.03Å; D471-N474 WeakPolarHBondContact OD2-CB 3.42Å; D471-N474 PolarHBondContact OD2-ND2 3.03Å; N474-V476 PolarHBondContact O-N 3.47Å |
| 475 | V | 95.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 75.4 Ų | 75.4 | 4% | 0.036 | 40% | 0.403 | C | S | . | . | trans | -72.3 | 120.5 | 178.5 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | Q361 F362 F460 F470 D471 V484 | Q361-V475 HydrophobicContact CB-CG1 4.1Å; Q361-V475 HydrophobicContact CB-CG2 3.93Å; Q361-V475 HydrophobicContact CG-CG2 4.13Å; F362-V475 HydrophobicContact CD2-CG1 4.5Å; F362-V475 HydrophobicContact CE2-CG1 3.84Å; F362-V475 HydrophobicContact CZ-CG1 4.42Å; F460-V475 HydrophobicContact CE2-CG1 4.13Å; F460-V475 HydrophobicContact CZ-CG1 3.86Å; F470-V475 HydrophobicContact CD2-CB 4.18Å; F470-V475 HydrophobicContact CD2-CG2 4.03Å; D471-V475 HydrophobicContact CB-CG2 4.46Å; D471-V475 VanDerWaalsContact O-CG2 3.29Å; D471-V475 WeakPolarHBondContact O-CG2 3.27Å; D471-V475 PolarHBondContact O-N 3.01Å; V475-V484 HydrophobicContact CB-CG2 4.36Å; V475-V484 HydrophobicContact CG1-CG2 3.71Å; V475-V484 PolarHBondContact O-N 2.61Å | ||
| 476 | V | 96.3 | Very high | 93.7 | Very high | 71 Ų | 71 | 66 Ų | 66 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -105.2 | 134.2 | 179.5 | 177 | 0 | 0 | 0 | 0 | 109.2 | N474 P478 G481 E482 | N474-V476 PolarHBondContact O-N 3.47Å; V476-P478 WeakPolarHBondContact O-CD 3.48Å; V476-G481 WeakPolarHBondContact CG1-O 3.44Å; V476-E482 CarbonylContact C-O 3.45Å; V476-E482 WeakPolarHBondContact CA-O 3.3Å |
| 477 | N | 95.3 | Very high | 94 | Very high | 16 Ų | 16 | 66 Ų | 66 | 9% | 0.086 | 36% | 0.363 | C | S | . | . | trans | -71.3 | 117.7 | 170.4 | -179.6 | -27.1 | 0 | 0 | 0 | 108.9 | E479 T480 G481 E482 V626 | N477-E479 PolarHBondContact O-N 3.27Å; N477-E479 WeakPolarHBondContact OD1-CB 3.42Å; N477-E479 PolarHBondContact OD1-N 3.42Å; N477-T480 WeakPolarHBondContact CB-OG1 3.48Å; N477-T480 PolarHBondContact O-N 2.84Å; N477-G481 WeakPolarHBondContact O-CA 3.45Å; N477-G481 PolarHBondContact O-N 2.92Å; N477-E482 PolarHBondContact N-O 2.77Å; N477-V626 WeakPolarHBondContact OD1-CG1 3.32Å | ||
| 478 | P | 94.5 | Very high | 94 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -19.1 | -175.7 | 30.5 | -36.8 | 0 | 0 | 0 | 113.6 | P359 V476 V626 | P359-P478 HydrophobicContact CG-CB 4.04Å; P359-P478 HydrophobicContact CG-CG 3.99Å; V476-P478 WeakPolarHBondContact O-CD 3.48Å; P478-V626 HydrophobicContact CG-CG2 3.5Å; P478-V626 VanDerWaalsContact CG-CG2 3.5Å |
| 479 | E | 92.2 | Very high | 93.9 | Very high | 75 Ų | 75 | 63.2 Ų | 63.2 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -35.1 | 178 | -64.2 | -63 | 131.6 | 0 | 0 | 112.3 | N477 C622 K623 V626 | N477-E479 PolarHBondContact O-N 3.27Å; N477-E479 WeakPolarHBondContact OD1-CB 3.42Å; N477-E479 PolarHBondContact OD1-N 3.42Å; E479-C622 PolarHBondContact OE1-SG 3.23Å; E479-C622 VanDerWaalsContact OE1-SG 3.37Å; E479-K623 HydrophobicContact CG-CG 4.1Å; E479-K623 WeakPolarHBondContact OE2-CE 3.42Å; E479-K623 VanDerWaalsContact OE2-CG 3.25Å; E479-K623 WeakPolarHBondContact OE2-CG 3.4Å; E479-V626 HydrophobicContact CG-CB 4.47Å; E479-V626 HydrophobicContact CG-CG1 4.3Å; E479-V626 HydrophobicContact CG-CG2 4.38Å |
| 480 | T | 93 | Very high | 93.4 | Very high | 84 Ų | 84 | 62.8 Ų | 62.8 | 52% | 0.515 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -21.5 | -175.7 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | N477 E482 | N477-T480 WeakPolarHBondContact CB-OG1 3.48Å; N477-T480 PolarHBondContact O-N 2.84Å; T480-E482 PolarHBondContact O-N 3.36Å; T480-E482 PolarHBondContact OG1-N 3.14Å |
| 481 | G | 93.8 | Very high | 92.6 | Very high | 56 Ų | 56 | 64 Ų | 64 | 58% | 0.577 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 72.9 | 3.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114 | V476 N477 | V476-G481 WeakPolarHBondContact CG1-O 3.44Å; N477-G481 WeakPolarHBondContact O-CA 3.45Å; N477-G481 PolarHBondContact O-N 2.92Å |
| 482 | E | 94.5 | Very high | 92.3 | Very high | 133 Ų | 133 | 62.9 Ų | 62.9 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -95.4 | 166.9 | 179.9 | -58.4 | -172.9 | 160 | 0 | 0 | 111.9 | V476 N477 T480 | V476-E482 CarbonylContact C-O 3.45Å; V476-E482 WeakPolarHBondContact CA-O 3.3Å; N477-E482 PolarHBondContact N-O 2.77Å; T480-E482 PolarHBondContact O-N 3.36Å; T480-E482 PolarHBondContact OG1-N 3.14Å |
| 483 | K | 95.2 | Very high | 92.1 | Very high | 128 Ų | 128 | 62.4 Ų | 62.4 | 56% | 0.557 | 36% | 0.358 | S | S | * | . | B | Isolated β-bridge | trans | -68.4 | 148.8 | 172.4 | -63.2 | -169.9 | -175.6 | -166.4 | 0 | 110.7 | S473 S485 | S473-K483 VanDerWaalsContact O-CE 3.23Å; S473-K483 WeakPolarHBondContact O-CE 3.49Å; S473-K483 PolarHBondContact O-NZ 3.24Å; K483-S485 PolarHBondContact O-N 3.49Å |
| 484 | V | 94.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 125.8 | 174.1 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | F362 F460 F470 V475 S486 T630 | F362-V484 HydrophobicContact CZ-CG2 4.24Å; F460-V484 HydrophobicContact CD2-CG1 3.88Å; F460-V484 HydrophobicContact CD2-CG2 4.32Å; F460-V484 HydrophobicContact CE2-CG1 4.27Å; F460-V484 HydrophobicContact CE2-CG2 3.87Å; F470-V484 HydrophobicContact CE2-CB 4.13Å; F470-V484 HydrophobicContact CE2-CG1 3.96Å; F470-V484 HydrophobicContact CZ-CG1 4.08Å; V475-V484 HydrophobicContact CB-CG2 4.36Å; V475-V484 HydrophobicContact CG1-CG2 3.71Å; V475-V484 PolarHBondContact O-N 2.61Å; V484-S486 VanDerWaalsContact CG1-O 3.26Å; V484-S486 WeakPolarHBondContact CG1-O 3.49Å; V484-T630 HydrophobicContact CG1-CG2 3.91Å; V484-T630 HydrophobicContact CG2-CG2 4.14Å |
| 485 | S | 92.7 | Very high | 91.9 | Very high | 98 Ų | 98 | 55.9 Ų | 55.9 | 69% | 0.685 | 32% | 0.318 | S | S | * | . | trans | -116.7 | -5.1 | -175.6 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | K483 W487 | K483-S485 PolarHBondContact O-N 3.49Å; S485-W487 WeakPolarHBondContact O-CZ3 3.48Å | ||
| 486 | S | 95.2 | Very high | 91.4 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | trans | -135.3 | 151.8 | 179.6 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | V484 T630 | V484-S486 VanDerWaalsContact CG1-O 3.26Å; V484-S486 WeakPolarHBondContact CG1-O 3.49Å; S486-T630 CarbonylContact C-O 3.59Å; S486-T630 WeakPolarHBondContact CB-O 3.04Å; S486-T630 VanDerWaalsContact O-O 3.08Å; S486-T630 PolarHBondContact OG-O 3.4Å | ||
| 487 | W | 96.8 | Very high | 91.2 | Very high | 31 Ų | 31 | 55.8 Ų | 55.8 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | trans | -167.1 | 166 | -174.8 | 48.6 | 86.3 | 0 | 0 | 0 | 110.7 | F460 Q462 F468 F470 Q472 S485 T630 | F460-W487 HydrophobicContact CB-CB 4.06Å; F460-W487 VanDerWaalsContact O-CB 3.26Å; F460-W487 WeakPolarHBondContact O-CB 3.1Å; Q462-W487 VanDerWaalsContact CB-CD1 3.45Å; Q462-W487 HydrophobicContact CB-CG 4.46Å; F468-W487 AromaticContact CE1-CD2 3.79Å; F468-W487 HydrophobicContact CE1-CD2 3.79Å; F468-W487 AromaticContact CE1-CE2 3.48Å; F468-W487 VanDerWaalsContact CE1-CE2 3.48Å; F468-W487 HydrophobicContact CE1-CE3 4.29Å; F468-W487 HydrophobicContact CE1-CG 4.19Å; F468-W487 HydrophobicContact CE1-CH2 4.34Å; F468-W487 AromaticContact CE1-CZ2 3.78Å; F468-W487 HydrophobicContact CE1-CZ2 3.78Å; F468-W487 AromaticContact CE1-NE1 3.64Å; F468-W487 HydrophobicContact CZ-CH2 4.39Å; F468-W487 AromaticContact CZ-CZ2 3.91Å; F468-W487 HydrophobicContact CZ-CZ2 3.91Å; F470-W487 HydrophobicContact CE1-CB 4.29Å; F470-W487 HydrophobicContact CZ-CE3 4.09Å; Q472-W487 VanDerWaalsContact NE2-CZ3 3.27Å; S485-W487 WeakPolarHBondContact O-CZ3 3.48Å; W487-T630 PolarHBondContact N-O 2.89Å | ||
| 488 | Y | 94.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 144.7 | 171 | -62.6 | -96.5 | 0 | 0 | 0 | 111.1 | L459 F460 V461 Q462 E492 T493 K497 F498 K628 A631 | L459-Y488 HydrophobicContact CB-CD2 4.05Å; L459-Y488 HydrophobicContact CB-CE2 4.04Å; L459-Y488 HydrophobicContact CD1-CE2 4.37Å; L459-Y488 HydrophobicContact CD2-CE2 3.82Å; L459-Y488 HydrophobicContact CG-CE2 4.29Å; F460-Y488 WeakPolarHBondContact O-CD2 3.38Å; F460-Y488 PolarHBondContact O-N 3.02Å; V461-Y488 WeakPolarHBondContact CA-O 3.25Å; Q462-Y488 PolarHBondContact N-O 3.35Å; Y488-E492 HydrophobicContact CD1-CB 4.39Å; Y488-T493 WeakPolarHBondContact CE1-O 3.3Å; Y488-K497 HydrophobicContact CD1-CG 3.73Å; Y488-K497 HydrophobicContact CE1-CB 3.88Å; Y488-K497 HydrophobicContact CE1-CG 3.59Å; Y488-F498 WeakPolarHBondContact OH-CE2 3.46Å; Y488-K628 VanDerWaalsContact CE2-O 3.28Å; Y488-K628 WeakPolarHBondContact CE2-O 3.46Å; Y488-K628 PolarHBondContact OH-O 3.27Å; Y488-K628 VanDerWaalsContact OH-O 3.06Å; Y488-A631 HydrophobicContact CD1-CB 4.21Å; Y488-A631 HydrophobicContact CD2-CB 3.72Å; Y488-A631 HydrophobicContact CE1-CB 4.11Å; Y488-A631 HydrophobicContact CE2-CB 3.59Å; Y488-A631 HydrophobicContact CG-CB 4Å |
| 489 | R | 91.1 | Very high | 91 | Very high | 141 Ų | 141 | 53.1 Ų | 53.1 | 53% | 0.532 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 143.2 | -178.7 | -58.9 | -178.2 | -179 | -162.3 | 0.4 | 111.8 | S491 E492 | R489-S491 PolarHBondContact O-N 3.16Å; R489-S491 VanDerWaalsContact O-N 3.16Å; R489-E492 WeakPolarHBondContact CB-OE2 3.48Å; R489-E492 PolarHBondContact N-OE2 2.81Å; R489-E492 VanDerWaalsContact O-CB 3.22Å; R489-E492 WeakPolarHBondContact O-CB 3.31Å; R489-E492 VanDerWaalsContact O-CD 3.3Å; R489-E492 WeakPolarHBondContact O-CG 3.32Å; R489-E492 PolarHBondContact O-N 2.82Å |
| 490 | G | 83.5 | Confident | 90.9 | Very high | 38 Ų | 38 | 52.9 Ų | 52.9 | 39% | 0.392 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -118.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q462 D464 | Q462-G490 PolarHBondContact O-N 3.06Å; D464-G490 WeakPolarHBondContact OD1-CA 3.46Å |
| 491 | S | 78.5 | Confident | 91 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 30% | 0.301 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 5.4 | -179.8 | 46.6 | 0 | 0 | 0 | 0 | 114.2 | D189 R489 T493 | D189-S491 PolarHBondContact O-OG 2.67Å; R489-S491 PolarHBondContact O-N 3.16Å; R489-S491 VanDerWaalsContact O-N 3.16Å; S491-T493 PolarHBondContact O-N 2.64Å |
| 492 | E | 86.6 | Confident | 91 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | trans | -63.4 | 133 | 179.3 | -65.3 | 167.7 | 159.9 | 0 | 0 | 111.1 | Y488 R489 K497 | Y488-E492 HydrophobicContact CD1-CB 4.39Å; R489-E492 WeakPolarHBondContact CB-OE2 3.48Å; R489-E492 PolarHBondContact N-OE2 2.81Å; R489-E492 VanDerWaalsContact O-CB 3.22Å; R489-E492 WeakPolarHBondContact O-CB 3.31Å; R489-E492 VanDerWaalsContact O-CD 3.3Å; R489-E492 WeakPolarHBondContact O-CG 3.32Å; R489-E492 PolarHBondContact O-N 2.82Å; E492-K497 HydrophobicContact CB-CD 4.41Å; E492-K497 HydrophobicContact CB-CG 4.22Å; E492-K497 HydrophobicContact CG-CD 4.46Å; E492-K497 WeakPolarHBondContact OE1-CE 3.45Å; E492-K497 IonicContact OE1-NZ 3.14Å; E492-K497 PolarHBondContact OE1-NZ 2.91Å; E492-K497 WeakPolarHBondContact OE2-CE 3.25Å; E492-K497 IonicContact OE2-NZ 3.67Å; E492-K497 PolarHBondContact OE2-NZ 3.19Å | ||
| 493 | T | 87.6 | Confident | 90.9 | Very high | 62 Ų | 62 | 41.1 Ų | 41.1 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | trans | -115.5 | 171.1 | 179.3 | 66.3 | 0 | 0 | 0 | 0 | 111 | Y488 S491 D495 S496 K497 | Y488-T493 WeakPolarHBondContact CE1-O 3.3Å; S491-T493 PolarHBondContact O-N 2.64Å; T493-D495 VanDerWaalsContact C-N 3.29Å; T493-D495 PolarHBondContact O-N 2.94Å; T493-D495 PolarHBondContact OG1-N 2.73Å; T493-S496 PolarHBondContact N-OG 2.98Å; T493-S496 PolarHBondContact O-N 3.33Å; T493-S496 PolarHBondContact OG1-N 3.47Å; T493-K497 WeakPolarHBondContact O-CB 3.28Å; T493-K497 WeakPolarHBondContact O-CG 3.39Å; T493-K497 PolarHBondContact O-N 3.29Å; T493-K497 VanDerWaalsContact O-N 3.09Å | ||
| 494 | W | 90.6 | Very high | 91 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -49.5 | -52.5 | 168.2 | 170.8 | -111.7 | 0 | 0 | 0 | 111.4 | K497 F498 A502 Y505 E506 K628 | W494-K497 PolarHBondContact O-N 2.95Å; W494-F498 HydrophobicContact CD2-CD2 4.36Å; W494-F498 HydrophobicContact CE3-CB 4.41Å; W494-F498 AromaticContact CE3-CD2 3.52Å; W494-F498 HydrophobicContact CE3-CD2 3.52Å; W494-F498 AromaticContact CE3-CE2 3.88Å; W494-F498 HydrophobicContact CE3-CE2 3.88Å; W494-F498 AromaticContact CE3-CG 3.94Å; W494-F498 HydrophobicContact CE3-CG 3.94Å; W494-F498 HydrophobicContact CH2-CB 4.12Å; W494-F498 AromaticContact CH2-CD1 3.52Å; W494-F498 HydrophobicContact CH2-CD1 3.52Å; W494-F498 AromaticContact CH2-CD2 3.93Å; W494-F498 HydrophobicContact CH2-CD2 3.93Å; W494-F498 AromaticContact CH2-CE1 3.85Å; W494-F498 HydrophobicContact CH2-CE1 3.85Å; W494-F498 HydrophobicContact CH2-CE2 4.24Å; W494-F498 AromaticContact CH2-CG 3.58Å; W494-F498 HydrophobicContact CH2-CG 3.58Å; W494-F498 HydrophobicContact CH2-CZ 4.2Å; W494-F498 HydrophobicContact CZ2-CB 4.28Å; W494-F498 HydrophobicContact CZ2-CD1 4.38Å; W494-F498 HydrophobicContact CZ2-CG 4.23Å; W494-F498 HydrophobicContact CZ3-CB 4.19Å; W494-F498 AromaticContact CZ3-CD1 3.67Å; W494-F498 HydrophobicContact CZ3-CD1 3.67Å; W494-F498 AromaticContact CZ3-CD2 3.24Å; W494-F498 HydrophobicContact CZ3-CD2 3.24Å; W494-F498 AromaticContact CZ3-CE1 3.77Å; W494-F498 HydrophobicContact CZ3-CE1 3.77Å; W494-F498 AromaticContact CZ3-CE2 3.37Å; W494-F498 HydrophobicContact CZ3-CE2 3.37Å; W494-F498 AromaticContact CZ3-CG 3.41Å; W494-F498 HydrophobicContact CZ3-CG 3.41Å; W494-F498 VanDerWaalsContact CZ3-CG 3.41Å; W494-F498 AromaticContact CZ3-CZ 3.64Å; W494-F498 HydrophobicContact CZ3-CZ 3.64Å; W494-F498 PolarHBondContact O-N 3.3Å; W494-A502 VanDerWaalsContact CE2-O 3.32Å; W494-A502 HydrophobicContact CZ2-CB 4.43Å; W494-A502 WeakPolarHBondContact CZ2-O 3.15Å; W494-A502 PolarHBondContact NE1-O 2.89Å; W494-Y505 AromaticContact CH2-CD1 3.52Å; W494-Y505 HydrophobicContact CH2-CD1 3.52Å; W494-Y505 AromaticContact CH2-CE1 3.99Å; W494-Y505 HydrophobicContact CH2-CE1 3.99Å; W494-Y505 AromaticContact CH2-CG 3.96Å; W494-Y505 HydrophobicContact CH2-CG 3.96Å; W494-Y505 AromaticContact CZ2-CD1 3.89Å; W494-Y505 HydrophobicContact CZ2-CD1 3.89Å; W494-Y505 HydrophobicContact CZ2-CG 4.19Å; W494-E506 HydrophobicContact CZ2-CB 4.07Å; W494-K628 HydrophobicContact CE3-CD 4.23Å; W494-K628 HydrophobicContact CE3-CG 3.8Å; W494-K628 HydrophobicContact CH2-CB 4.29Å; W494-K628 HydrophobicContact CH2-CD 4.38Å; W494-K628 HydrophobicContact CH2-CG 4.24Å; W494-K628 HydrophobicContact CZ3-CB 3.79Å; W494-K628 HydrophobicContact CZ3-CD 4.08Å; W494-K628 HydrophobicContact CZ3-CG 3.55Å |
| 495 | D | 87.3 | Confident | 91.2 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -44.3 | -178.3 | -66.5 | -14.6 | 0 | 0 | 0 | 112.4 | Y196 T493 K497 S499 | Y196-D495 PolarHBondContact OH-OD2 2.83Å; Y196-D495 VanDerWaalsContact OH-OD2 3.11Å; T493-D495 VanDerWaalsContact C-N 3.29Å; T493-D495 PolarHBondContact O-N 2.94Å; T493-D495 PolarHBondContact OG1-N 2.73Å; D495-K497 VanDerWaalsContact C-N 3.27Å; D495-K497 PolarHBondContact O-N 3.36Å; D495-S499 WeakPolarHBondContact O-CA 3.5Å; D495-S499 PolarHBondContact O-N 3.24Å |
| 496 | S | 86.4 | Confident | 91.4 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.5 | -27.1 | -178.5 | 80.4 | 0 | 0 | 0 | 0 | 112.8 | T493 | T493-S496 PolarHBondContact N-OG 2.98Å; T493-S496 PolarHBondContact O-N 3.33Å; T493-S496 PolarHBondContact OG1-N 3.47Å |
| 497 | K | 90.6 | Very high | 91.5 | Very high | 60 Ų | 60 | 29.3 Ų | 29.3 | 26% | 0.261 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -83.5 | -50.1 | 178.3 | -75.2 | -56.5 | -159.3 | -171.4 | 0 | 114.3 | Y488 E492 T493 W494 D495 V633 | Y488-K497 HydrophobicContact CD1-CG 3.73Å; Y488-K497 HydrophobicContact CE1-CB 3.88Å; Y488-K497 HydrophobicContact CE1-CG 3.59Å; E492-K497 HydrophobicContact CB-CD 4.41Å; E492-K497 HydrophobicContact CB-CG 4.22Å; E492-K497 HydrophobicContact CG-CD 4.46Å; E492-K497 WeakPolarHBondContact OE1-CE 3.45Å; E492-K497 IonicContact OE1-NZ 3.14Å; E492-K497 PolarHBondContact OE1-NZ 2.91Å; E492-K497 WeakPolarHBondContact OE2-CE 3.25Å; E492-K497 IonicContact OE2-NZ 3.67Å; E492-K497 PolarHBondContact OE2-NZ 3.19Å; T493-K497 WeakPolarHBondContact O-CB 3.28Å; T493-K497 WeakPolarHBondContact O-CG 3.39Å; T493-K497 PolarHBondContact O-N 3.29Å; T493-K497 VanDerWaalsContact O-N 3.09Å; W494-K497 PolarHBondContact O-N 2.95Å; D495-K497 VanDerWaalsContact C-N 3.27Å; D495-K497 PolarHBondContact O-N 3.36Å; K497-V633 HydrophobicContact CB-CG2 4.16Å; K497-V633 WeakPolarHBondContact O-CG2 3.37Å |
| 498 | F | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -90.8 | -15.6 | -174.6 | -78.9 | -106.8 | 0 | 0 | 0 | 112.4 | Y488 W494 T500 I501 A502 V633 R637 | Y488-F498 WeakPolarHBondContact OH-CE2 3.46Å; W494-F498 HydrophobicContact CD2-CD2 4.36Å; W494-F498 HydrophobicContact CE3-CB 4.41Å; W494-F498 AromaticContact CE3-CD2 3.52Å; W494-F498 HydrophobicContact CE3-CD2 3.52Å; W494-F498 AromaticContact CE3-CE2 3.88Å; W494-F498 HydrophobicContact CE3-CE2 3.88Å; W494-F498 AromaticContact CE3-CG 3.94Å; W494-F498 HydrophobicContact CE3-CG 3.94Å; W494-F498 HydrophobicContact CH2-CB 4.12Å; W494-F498 AromaticContact CH2-CD1 3.52Å; W494-F498 HydrophobicContact CH2-CD1 3.52Å; W494-F498 AromaticContact CH2-CD2 3.93Å; W494-F498 HydrophobicContact CH2-CD2 3.93Å; W494-F498 AromaticContact CH2-CE1 3.85Å; W494-F498 HydrophobicContact CH2-CE1 3.85Å; W494-F498 HydrophobicContact CH2-CE2 4.24Å; W494-F498 AromaticContact CH2-CG 3.58Å; W494-F498 HydrophobicContact CH2-CG 3.58Å; W494-F498 HydrophobicContact CH2-CZ 4.2Å; W494-F498 HydrophobicContact CZ2-CB 4.28Å; W494-F498 HydrophobicContact CZ2-CD1 4.38Å; W494-F498 HydrophobicContact CZ2-CG 4.23Å; W494-F498 HydrophobicContact CZ3-CB 4.19Å; W494-F498 AromaticContact CZ3-CD1 3.67Å; W494-F498 HydrophobicContact CZ3-CD1 3.67Å; W494-F498 AromaticContact CZ3-CD2 3.24Å; W494-F498 HydrophobicContact CZ3-CD2 3.24Å; W494-F498 AromaticContact CZ3-CE1 3.77Å; W494-F498 HydrophobicContact CZ3-CE1 3.77Å; W494-F498 AromaticContact CZ3-CE2 3.37Å; W494-F498 HydrophobicContact CZ3-CE2 3.37Å; W494-F498 AromaticContact CZ3-CG 3.41Å; W494-F498 HydrophobicContact CZ3-CG 3.41Å; W494-F498 VanDerWaalsContact CZ3-CG 3.41Å; W494-F498 AromaticContact CZ3-CZ 3.64Å; W494-F498 HydrophobicContact CZ3-CZ 3.64Å; W494-F498 PolarHBondContact O-N 3.3Å; F498-T500 PolarHBondContact O-N 2.72Å; F498-T500 VanDerWaalsContact O-N 3.14Å; F498-I501 HydrophobicContact CB-CG1 4.35Å; F498-I501 HydrophobicContact CD1-CD1 3.99Å; F498-I501 HydrophobicContact CD1-CG1 4.29Å; F498-I501 VanDerWaalsContact O-CG1 3.3Å; F498-I501 WeakPolarHBondContact O-CG1 3.16Å; F498-I501 PolarHBondContact O-N 2.98Å; F498-I501 VanDerWaalsContact O-N 3.14Å; F498-A502 HydrophobicContact CB-CB 3.71Å; F498-V633 HydrophobicContact CD2-CG2 4.08Å; F498-V633 HydrophobicContact CE2-CG2 3.95Å; F498-V633 HydrophobicContact CZ-CG2 4.28Å; F498-R637 PolarHBondContact O-NH2 3.42Å |
| 499 | S | 92.3 | Very high | 91.8 | Very high | 16 Ų | 16 | 27.8 Ų | 27.8 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | 43.8 | -112.2 | 171.9 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | F321 D495 I501 A502 R637 | F321-S499 CarbonylContact O-C 3.48Å; D495-S499 WeakPolarHBondContact O-CA 3.5Å; D495-S499 PolarHBondContact O-N 3.24Å; S499-I501 PolarHBondContact O-N 3.46Å; S499-A502 VanDerWaalsContact O-CB 3.26Å; S499-A502 WeakPolarHBondContact O-CB 3.36Å; S499-A502 PolarHBondContact O-N 3.32Å; S499-R637 PolarHBondContact OG-NH2 2.92Å |
| 500 | T | 90.8 | Very high | 92.1 | Very high | 69 Ų | 69 | 21 Ų | 21 | 42% | 0.423 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -61.3 | -17.9 | -173.1 | 55.5 | 0 | 0 | 0 | 0 | 115.2 | F498 R637 | F498-T500 PolarHBondContact O-N 2.72Å; F498-T500 VanDerWaalsContact O-N 3.14Å; T500-R637 PolarHBondContact OG1-NH1 3.41Å; T500-R637 PolarHBondContact OG1-NH2 3.16Å |
| 501 | I | 94.8 | Very high | 92.8 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 4% | 0.036 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -109.9 | -6.1 | 175.6 | 63.6 | 156.8 | 0 | 0 | 0 | 113.1 | F498 S499 S503 S504 Y505 R637 Y640 | F498-I501 HydrophobicContact CB-CG1 4.35Å; F498-I501 HydrophobicContact CD1-CD1 3.99Å; F498-I501 HydrophobicContact CD1-CG1 4.29Å; F498-I501 VanDerWaalsContact O-CG1 3.3Å; F498-I501 WeakPolarHBondContact O-CG1 3.16Å; F498-I501 PolarHBondContact O-N 2.98Å; F498-I501 VanDerWaalsContact O-N 3.14Å; S499-I501 PolarHBondContact O-N 3.46Å; I501-S503 PolarHBondContact O-N 2.93Å; I501-S504 PolarHBondContact O-N 3.03Å; I501-Y505 HydrophobicContact CD1-CD2 4.18Å; I501-Y505 WeakPolarHBondContact O-CB 3.35Å; I501-Y505 PolarHBondContact O-N 2.93Å; I501-R637 HydrophobicContact CD1-CB 4.39Å; I501-R637 HydrophobicContact CD1-CG 3.49Å; I501-R637 VanDerWaalsContact CD1-CG 3.49Å; I501-R637 HydrophobicContact CG1-CG 4.24Å; I501-Y640 HydrophobicContact CB-CD1 4.43Å |
| 502 | A | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -53.7 | -54.8 | -172 | 0 | 0 | 0 | 0 | 0 | 111.8 | W494 F498 S499 E506 | W494-A502 VanDerWaalsContact CE2-O 3.32Å; W494-A502 HydrophobicContact CZ2-CB 4.43Å; W494-A502 WeakPolarHBondContact CZ2-O 3.15Å; W494-A502 PolarHBondContact NE1-O 2.89Å; F498-A502 HydrophobicContact CB-CB 3.71Å; S499-A502 VanDerWaalsContact O-CB 3.26Å; S499-A502 WeakPolarHBondContact O-CB 3.36Å; S499-A502 PolarHBondContact O-N 3.32Å; A502-E506 WeakPolarHBondContact O-CB 3.31Å; A502-E506 PolarHBondContact O-N 3.44Å; A502-E506 VanDerWaalsContact O-N 3.1Å |
| 503 | S | 92.7 | Very high | 94.4 | Very high | 20 Ų | 20 | 14.9 Ų | 14.9 | 14% | 0.14 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.9 | -54.3 | -178.4 | -44.2 | 0 | 0 | 0 | 0 | 111.7 | I501 Y505 E506 E507 | I501-S503 PolarHBondContact O-N 2.93Å; S503-Y505 VanDerWaalsContact C-N 3.33Å; S503-Y505 PolarHBondContact O-N 2.91Å; S503-E506 PolarHBondContact O-N 2.94Å; S503-E506 VanDerWaalsContact O-N 3.16Å; S503-E507 WeakPolarHBondContact O-CG 3.39Å; S503-E507 PolarHBondContact O-N 2.89Å |
| 504 | S | 97.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 12 Ų | 12 | 3% | 0.028 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.1 | -43 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 112.9 | I501 E507 C508 A566 Q569 Y640 | I501-S504 PolarHBondContact O-N 3.03Å; S504-E507 PolarHBondContact O-N 3.45Å; S504-C508 WeakPolarHBondContact O-CB 3.36Å; S504-C508 PolarHBondContact O-N 3.27Å; S504-A566 PolarHBondContact OG-O 3.32Å; S504-Q569 VanDerWaalsContact CB-OE1 3.25Å; S504-Q569 WeakPolarHBondContact OG-CB 3.44Å; S504-Q569 WeakPolarHBondContact OG-CG 3.22Å; S504-Q569 PolarHBondContact OG-OE1 2.73Å; S504-Y640 PolarHBondContact O-OH 3.5Å; S504-Y640 WeakPolarHBondContact OG-CE1 3.36Å; S504-Y640 PolarHBondContact OG-OH 2.97Å |
| 505 | Y | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 178.1 | -172.3 | -66.4 | 0 | 0 | 0 | 111.5 | W494 I501 S503 C508 R509 L624 F627 K628 Y640 | W494-Y505 AromaticContact CH2-CD1 3.52Å; W494-Y505 HydrophobicContact CH2-CD1 3.52Å; W494-Y505 AromaticContact CH2-CE1 3.99Å; W494-Y505 HydrophobicContact CH2-CE1 3.99Å; W494-Y505 AromaticContact CH2-CG 3.96Å; W494-Y505 HydrophobicContact CH2-CG 3.96Å; W494-Y505 AromaticContact CZ2-CD1 3.89Å; W494-Y505 HydrophobicContact CZ2-CD1 3.89Å; W494-Y505 HydrophobicContact CZ2-CG 4.19Å; I501-Y505 HydrophobicContact CD1-CD2 4.18Å; I501-Y505 WeakPolarHBondContact O-CB 3.35Å; I501-Y505 PolarHBondContact O-N 2.93Å; S503-Y505 VanDerWaalsContact C-N 3.33Å; S503-Y505 PolarHBondContact O-N 2.91Å; Y505-C508 WeakPolarHBondContact O-CB 3.39Å; Y505-C508 PolarHBondContact O-N 2.93Å; Y505-R509 PolarHBondContact O-N 3.46Å; Y505-L624 HydrophobicContact CD1-CD2 4.16Å; Y505-L624 HydrophobicContact CD2-CD2 4.22Å; Y505-L624 HydrophobicContact CE1-CB 4.03Å; Y505-L624 HydrophobicContact CE1-CD2 3.59Å; Y505-L624 HydrophobicContact CE1-CG 4.37Å; Y505-L624 WeakPolarHBondContact CE1-O 3.22Å; Y505-L624 HydrophobicContact CE2-CD2 3.67Å; Y505-L624 HydrophobicContact CG-CD2 4.45Å; Y505-L624 WeakPolarHBondContact OH-CA 3.05Å; Y505-L624 PolarHBondContact OH-O 3.49Å; Y505-F627 WeakPolarHBondContact OH-CB 3.25Å; Y505-K628 HydrophobicContact CE1-CB 4.41Å; Y505-Y640 HydrophobicContact CD2-CD1 4.31Å; Y505-Y640 AromaticContact CD2-CD2 3.7Å; Y505-Y640 HydrophobicContact CD2-CD2 3.7Å; Y505-Y640 HydrophobicContact CD2-CE2 4.43Å; Y505-Y640 AromaticContact CD2-CG 3.64Å; Y505-Y640 HydrophobicContact CD2-CG 3.64Å; Y505-Y640 HydrophobicContact CE2-CD2 4.3Å; Y505-Y640 HydrophobicContact CE2-CG 4.35Å; Y505-Y640 HydrophobicContact CG-CD2 4.22Å; Y505-Y640 HydrophobicContact CG-CG 4.41Å |
| 506 | E | 96.9 | Very high | 95.8 | Very high | 14 Ų | 14 | 11.3 Ų | 11.3 | 7% | 0.065 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.4 | -40.2 | 178.1 | 175.8 | 56.4 | -174.1 | 0 | 0 | 112.1 | H454 W494 A502 S503 C508 R509 A510 K628 | H454-E506 IonicContact CE1-OE1 3.73Å; H454-E506 IonicContact CG-OE1 3.35Å; H454-E506 IonicContact ND1-OE1 2.95Å; H454-E506 PolarHBondContact ND1-OE1 3.05Å; W494-E506 HydrophobicContact CZ2-CB 4.07Å; A502-E506 WeakPolarHBondContact O-CB 3.31Å; A502-E506 PolarHBondContact O-N 3.44Å; A502-E506 VanDerWaalsContact O-N 3.1Å; S503-E506 PolarHBondContact O-N 2.94Å; S503-E506 VanDerWaalsContact O-N 3.16Å; E506-C508 VanDerWaalsContact C-N 3.31Å; E506-C508 PolarHBondContact O-N 3.14Å; E506-R509 WeakPolarHBondContact O-CB 3.14Å; E506-R509 PolarHBondContact O-N 2.85Å; E506-R509 IonicContact OE1-CZ 2.73Å; E506-R509 IonicContact OE1-NE 2.69Å; E506-R509 IonicContact OE1-NH2 2.73Å; E506-R509 PolarHBondContact OE1-NH2 2.88Å; E506-R509 IonicContact OE2-CZ 3.24Å; E506-R509 IonicContact OE2-NE 3.28Å; E506-R509 PolarHBondContact OE2-NE 3.49Å; E506-R509 IonicContact OE2-NH2 2.9Å; E506-A510 PolarHBondContact O-N 3.48Å; E506-K628 IonicContact OE1-NZ 2.67Å; E506-K628 PolarHBondContact OE1-NZ 3.23Å; E506-K628 IonicContact OE2-NZ 3.72Å; E506-K628 PolarHBondContact OE2-NZ 2.98Å |
| 507 | E | 97.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 10.6 Ų | 10.6 | 2% | 0.023 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 172.9 | -67.5 | -50.2 | 152 | 0 | 0 | 111.7 | Y317 H449 H454 S503 S504 R509 A510 E511 A566 H567 A570 | Y317-E507 PolarHBondContact OH-OE1 3.37Å; H449-E507 IonicContact CE1-OE2 2.69Å; H449-E507 PolarHBondContact CE1-OE2 2.91Å; H449-E507 IonicContact NE2-OE2 3.23Å; H449-E507 PolarHBondContact NE2-OE2 3.32Å; H454-E507 IonicContact CE1-OE1 2.75Å; H454-E507 IonicContact CE1-OE2 3.31Å; H454-E507 IonicContact NE2-OE1 2.6Å; H454-E507 IonicContact NE2-OE2 2.95Å; S503-E507 WeakPolarHBondContact O-CG 3.39Å; S503-E507 PolarHBondContact O-N 2.89Å; S504-E507 PolarHBondContact O-N 3.45Å; E507-R509 VanDerWaalsContact C-N 3.34Å; E507-R509 PolarHBondContact O-N 2.86Å; E507-A510 PolarHBondContact O-N 2.98Å; E507-E511 WeakPolarHBondContact O-CB 3.28Å; E507-E511 WeakPolarHBondContact O-CG 3.14Å; E507-E511 PolarHBondContact O-N 2.9Å; E507-A566 HydrophobicContact CG-CB 4.36Å; E507-H567 IonicContact OE1-CE1 2.79Å; E507-H567 IonicContact OE1-NE2 3.57Å; E507-H567 IonicContact OE2-CE1 2.59Å; E507-H567 PolarHBondContact OE2-CE1 3.46Å; E507-H567 IonicContact OE2-ND1 2.96Å; E507-H567 PolarHBondContact OE2-ND1 3.31Å; E507-H567 VanDerWaalsContact OE2-ND1 3.13Å; E507-H567 IonicContact OE2-NE2 3.06Å; E507-A570 HydrophobicContact CB-CB 4.13Å |
| 508 | C | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.6 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | S504 Y505 E506 C512 A570 Y640 | S504-C508 WeakPolarHBondContact O-CB 3.36Å; S504-C508 PolarHBondContact O-N 3.27Å; Y505-C508 WeakPolarHBondContact O-CB 3.39Å; Y505-C508 PolarHBondContact O-N 2.93Å; E506-C508 VanDerWaalsContact C-N 3.31Å; E506-C508 PolarHBondContact O-N 3.14Å; C508-C512 WeakPolarHBondContact O-CB 3.3Å; C508-C512 PolarHBondContact O-N 3.33Å; C508-C512 PolarHBondContact O-SG 3.1Å; C508-A570 HydrophobicContact CB-CB 3.56Å; C508-Y640 HydrophobicContact CB-CE2 3.58Å |
| 509 | R | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60.7 | -48.7 | 175.4 | -167.3 | -168.5 | 68 | 84 | 7.9 | 111.3 | G453 S456 Y505 E506 E507 C512 V513 L621 L624 Q625 | G453-R509 VanDerWaalsContact C-NH2 3.32Å; G453-R509 PolarHBondContact O-NH1 2.87Å; G453-R509 PolarHBondContact O-NH2 3.14Å; S456-R509 PolarHBondContact O-NH1 2.79Å; S456-R509 PolarHBondContact OG-NH1 2.89Å; S456-R509 VanDerWaalsContact OG-NH1 3.09Å; Y505-R509 PolarHBondContact O-N 3.46Å; E506-R509 WeakPolarHBondContact O-CB 3.14Å; E506-R509 PolarHBondContact O-N 2.85Å; E506-R509 IonicContact OE1-CZ 2.73Å; E506-R509 IonicContact OE1-NE 2.69Å; E506-R509 IonicContact OE1-NH2 2.73Å; E506-R509 PolarHBondContact OE1-NH2 2.88Å; E506-R509 IonicContact OE2-CZ 3.24Å; E506-R509 IonicContact OE2-NE 3.28Å; E506-R509 PolarHBondContact OE2-NE 3.49Å; E506-R509 IonicContact OE2-NH2 2.9Å; E507-R509 VanDerWaalsContact C-N 3.34Å; E507-R509 PolarHBondContact O-N 2.86Å; R509-C512 WeakPolarHBondContact O-CB 3.28Å; R509-C512 PolarHBondContact O-N 3.37Å; R509-V513 WeakPolarHBondContact O-CG2 3.45Å; R509-V513 PolarHBondContact O-N 3.28Å; R509-L621 HydrophobicContact CG-CD1 3.61Å; R509-L624 HydrophobicContact CB-CD1 4.12Å; R509-L624 HydrophobicContact CG-CB 4.27Å; R509-L624 HydrophobicContact CG-CD1 4.49Å; R509-Q625 VanDerWaalsContact NH1-OE1 3.15Å |
| 510 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H449 E506 E507 C512 V513 G514 | H449-A510 VanDerWaalsContact CE1-CB 3.46Å; H449-A510 WeakPolarHBondContact CE1-CB 3.43Å; H449-A510 VanDerWaalsContact ND1-C 3.35Å; H449-A510 WeakPolarHBondContact ND1-CB 3.28Å; E506-A510 PolarHBondContact O-N 3.48Å; E507-A510 PolarHBondContact O-N 2.98Å; A510-C512 VanDerWaalsContact C-N 3.34Å; A510-C512 PolarHBondContact O-N 3.47Å; A510-V513 PolarHBondContact O-N 2.71Å; A510-G514 PolarHBondContact O-N 3.05Å; A510-G514 VanDerWaalsContact O-N 3.09Å |
| 511 | E | 98.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 14.6 Ų | 14.6 | 4% | 0.037 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 173.6 | -69.9 | -80.1 | -150.9 | 0 | 0 | 111.8 | Q445 H449 E507 G514 L515 M545 R571 I574 | Q445-E511 PolarHBondContact NE2-O 2.94Å; Q445-E511 PolarHBondContact NE2-OE2 2.85Å; H449-E511 PolarHBondContact ND1-N 3.38Å; H449-E511 IonicContact ND1-OE2 3.77Å; E507-E511 WeakPolarHBondContact O-CB 3.28Å; E507-E511 WeakPolarHBondContact O-CG 3.14Å; E507-E511 PolarHBondContact O-N 2.9Å; E511-G514 PolarHBondContact O-N 3.25Å; E511-L515 PolarHBondContact O-N 3.46Å; E511-M545 HydrophobicContact CB-CE 3.87Å; E511-M545 HydrophobicContact CG-CE 4.28Å; E511-M545 WeakPolarHBondContact OE2-CE 3.15Å; E511-R571 IonicContact OE1-CZ 3.89Å; E511-R571 IonicContact OE1-NE 3.36Å; E511-R571 PolarHBondContact OE1-NE 2.74Å; E511-R571 VanDerWaalsContact OE1-NE 3.1Å; E511-R571 IonicContact OE1-NH2 2.71Å; E511-R571 PolarHBondContact OE1-NH2 3.01Å; E511-I574 HydrophobicContact CB-CD1 3.66Å |
| 512 | C | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 174.7 | -75.2 | 0 | 0 | 0 | 0 | 112.5 | C508 R509 A510 G514 L515 Y516 I617 L621 | C508-C512 WeakPolarHBondContact O-CB 3.3Å; C508-C512 PolarHBondContact O-N 3.33Å; C508-C512 PolarHBondContact O-SG 3.1Å; R509-C512 WeakPolarHBondContact O-CB 3.28Å; R509-C512 PolarHBondContact O-N 3.37Å; A510-C512 VanDerWaalsContact C-N 3.34Å; A510-C512 PolarHBondContact O-N 3.47Å; C512-G514 VanDerWaalsContact C-N 3.33Å; C512-L515 PolarHBondContact O-N 2.88Å; C512-Y516 VanDerWaalsContact O-CB 3.23Å; C512-Y516 WeakPolarHBondContact O-CB 3.33Å; C512-Y516 PolarHBondContact O-N 3.34Å; C512-I617 HydrophobicContact CB-CG2 4.08Å; C512-L621 HydrophobicContact CB-CB 4.4Å; C512-L621 HydrophobicContact CB-CD1 3.97Å; C512-L621 HydrophobicContact CB-CD2 4.34Å; C512-L621 HydrophobicContact CB-CG 4.47Å |
| 513 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 173.6 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | L356 W358 L452 R509 A510 L515 Y516 L517 L621 | L356-V513 HydrophobicContact CD2-CB 4.45Å; L356-V513 HydrophobicContact CD2-CG1 3.84Å; L356-V513 HydrophobicContact CD2-CG2 4Å; W358-V513 HydrophobicContact CH2-CG2 4.16Å; L452-V513 HydrophobicContact CB-CG1 4.03Å; L452-V513 WeakPolarHBondContact O-CG1 3.44Å; R509-V513 WeakPolarHBondContact O-CG2 3.45Å; R509-V513 PolarHBondContact O-N 3.28Å; A510-V513 PolarHBondContact O-N 2.71Å; V513-L515 PolarHBondContact O-N 2.92Å; V513-Y516 PolarHBondContact O-N 2.72Å; V513-L517 HydrophobicContact CG1-CD1 3.74Å; V513-L517 HydrophobicContact CG1-CG 4.19Å; V513-L517 WeakPolarHBondContact O-CB 3.44Å; V513-L517 PolarHBondContact O-N 2.91Å; V513-L621 HydrophobicContact CG2-CD1 4.05Å; V513-L621 HydrophobicContact CG2-CD2 3.79Å |
| 514 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.6 | -47.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L448 A510 E511 C512 Y516 C518 | L448-G514 WeakPolarHBondContact CD1-O 3.41Å; A510-G514 PolarHBondContact O-N 3.05Å; A510-G514 VanDerWaalsContact O-N 3.09Å; E511-G514 PolarHBondContact O-N 3.25Å; C512-G514 VanDerWaalsContact C-N 3.33Å; G514-Y516 VanDerWaalsContact C-N 3.35Å; G514-Y516 PolarHBondContact O-N 3.44Å; G514-C518 VanDerWaalsContact O-CB 3.23Å; G514-C518 WeakPolarHBondContact O-CB 3.45Å; G514-C518 PolarHBondContact O-N 2.97Å |
| 515 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | 176 | -71.3 | -179.9 | 0 | 0 | 0 | 112.9 | E511 C512 V513 C518 W542 M545 I574 | E511-L515 PolarHBondContact O-N 3.46Å; C512-L515 PolarHBondContact O-N 2.88Å; V513-L515 PolarHBondContact O-N 2.92Å; L515-C518 PolarHBondContact O-SG 3.02Å; L515-W542 HydrophobicContact CB-CZ2 4.06Å; L515-W542 HydrophobicContact CD2-CD2 4.22Å; L515-W542 HydrophobicContact CD2-CG 4.07Å; L515-W542 WeakPolarHBondContact O-CZ2 3.43Å; L515-W542 PolarHBondContact O-NE1 2.87Å; L515-M545 HydrophobicContact CD1-CB 4.12Å; L515-M545 HydrophobicContact CD1-CE 4.08Å; L515-M545 HydrophobicContact CD1-CG 3.59Å; L515-M545 HydrophobicContact CD1-SD 4.42Å; L515-M545 HydrophobicContact CD2-CB 4.05Å; L515-M545 HydrophobicContact CD2-CE 4.33Å; L515-M545 HydrophobicContact CD2-CG 4.41Å; L515-M545 HydrophobicContact CG-CE 4.12Å; L515-M545 HydrophobicContact CG-CG 4.42Å; L515-I574 HydrophobicContact CD1-CG2 3.83Å |
| 516 | Y | 98.5 | Very high | 97 | Very high | 19 Ų | 19 | 21 Ų | 21 | 8% | 0.075 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -70.3 | -47 | -176.4 | -173.2 | -98.1 | 0 | 0 | 0 | 111.9 | E355 C512 V513 G514 K614 I617 H618 | E355-Y516 VanDerWaalsContact O-CE1 3.25Å; E355-Y516 WeakPolarHBondContact O-CE1 3.22Å; C512-Y516 VanDerWaalsContact O-CB 3.23Å; C512-Y516 WeakPolarHBondContact O-CB 3.33Å; C512-Y516 PolarHBondContact O-N 3.34Å; V513-Y516 PolarHBondContact O-N 2.72Å; G514-Y516 VanDerWaalsContact C-N 3.35Å; G514-Y516 PolarHBondContact O-N 3.44Å; Y516-K614 HydrophobicContact CD2-CG 4.09Å; Y516-K614 HydrophobicContact CE2-CD 4.41Å; Y516-K614 HydrophobicContact CE2-CG 3.7Å; Y516-I617 HydrophobicContact CD2-CG2 4.19Å; Y516-H618 HydrophobicContact CE2-CB 3.88Å; Y516-H618 AromaticContact CE2-ND1 3.99Å; Y516-H618 AromaticContact CZ-ND1 3.86Å; Y516-H618 PolarHBondContact OH-ND1 2.99Å; Y516-H618 VanDerWaalsContact OH-ND1 3.13Å |
| 517 | L | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -81.7 | -19.4 | -177.5 | -67 | -176.7 | 0 | 0 | 0 | 113.6 | E355 L356 L448 L452 V513 L519 N520 | E355-L517 HydrophobicContact CB-CD2 4.16Å; L356-L517 HydrophobicContact CD2-CD1 3.89Å; L356-L517 HydrophobicContact CD2-CD2 4.14Å; L356-L517 HydrophobicContact CD2-CG 3.98Å; L448-L517 HydrophobicContact CD1-CB 4.04Å; L448-L517 HydrophobicContact CD2-CB 3.93Å; L448-L517 HydrophobicContact CD2-CD1 4.31Å; L452-L517 HydrophobicContact CB-CD1 3.89Å; L452-L517 HydrophobicContact CD1-CD1 3.51Å; L452-L517 HydrophobicContact CG-CD1 4.34Å; V513-L517 HydrophobicContact CG1-CD1 3.74Å; V513-L517 HydrophobicContact CG1-CG 4.19Å; V513-L517 WeakPolarHBondContact O-CB 3.44Å; V513-L517 PolarHBondContact O-N 2.91Å; L517-L519 PolarHBondContact O-N 2.67Å; L517-L519 VanDerWaalsContact O-N 3.1Å; L517-N520 VanDerWaalsContact O-CB 3.24Å; L517-N520 WeakPolarHBondContact O-CB 3.16Å; L517-N520 PolarHBondContact O-N 3.2Å |
| 518 | C | 97.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.6 | 174.6 | 77.6 | 0 | 0 | 0 | 0 | 112.7 | V444 L448 G514 L515 N520 L524 V538 N541 W542 | V444-C518 HydrophobicContact CG1-CB 3.96Å; L448-C518 HydrophobicContact CD1-CB 3.92Å; G514-C518 VanDerWaalsContact O-CB 3.23Å; G514-C518 WeakPolarHBondContact O-CB 3.45Å; G514-C518 PolarHBondContact O-N 2.97Å; L515-C518 PolarHBondContact O-SG 3.02Å; C518-N520 PolarHBondContact O-N 3.14Å; C518-L524 WeakPolarHBondContact O-CD1 3.17Å; C518-L524 WeakPolarHBondContact O-CG 3.42Å; C518-V538 VanDerWaalsContact O-CG2 3.29Å; C518-V538 WeakPolarHBondContact O-CG2 3.36Å; C518-N541 PolarHBondContact SG-ND2 2.64Å; C518-W542 PolarHBondContact SG-NE1 2.81Å |
| 519 | L | 97.7 | Very high | 96.3 | Very high | 32 Ų | 32 | 23.6 Ų | 23.6 | 17% | 0.168 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.3 | 173.6 | -56.3 | -178.8 | 0 | 0 | 0 | 113.2 | L517 V538 W542 I609 K614 | L517-L519 PolarHBondContact O-N 2.67Å; L517-L519 VanDerWaalsContact O-N 3.1Å; L519-V538 HydrophobicContact CD2-CG1 3.44Å; L519-V538 VanDerWaalsContact CD2-CG1 3.44Å; L519-V538 HydrophobicContact CD2-CG2 4.48Å; L519-W542 HydrophobicContact CD1-CZ2 4.09Å; L519-W542 HydrophobicContact CD2-CZ2 4.46Å; L519-W542 HydrophobicContact CG-CZ2 4.42Å; L519-I609 HydrophobicContact CD2-CG2 3.71Å; L519-K614 HydrophobicContact CD1-CB 3.87Å; L519-K614 HydrophobicContact CD1-CD 3.9Å; L519-K614 HydrophobicContact CD1-CG 3.89Å |
| 520 | N | 96.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | trans | -78 | 124.5 | 180 | -174.3 | -55.2 | 0 | 0 | 0 | 110.6 | E355 L517 C518 Q522 V523 L524 | E355-N520 PolarHBondContact OE1-ND2 3.27Å; E355-N520 PolarHBondContact OE2-ND2 3.48Å; L517-N520 VanDerWaalsContact O-CB 3.24Å; L517-N520 WeakPolarHBondContact O-CB 3.16Å; L517-N520 PolarHBondContact O-N 3.2Å; C518-N520 PolarHBondContact O-N 3.14Å; N520-Q522 VanDerWaalsContact C-N 3.34Å; N520-Q522 PolarHBondContact O-N 3.05Å; N520-Q522 WeakPolarHBondContact OD1-CA 3.47Å; N520-Q522 VanDerWaalsContact OD1-CB 3.24Å; N520-Q522 WeakPolarHBondContact OD1-CB 3.49Å; N520-Q522 PolarHBondContact OD1-N 2.95Å; N520-V523 HydrophobicContact CB-CB 4.15Å; N520-V523 HydrophobicContact CB-CG2 3.83Å; N520-V523 WeakPolarHBondContact O-CB 3.38Å; N520-V523 PolarHBondContact O-N 2.99Å; N520-V523 PolarHBondContact OD1-N 3.18Å; N520-L524 PolarHBondContact O-N 3.32Å; N520-L524 VanDerWaalsContact O-N 3.15Å | ||
| 521 | K | 94.9 | Very high | 95.9 | Very high | 173 Ų | 173 | 32.4 Ų | 32.4 | 75% | 0.752 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -64.6 | -34.9 | -178.3 | -65.2 | -175 | 178.7 | -176.2 | 0 | 113.3 | V523 L524 S525 | K521-V523 VanDerWaalsContact C-N 3.32Å; K521-L524 PolarHBondContact O-N 2.72Å; K521-S525 WeakPolarHBondContact O-CB 3.49Å; K521-S525 PolarHBondContact O-N 3.1Å |
| 522 | Q | 94.1 | Very high | 95.8 | Very high | 83 Ų | 83 | 37.2 Ų | 37.2 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 175.8 | -178.2 | -178.9 | -13.9 | 0 | 0 | 110.7 | S348 N520 S525 I526 | S348-Q522 PolarHBondContact OG-NE2 3.44Å; N520-Q522 VanDerWaalsContact C-N 3.34Å; N520-Q522 PolarHBondContact O-N 3.05Å; N520-Q522 WeakPolarHBondContact OD1-CA 3.47Å; N520-Q522 VanDerWaalsContact OD1-CB 3.24Å; N520-Q522 WeakPolarHBondContact OD1-CB 3.49Å; N520-Q522 PolarHBondContact OD1-N 2.95Å; Q522-S525 WeakPolarHBondContact O-CB 3.46Å; Q522-S525 PolarHBondContact O-N 2.82Å; Q522-I526 HydrophobicContact CG-CD1 4.21Å; Q522-I526 WeakPolarHBondContact O-CD1 3.35Å; Q522-I526 VanDerWaalsContact O-CG1 3.26Å; Q522-I526 WeakPolarHBondContact O-CG1 3.38Å; Q522-I526 PolarHBondContact O-N 3.02Å |
| 523 | V | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -52.6 | 174.2 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | L352 V444 L448 N520 K521 S525 I526 F527 | L352-V523 HydrophobicContact CD1-CG2 3.73Å; L352-V523 HydrophobicContact CD2-CG2 3.69Å; L352-V523 HydrophobicContact CG-CG2 4.38Å; V444-V523 HydrophobicContact CG1-CG1 4.32Å; L448-V523 HydrophobicContact CD1-CG1 4.01Å; L448-V523 HydrophobicContact CD2-CG1 3.84Å; L448-V523 HydrophobicContact CD2-CG2 4.3Å; L448-V523 HydrophobicContact CG-CG1 4.22Å; N520-V523 HydrophobicContact CB-CB 4.15Å; N520-V523 HydrophobicContact CB-CG2 3.83Å; N520-V523 WeakPolarHBondContact O-CB 3.38Å; N520-V523 PolarHBondContact O-N 2.99Å; N520-V523 PolarHBondContact OD1-N 3.18Å; K521-V523 VanDerWaalsContact C-N 3.32Å; V523-S525 VanDerWaalsContact C-N 3.27Å; V523-S525 PolarHBondContact O-N 3.34Å; V523-I526 WeakPolarHBondContact O-CB 3.42Å; V523-I526 PolarHBondContact O-N 2.87Å; V523-I526 VanDerWaalsContact O-N 3.09Å; V523-F527 HydrophobicContact CG1-CD2 4.24Å; V523-F527 HydrophobicContact CG1-CE2 4.22Å; V523-F527 WeakPolarHBondContact O-CD2 3.42Å; V523-F527 PolarHBondContact O-N 2.89Å |
| 524 | L | 95.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -40.2 | 179.6 | -67.1 | 161.3 | 0 | 0 | 0 | 111.9 | C518 N520 K521 I526 F527 G528 H529 A534 V537 V538 | C518-L524 WeakPolarHBondContact O-CD1 3.17Å; C518-L524 WeakPolarHBondContact O-CG 3.42Å; N520-L524 PolarHBondContact O-N 3.32Å; N520-L524 VanDerWaalsContact O-N 3.15Å; K521-L524 PolarHBondContact O-N 2.72Å; L524-I526 PolarHBondContact O-N 3.39Å; L524-F527 CarbonylContact O-C 3.6Å; L524-F527 PolarHBondContact O-N 3.18Å; L524-G528 PolarHBondContact O-N 3.01Å; L524-G528 VanDerWaalsContact O-N 3.12Å; L524-H529 CarbonylContact C-O 3.27Å; L524-H529 VanDerWaalsContact C-O 3.27Å; L524-H529 HydrophobicContact CB-CB 4.41Å; L524-H529 PolarHBondContact O-N 2.69Å; L524-A534 HydrophobicContact CB-CB 4.1Å; L524-A534 HydrophobicContact CD1-CB 3.87Å; L524-A534 HydrophobicContact CG-CB 4.4Å; L524-V537 HydrophobicContact CD2-CB 4.44Å; L524-V537 HydrophobicContact CD2-CG1 3.93Å; L524-V538 HydrophobicContact CD1-CG2 3.68Å; L524-V538 HydrophobicContact CD2-CG2 4.08Å; L524-V538 HydrophobicContact CG-CG2 4.47Å |
| 525 | S | 94.4 | Very high | 95.5 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.1 | -168 | 0 | 0 | 0 | 0 | 113.1 | K521 Q522 V523 F527 G528 H529 E530 | K521-S525 WeakPolarHBondContact O-CB 3.49Å; K521-S525 PolarHBondContact O-N 3.1Å; Q522-S525 WeakPolarHBondContact O-CB 3.46Å; Q522-S525 PolarHBondContact O-N 2.82Å; V523-S525 VanDerWaalsContact C-N 3.27Å; V523-S525 PolarHBondContact O-N 3.34Å; S525-F527 VanDerWaalsContact C-N 3.26Å; S525-F527 PolarHBondContact O-N 3.19Å; S525-G528 WeakPolarHBondContact O-CA 3.45Å; S525-G528 PolarHBondContact O-N 3.25Å; S525-H529 PolarHBondContact N-O 2.57Å; S525-E530 WeakPolarHBondContact CA-OE1 3.41Å; S525-E530 WeakPolarHBondContact CB-OE1 3.44Å; S525-E530 PolarHBondContact OG-OE1 2.93Å |
| 526 | I | 91.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -38.5 | 175.7 | -72.7 | 162.3 | 0 | 0 | 0 | 111.2 | R344 L345 S348 Q522 V523 L524 G528 | R344-I526 HydrophobicContact CB-CG2 3.98Å; L345-I526 HydrophobicContact CB-CG2 4.06Å; L345-I526 HydrophobicContact CD1-CD1 4.28Å; S348-I526 WeakPolarHBondContact OG-CD1 3.36Å; Q522-I526 HydrophobicContact CG-CD1 4.21Å; Q522-I526 WeakPolarHBondContact O-CD1 3.35Å; Q522-I526 VanDerWaalsContact O-CG1 3.26Å; Q522-I526 WeakPolarHBondContact O-CG1 3.38Å; Q522-I526 PolarHBondContact O-N 3.02Å; V523-I526 WeakPolarHBondContact O-CB 3.42Å; V523-I526 PolarHBondContact O-N 2.87Å; V523-I526 VanDerWaalsContact O-N 3.09Å; L524-I526 PolarHBondContact O-N 3.39Å; I526-G528 PolarHBondContact O-N 3.01Å |
| 527 | F | 90.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -0.2 | 175 | -72.2 | -85 | 0 | 0 | 0 | 113.6 | F342 L345 E443 V444 V523 L524 S525 | F342-F527 AromaticContact CE1-CE1 3.97Å; F342-F527 HydrophobicContact CE1-CE1 3.97Å; F342-F527 HydrophobicContact CE1-CZ 4.21Å; F342-F527 HydrophobicContact CZ-CE1 4.46Å; L345-F527 HydrophobicContact CD1-CE2 4.26Å; L345-F527 HydrophobicContact CD2-CE2 4.12Å; L345-F527 HydrophobicContact CD2-CZ 3.97Å; E443-F527 HydrophobicContact CG-CD1 4.02Å; E443-F527 HydrophobicContact CG-CE1 4.01Å; V444-F527 HydrophobicContact CB-CD2 4.49Å; V444-F527 HydrophobicContact CG1-CD2 4.48Å; V444-F527 HydrophobicContact CG2-CB 3.85Å; V444-F527 HydrophobicContact CG2-CD1 4.17Å; V444-F527 HydrophobicContact CG2-CD2 3.88Å; V444-F527 HydrophobicContact CG2-CE2 4.49Å; V444-F527 HydrophobicContact CG2-CG 3.7Å; V523-F527 HydrophobicContact CG1-CD2 4.24Å; V523-F527 HydrophobicContact CG1-CE2 4.22Å; V523-F527 WeakPolarHBondContact O-CD2 3.42Å; V523-F527 PolarHBondContact O-N 2.89Å; L524-F527 CarbonylContact O-C 3.6Å; L524-F527 PolarHBondContact O-N 3.18Å; S525-F527 VanDerWaalsContact C-N 3.26Å; S525-F527 PolarHBondContact O-N 3.19Å |
| 528 | G | 92.6 | Very high | 95.5 | Very high | 52 Ų | 52 | 48.2 Ų | 48.2 | 54% | 0.536 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 23.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L524 S525 I526 | L524-G528 PolarHBondContact O-N 3.01Å; L524-G528 VanDerWaalsContact O-N 3.12Å; S525-G528 WeakPolarHBondContact O-CA 3.45Å; S525-G528 PolarHBondContact O-N 3.25Å; I526-G528 PolarHBondContact O-N 3.01Å |
| 529 | H | 94.5 | Very high | 95.5 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | trans | -109.6 | 125.7 | 177.9 | -56.7 | -51.9 | 0 | 0 | 0 | 110.9 | L524 S525 A534 | L524-H529 CarbonylContact C-O 3.27Å; L524-H529 VanDerWaalsContact C-O 3.27Å; L524-H529 HydrophobicContact CB-CB 4.41Å; L524-H529 PolarHBondContact O-N 2.69Å; S525-H529 PolarHBondContact N-O 2.57Å; H529-A534 HydrophobicContact CB-CB 4.22Å | ||
| 530 | E | 94.2 | Very high | 95.6 | Very high | 106 Ų | 106 | 47.1 Ų | 47.1 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | trans | -131.7 | 158.7 | -177.9 | -66.5 | -67.2 | 171.1 | 0 | 0 | 111.2 | S525 Q532 E533 A534 | S525-E530 WeakPolarHBondContact CA-OE1 3.41Å; S525-E530 WeakPolarHBondContact CB-OE1 3.44Å; S525-E530 PolarHBondContact OG-OE1 2.93Å; E530-Q532 PolarHBondContact O-N 3.02Å; E530-E533 PolarHBondContact O-N 2.95Å; E530-A534 PolarHBondContact O-N 3.45Å | ||
| 531 | A | 94.6 | Very high | 95.6 | Very high | 80 Ų | 80 | 46.3 Ų | 46.3 | 66% | 0.661 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | 48.2 | -126.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E533 A534 E535 | A531-E533 VanDerWaalsContact C-N 3.29Å; A531-E533 PolarHBondContact O-N 2.81Å; A531-A534 WeakPolarHBondContact O-CB 3.44Å; A531-A534 PolarHBondContact O-N 3.08Å; A531-E535 PolarHBondContact O-N 3.32Å |
| 532 | Q | 95.6 | Very high | 95.8 | Very high | 108 Ų | 108 | 38.1 Ų | 38.1 | 51% | 0.505 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.1 | -33.9 | -175.7 | -169.1 | 61.3 | 67.2 | 0 | 0 | 113 | E530 A534 E535 D536 | E530-Q532 PolarHBondContact O-N 3.02Å; Q532-A534 VanDerWaalsContact C-N 3.32Å; Q532-E535 PolarHBondContact NE2-OE2 2.98Å; Q532-E535 PolarHBondContact O-N 3.49Å; Q532-D536 PolarHBondContact O-N 3.3Å |
| 533 | E | 96.5 | Very high | 96 | Very high | 93 Ų | 93 | 34.1 Ų | 34.1 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.2 | -41.4 | 178.2 | -58.8 | -170.6 | 155.9 | 0 | 0 | 110.5 | W437 E530 A531 E535 D536 V537 | W437-E533 HydrophobicContact CH2-CB 3.71Å; W437-E533 HydrophobicContact CH2-CG 3.67Å; W437-E533 HydrophobicContact CZ2-CB 4.06Å; W437-E533 HydrophobicContact CZ2-CG 3.92Å; W437-E533 HydrophobicContact CZ3-CB 4.39Å; E530-E533 PolarHBondContact O-N 2.95Å; A531-E533 VanDerWaalsContact C-N 3.29Å; A531-E533 PolarHBondContact O-N 2.81Å; E533-E535 VanDerWaalsContact C-N 3.33Å; E533-E535 PolarHBondContact O-N 2.99Å; E533-D536 PolarHBondContact O-N 3.35Å; E533-V537 WeakPolarHBondContact O-CB 3.23Å; E533-V537 VanDerWaalsContact O-CG2 3.28Å; E533-V537 WeakPolarHBondContact O-CG2 3.33Å; E533-V537 PolarHBondContact O-N 3.48Å |
| 534 | A | 96.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L524 H529 E530 A531 Q532 V537 V538 | L524-A534 HydrophobicContact CB-CB 4.1Å; L524-A534 HydrophobicContact CD1-CB 3.87Å; L524-A534 HydrophobicContact CG-CB 4.4Å; H529-A534 HydrophobicContact CB-CB 4.22Å; E530-A534 PolarHBondContact O-N 3.45Å; A531-A534 WeakPolarHBondContact O-CB 3.44Å; A531-A534 PolarHBondContact O-N 3.08Å; Q532-A534 VanDerWaalsContact C-N 3.32Å; A534-V537 PolarHBondContact O-N 3.31Å; A534-V538 WeakPolarHBondContact O-CG2 3.46Å; A534-V538 PolarHBondContact O-N 3.05Å |
| 535 | E | 97.5 | Very high | 96.2 | Very high | 106 Ų | 106 | 35.3 Ų | 35.3 | 50% | 0.495 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 175.7 | -66.4 | -178.9 | -178 | 0 | 0 | 112.7 | A531 Q532 E533 Y539 R606 | A531-E535 PolarHBondContact O-N 3.32Å; Q532-E535 PolarHBondContact NE2-OE2 2.98Å; Q532-E535 PolarHBondContact O-N 3.49Å; E533-E535 VanDerWaalsContact C-N 3.33Å; E533-E535 PolarHBondContact O-N 2.99Å; E535-Y539 WeakPolarHBondContact O-CB 3.43Å; E535-Y539 PolarHBondContact O-N 3.4Å; E535-R606 VanDerWaalsContact C-NH1 3.26Å; E535-R606 PolarHBondContact O-NH1 3.5Å |
| 536 | D | 98.1 | Very high | 96.4 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.7 | -39.8 | 177.9 | -74.3 | -20.2 | 0 | 0 | 0 | 112.6 | L433 W437 Q532 E533 V538 Y539 I540 R606 | L433-D536 HydrophobicContact CD1-CB 4.18Å; W437-D536 HydrophobicContact CD2-CB 4.48Å; W437-D536 HydrophobicContact CG-CB 4.25Å; Q532-D536 PolarHBondContact O-N 3.3Å; E533-D536 PolarHBondContact O-N 3.35Å; D536-V538 VanDerWaalsContact C-N 3.35Å; D536-Y539 PolarHBondContact O-N 3.45Å; D536-I540 WeakPolarHBondContact O-CB 3.49Å; D536-I540 WeakPolarHBondContact O-CG1 3.44Å; D536-I540 PolarHBondContact O-N 3.4Å; D536-R606 IonicContact OD1-CZ 3.7Å; D536-R606 VanDerWaalsContact OD1-CZ 3.31Å; D536-R606 IonicContact OD1-NH1 2.89Å; D536-R606 PolarHBondContact OD1-NH1 3.36Å; D536-R606 IonicContact OD1-NH2 3.61Å; D536-R606 PolarHBondContact OD1-NH2 2.93Å |
| 537 | V | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 173.5 | 167.1 | 0 | 0 | 0 | 0 | 110.5 | W437 P440 S441 V444 L524 E533 A534 N541 | W437-V537 HydrophobicContact CD2-CG2 4.27Å; W437-V537 HydrophobicContact CE3-CG2 3.72Å; W437-V537 HydrophobicContact CZ3-CG2 4.23Å; P440-V537 HydrophobicContact CB-CG2 4.13Å; S441-V537 WeakPolarHBondContact CB-O 3.48Å; V444-V537 HydrophobicContact CG2-CG1 4.11Å; L524-V537 HydrophobicContact CD2-CB 4.44Å; L524-V537 HydrophobicContact CD2-CG1 3.93Å; E533-V537 WeakPolarHBondContact O-CB 3.23Å; E533-V537 VanDerWaalsContact O-CG2 3.28Å; E533-V537 WeakPolarHBondContact O-CG2 3.33Å; E533-V537 PolarHBondContact O-N 3.48Å; A534-V537 PolarHBondContact O-N 3.31Å; V537-N541 WeakPolarHBondContact O-CB 3.2Å; V537-N541 PolarHBondContact O-N 3.08Å |
| 538 | V | 98.4 | Very high | 97 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -50.8 | 174.4 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | C518 L519 L524 A534 D536 I540 N541 W542 I609 | C518-V538 VanDerWaalsContact O-CG2 3.29Å; C518-V538 WeakPolarHBondContact O-CG2 3.36Å; L519-V538 HydrophobicContact CD2-CG1 3.44Å; L519-V538 VanDerWaalsContact CD2-CG1 3.44Å; L519-V538 HydrophobicContact CD2-CG2 4.48Å; L524-V538 HydrophobicContact CD1-CG2 3.68Å; L524-V538 HydrophobicContact CD2-CG2 4.08Å; L524-V538 HydrophobicContact CG-CG2 4.47Å; A534-V538 WeakPolarHBondContact O-CG2 3.46Å; A534-V538 PolarHBondContact O-N 3.05Å; D536-V538 VanDerWaalsContact C-N 3.35Å; V538-I540 PolarHBondContact O-N 2.81Å; V538-N541 WeakPolarHBondContact O-CB 3.15Å; V538-N541 PolarHBondContact O-N 3.13Å; V538-W542 VanDerWaalsContact O-CD1 3.24Å; V538-W542 PolarHBondContact O-N 3.42Å; V538-W542 VanDerWaalsContact O-N 3.08Å; V538-I609 HydrophobicContact CG1-CG2 4.34Å |
| 539 | Y | 98.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -47 | -178 | 177.1 | -108.3 | 0 | 0 | 0 | 112.2 | D430 L433 E535 D536 N541 W542 L543 L604 R606 I609 | D430-Y539 PolarHBondContact OD1-OH 3.41Å; D430-Y539 PolarHBondContact OD2-OH 2.92Å; L433-Y539 HydrophobicContact CD2-CD1 3.85Å; L433-Y539 HydrophobicContact CD2-CE1 4.22Å; E535-Y539 WeakPolarHBondContact O-CB 3.43Å; E535-Y539 PolarHBondContact O-N 3.4Å; D536-Y539 PolarHBondContact O-N 3.45Å; Y539-N541 VanDerWaalsContact C-N 3.33Å; Y539-N541 PolarHBondContact O-N 3.41Å; Y539-W542 PolarHBondContact O-N 3.17Å; Y539-L543 HydrophobicContact CE1-CD2 3.95Å; Y539-L543 VanDerWaalsContact O-CB 3.28Å; Y539-L543 WeakPolarHBondContact O-CB 3.39Å; Y539-L543 PolarHBondContact O-N 3.32Å; Y539-L604 HydrophobicContact CD2-CD2 4.12Å; Y539-L604 HydrophobicContact CE2-CB 4.11Å; Y539-L604 HydrophobicContact CE2-CD2 3.97Å; Y539-L604 HydrophobicContact CE2-CG 4.09Å; Y539-L604 WeakPolarHBondContact CE2-O 3.17Å; Y539-L604 PolarHBondContact OH-O 2.85Å; Y539-R606 HydrophobicContact CD2-CB 3.74Å; Y539-R606 HydrophobicContact CD2-CG 3.93Å; Y539-R606 HydrophobicContact CE2-CB 3.98Å; Y539-R606 HydrophobicContact CG-CG 4.47Å; Y539-R606 VanDerWaalsContact CG-CZ 3.44Å; Y539-R606 VanDerWaalsContact CG-NH2 3.35Å; Y539-I609 HydrophobicContact CD2-CD1 4.03Å |
| 540 | I | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.6 | -30.9 | 179.4 | -65.4 | -54.3 | 0 | 0 | 0 | 111.9 | L433 F434 W437 D536 V538 L543 S544 | L433-I540 HydrophobicContact CB-CD1 4.24Å; L433-I540 HydrophobicContact CD2-CD1 4Å; L433-I540 HydrophobicContact CD2-CG1 4.23Å; L433-I540 HydrophobicContact CG-CD1 3.97Å; L433-I540 HydrophobicContact CG-CG1 4.01Å; F434-I540 HydrophobicContact CB-CD1 4.12Å; F434-I540 HydrophobicContact CD2-CD1 4.21Å; F434-I540 HydrophobicContact CD2-CG2 3.98Å; F434-I540 HydrophobicContact CE2-CG2 4.4Å; F434-I540 HydrophobicContact CG-CG2 4.42Å; W437-I540 HydrophobicContact CB-CB 4.15Å; W437-I540 HydrophobicContact CB-CG1 4.01Å; W437-I540 HydrophobicContact CB-CG2 4.31Å; D536-I540 WeakPolarHBondContact O-CB 3.49Å; D536-I540 WeakPolarHBondContact O-CG1 3.44Å; D536-I540 PolarHBondContact O-N 3.4Å; V538-I540 PolarHBondContact O-N 2.81Å; I540-L543 HydrophobicContact CD1-CD2 4.05Å; I540-S544 WeakPolarHBondContact O-CB 3.46Å; I540-S544 PolarHBondContact O-N 3.25Å; I540-S544 PolarHBondContact O-OG 3.45Å |
| 541 | N | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -51.9 | 172.4 | -165.5 | 19.8 | 0 | 0 | 0 | 111.1 | Q445 C518 V537 V538 Y539 S544 M545 | Q445-N541 PolarHBondContact OE1-ND2 2.72Å; Q445-N541 PolarHBondContact OE1-OD1 2.81Å; C518-N541 PolarHBondContact SG-ND2 2.64Å; V537-N541 WeakPolarHBondContact O-CB 3.2Å; V537-N541 PolarHBondContact O-N 3.08Å; V538-N541 WeakPolarHBondContact O-CB 3.15Å; V538-N541 PolarHBondContact O-N 3.13Å; Y539-N541 VanDerWaalsContact C-N 3.33Å; Y539-N541 PolarHBondContact O-N 3.41Å; N541-S544 WeakPolarHBondContact O-CB 3.49Å; N541-S544 PolarHBondContact O-N 2.92Å; N541-M545 PolarHBondContact O-N 3Å |
| 542 | W | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.7 | -41.1 | 179.2 | -77.4 | 67.6 | 0 | 0 | 0 | 112.3 | L515 C518 L519 V538 Y539 S544 M545 V546 L578 L604 I609 I617 | L515-W542 HydrophobicContact CB-CZ2 4.06Å; L515-W542 HydrophobicContact CD2-CD2 4.22Å; L515-W542 HydrophobicContact CD2-CG 4.07Å; L515-W542 WeakPolarHBondContact O-CZ2 3.43Å; L515-W542 PolarHBondContact O-NE1 2.87Å; C518-W542 PolarHBondContact SG-NE1 2.81Å; L519-W542 HydrophobicContact CD1-CZ2 4.09Å; L519-W542 HydrophobicContact CD2-CZ2 4.46Å; L519-W542 HydrophobicContact CG-CZ2 4.42Å; V538-W542 VanDerWaalsContact O-CD1 3.24Å; V538-W542 PolarHBondContact O-N 3.42Å; V538-W542 VanDerWaalsContact O-N 3.08Å; Y539-W542 PolarHBondContact O-N 3.17Å; W542-S544 VanDerWaalsContact C-N 3.33Å; W542-S544 PolarHBondContact O-N 2.78Å; W542-M545 WeakPolarHBondContact O-CB 3.44Å; W542-M545 PolarHBondContact O-N 2.92Å; W542-V546 WeakPolarHBondContact O-CG2 3.36Å; W542-V546 PolarHBondContact O-N 3.4Å; W542-V546 VanDerWaalsContact O-N 3.11Å; W542-L578 HydrophobicContact CE3-CD1 4.21Å; W542-L578 HydrophobicContact CZ3-CD1 4.15Å; W542-L578 HydrophobicContact CZ3-CD2 3.82Å; W542-L604 HydrophobicContact CB-CD2 3.58Å; W542-I609 HydrophobicContact CB-CD1 4.16Å; W542-I609 HydrophobicContact CD2-CG2 3.66Å; W542-I609 HydrophobicContact CE3-CG2 4.12Å; W542-I609 HydrophobicContact CG-CD1 4.29Å; W542-I609 HydrophobicContact CG-CG2 4.03Å; W542-I609 HydrophobicContact CH2-CG2 4.38Å; W542-I609 HydrophobicContact CZ2-CG2 3.96Å; W542-I609 HydrophobicContact CZ3-CG2 4.44Å; W542-I617 HydrophobicContact CH2-CG1 3.76Å; W542-I617 HydrophobicContact CZ3-CG1 4.18Å |
| 543 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | 176.2 | -177.2 | 60.6 | 0 | 0 | 0 | 111.5 | L426 D430 F434 Y539 I540 M545 V546 R547 I602 L604 | L426-L543 HydrophobicContact CD2-CD1 3.88Å; L426-L543 HydrophobicContact CD2-CD2 3.99Å; L426-L543 HydrophobicContact CD2-CG 3.9Å; D430-L543 HydrophobicContact CB-CD2 3.91Å; F434-L543 HydrophobicContact CD2-CD2 4.27Å; Y539-L543 HydrophobicContact CE1-CD2 3.95Å; Y539-L543 VanDerWaalsContact O-CB 3.28Å; Y539-L543 WeakPolarHBondContact O-CB 3.39Å; Y539-L543 PolarHBondContact O-N 3.32Å; I540-L543 HydrophobicContact CD1-CD2 4.05Å; L543-M545 VanDerWaalsContact C-N 3.32Å; L543-M545 PolarHBondContact O-N 3.48Å; L543-V546 HydrophobicContact CD1-CG2 4.18Å; L543-V546 VanDerWaalsContact O-CG2 3.29Å; L543-V546 WeakPolarHBondContact O-CG2 3.26Å; L543-R547 VanDerWaalsContact O-CB 3.26Å; L543-R547 WeakPolarHBondContact O-CB 3.39Å; L543-R547 PolarHBondContact O-N 3.22Å; L543-I602 HydrophobicContact CD1-CG2 4.24Å; L543-L604 HydrophobicContact CB-CD2 4.04Å; L543-L604 HydrophobicContact CD1-CB 4.03Å |
| 544 | S | 97.1 | Very high | 97.7 | Very high | 24 Ų | 24 | 15.1 Ų | 15.1 | 17% | 0.168 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 174.5 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | F434 I540 N541 W542 A548 | F434-S544 WeakPolarHBondContact CE2-OG 3.46Å; F434-S544 WeakPolarHBondContact CZ-OG 3.42Å; I540-S544 WeakPolarHBondContact O-CB 3.46Å; I540-S544 PolarHBondContact O-N 3.25Å; I540-S544 PolarHBondContact O-OG 3.45Å; N541-S544 WeakPolarHBondContact O-CB 3.49Å; N541-S544 PolarHBondContact O-N 2.92Å; W542-S544 VanDerWaalsContact C-N 3.33Å; W542-S544 PolarHBondContact O-N 2.78Å; S544-A548 WeakPolarHBondContact O-CB 3.48Å; S544-A548 PolarHBondContact O-N 3.46Å |
| 545 | M | 98.5 | Very high | 97.6 | Very high | 9 Ų | 9 | 15.3 Ų | 15.3 | 4% | 0.044 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.1 | -52.6 | 178.2 | -177 | 63.2 | 60.9 | 0 | 0 | 112.3 | E511 L515 N541 W542 L543 R547 A548 G549 R571 I574 | E511-M545 HydrophobicContact CB-CE 3.87Å; E511-M545 HydrophobicContact CG-CE 4.28Å; E511-M545 WeakPolarHBondContact OE2-CE 3.15Å; L515-M545 HydrophobicContact CD1-CB 4.12Å; L515-M545 HydrophobicContact CD1-CE 4.08Å; L515-M545 HydrophobicContact CD1-CG 3.59Å; L515-M545 HydrophobicContact CD1-SD 4.42Å; L515-M545 HydrophobicContact CD2-CB 4.05Å; L515-M545 HydrophobicContact CD2-CE 4.33Å; L515-M545 HydrophobicContact CD2-CG 4.41Å; L515-M545 HydrophobicContact CG-CE 4.12Å; L515-M545 HydrophobicContact CG-CG 4.42Å; N541-M545 PolarHBondContact O-N 3Å; W542-M545 WeakPolarHBondContact O-CB 3.44Å; W542-M545 PolarHBondContact O-N 2.92Å; L543-M545 VanDerWaalsContact C-N 3.32Å; L543-M545 PolarHBondContact O-N 3.48Å; M545-R547 VanDerWaalsContact C-N 3.33Å; M545-R547 PolarHBondContact O-N 2.51Å; M545-A548 PolarHBondContact O-N 2.74Å; M545-G549 PolarHBondContact O-N 3.05Å; M545-R571 HydrophobicContact SD-CB 4.1Å; M545-R571 HydrophobicContact SD-CG 3.62Å; M545-I574 HydrophobicContact CE-CD1 4.29Å; M545-I574 HydrophobicContact CG-CB 4.37Å; M545-I574 HydrophobicContact CG-CG2 3.68Å; M545-I574 HydrophobicContact SD-CB 4.33Å; M545-I574 HydrophobicContact SD-CD1 3.79Å; M545-I574 HydrophobicContact SD-CG2 4.2Å |
| 546 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.2 | -38 | -179 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | W542 L543 G549 L550 L575 L578 V586 I602 | W542-V546 WeakPolarHBondContact O-CG2 3.36Å; W542-V546 PolarHBondContact O-N 3.4Å; W542-V546 VanDerWaalsContact O-N 3.11Å; L543-V546 HydrophobicContact CD1-CG2 4.18Å; L543-V546 VanDerWaalsContact O-CG2 3.29Å; L543-V546 WeakPolarHBondContact O-CG2 3.26Å; V546-G549 PolarHBondContact O-N 3.2Å; V546-L550 PolarHBondContact O-N 3.06Å; V546-L575 HydrophobicContact CB-CD1 3.96Å; V546-L575 HydrophobicContact CG1-CD1 4.16Å; V546-L578 HydrophobicContact CG1-CD1 3.71Å; V546-V586 HydrophobicContact CB-CG1 4.35Å; V546-V586 HydrophobicContact CG1-CG1 4.21Å; V546-V586 HydrophobicContact CG1-CG2 3.89Å; V546-I602 HydrophobicContact CB-CG2 4.3Å; V546-I602 HydrophobicContact CG2-CG2 3.64Å; V546-I602 WeakPolarHBondContact O-CD1 3.48Å |
| 547 | R | 97.6 | Very high | 97.3 | Very high | 29 Ų | 29 | 10.6 Ų | 10.6 | 11% | 0.109 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 172.6 | -178.5 | -177.4 | 179.2 | -99.3 | -4.6 | 111.5 | T424 L426 L543 M545 G549 L550 L551 | T424-R547 PolarHBondContact O-NE 2.96Å; T424-R547 PolarHBondContact O-NH2 3.03Å; T424-R547 PolarHBondContact OG1-NH2 3.01Å; L426-R547 HydrophobicContact CD2-CB 4.44Å; L426-R547 HydrophobicContact CD2-CG 4.42Å; L543-R547 VanDerWaalsContact O-CB 3.26Å; L543-R547 WeakPolarHBondContact O-CB 3.39Å; L543-R547 PolarHBondContact O-N 3.22Å; M545-R547 VanDerWaalsContact C-N 3.33Å; M545-R547 PolarHBondContact O-N 2.51Å; R547-G549 VanDerWaalsContact C-N 3.27Å; R547-G549 PolarHBondContact O-N 3.03Å; R547-L550 PolarHBondContact O-N 3.33Å; R547-L551 HydrophobicContact CG-CD1 4.07Å; R547-L551 WeakPolarHBondContact O-CG 3.45Å; R547-L551 PolarHBondContact O-N 3.31Å |
| 548 | A | 97.1 | Very high | 97 | Very high | 18 Ų | 18 | 12.2 Ų | 12.2 | 15% | 0.149 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.7 | -31.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S544 M545 L551 G552 R571 | S544-A548 WeakPolarHBondContact O-CB 3.48Å; S544-A548 PolarHBondContact O-N 3.46Å; M545-A548 PolarHBondContact O-N 2.74Å; A548-L551 PolarHBondContact O-N 2.74Å; A548-G552 PolarHBondContact O-N 2.85Å; A548-R571 HydrophobicContact CB-CB 4.42Å; A548-R571 HydrophobicContact CB-CG 4.4Å |
| 549 | G | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M545 V546 R547 G552 R571 F572 | M545-G549 PolarHBondContact O-N 3.05Å; V546-G549 PolarHBondContact O-N 3.2Å; R547-G549 VanDerWaalsContact C-N 3.27Å; R547-G549 PolarHBondContact O-N 3.03Å; G549-G552 PolarHBondContact O-N 2.95Å; G549-R571 VanDerWaalsContact CA-C 3.46Å; G549-R571 WeakPolarHBondContact CA-O 3.26Å; G549-F572 WeakPolarHBondContact O-CD2 3.32Å |
| 550 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.1 | -46.6 | 174.8 | 174.5 | 66.8 | 0 | 0 | 0 | 111.5 | F425 V546 R547 G552 L553 L575 L588 A600 I602 L657 V661 | F425-L550 HydrophobicContact CB-CD2 4.13Å; F425-L550 HydrophobicContact CD1-CD2 4.41Å; F425-L550 HydrophobicContact CD2-CD2 3.86Å; F425-L550 HydrophobicContact CE2-CD2 4.38Å; F425-L550 HydrophobicContact CG-CD2 3.87Å; V546-L550 PolarHBondContact O-N 3.06Å; R547-L550 PolarHBondContact O-N 3.33Å; L550-G552 PolarHBondContact O-N 3.46Å; L550-G552 VanDerWaalsContact O-N 3.13Å; L550-L553 HydrophobicContact CD1-CD1 3.79Å; L550-L553 WeakPolarHBondContact O-CB 3.24Å; L550-L553 WeakPolarHBondContact O-CG 3.29Å; L550-L553 PolarHBondContact O-N 3.47Å; L550-L553 VanDerWaalsContact O-N 3.11Å; L550-L575 HydrophobicContact CB-CD2 4.21Å; L550-L588 HydrophobicContact CD1-CD1 4.19Å; L550-L588 HydrophobicContact CD2-CD1 3.93Å; L550-A600 HydrophobicContact CD2-CB 4.08Å; L550-I602 HydrophobicContact CB-CD1 3.54Å; L550-I602 HydrophobicContact CD2-CD1 3.55Å; L550-I602 HydrophobicContact CD2-CG1 4Å; L550-I602 HydrophobicContact CG-CD1 4.17Å; L550-L657 HydrophobicContact CD1-CB 4.18Å; L550-L657 HydrophobicContact CD1-CD1 4.38Å; L550-L657 HydrophobicContact CD1-CD2 4.35Å; L550-V661 HydrophobicContact CD1-CG2 4.01Å; L550-V661 HydrophobicContact CG-CG2 3.91Å; L550-V661 WeakPolarHBondContact O-CG2 3.38Å |
| 551 | L | 97 | Very high | 95.6 | Very high | 30 Ų | 30 | 27.8 Ų | 27.8 | 16% | 0.157 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58 | -26 | 174.5 | -69 | 171 | 0 | 0 | 0 | 112.1 | F425 R547 A548 L553 E554 M568 | F425-L551 HydrophobicContact CD2-CD2 3.85Å; F425-L551 HydrophobicContact CD2-CG 4.39Å; F425-L551 HydrophobicContact CE2-CD2 3.56Å; F425-L551 HydrophobicContact CE2-CG 4.48Å; R547-L551 HydrophobicContact CG-CD1 4.07Å; R547-L551 WeakPolarHBondContact O-CG 3.45Å; R547-L551 PolarHBondContact O-N 3.31Å; A548-L551 PolarHBondContact O-N 2.74Å; L551-L553 PolarHBondContact O-N 2.87Å; L551-L553 VanDerWaalsContact O-N 3.14Å; L551-E554 WeakPolarHBondContact O-CB 3.47Å; L551-E554 PolarHBondContact O-N 3.05Å; L551-M568 HydrophobicContact CB-CE 4.05Å |
| 552 | G | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -53 | -31.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A548 G549 L550 E554 F555 W563 | A548-G552 PolarHBondContact O-N 2.85Å; G549-G552 PolarHBondContact O-N 2.95Å; L550-G552 PolarHBondContact O-N 3.46Å; L550-G552 VanDerWaalsContact O-N 3.13Å; G552-E554 PolarHBondContact O-N 3.16Å; G552-F555 WeakPolarHBondContact O-CB 3.49Å; G552-F555 PolarHBondContact O-N 3.25Å; G552-W563 WeakPolarHBondContact O-CZ3 3.17Å |
| 553 | L | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -57.6 | -25.3 | -179.2 | -67.1 | 173.5 | 0 | 0 | 0 | 114 | L550 L551 F555 Y556 W563 F572 V646 F654 L657 R658 V661 | L550-L553 HydrophobicContact CD1-CD1 3.79Å; L550-L553 WeakPolarHBondContact O-CB 3.24Å; L550-L553 WeakPolarHBondContact O-CG 3.29Å; L550-L553 PolarHBondContact O-N 3.47Å; L550-L553 VanDerWaalsContact O-N 3.11Å; L551-L553 PolarHBondContact O-N 2.87Å; L551-L553 VanDerWaalsContact O-N 3.14Å; L553-F555 PolarHBondContact O-N 3.14Å; L553-Y556 PolarHBondContact O-N 3.35Å; L553-W563 HydrophobicContact CD2-CH2 4.43Å; L553-F572 HydrophobicContact CD2-CD2 3.96Å; L553-F572 HydrophobicContact CD2-CE2 3.6Å; L553-F572 HydrophobicContact CD2-CZ 4.21Å; L553-F572 HydrophobicContact CG-CD2 4.35Å; L553-F572 HydrophobicContact CG-CE2 4.26Å; L553-V646 HydrophobicContact CD2-CG1 3.83Å; L553-V646 HydrophobicContact CD2-CG2 4.12Å; L553-F654 HydrophobicContact CD1-CD1 4.17Å; L553-F654 HydrophobicContact CD2-CB 4.28Å; L553-L657 HydrophobicContact CD1-CB 3.95Å; L553-R658 HydrophobicContact CB-CB 3.89Å; L553-R658 HydrophobicContact CB-CG 4.04Å; L553-R658 HydrophobicContact CD1-CB 4.28Å; L553-R658 WeakPolarHBondContact O-CD 3.45Å; L553-R658 WeakPolarHBondContact O-CG 3.34Å; L553-R658 PolarHBondContact O-NE 3.27Å; L553-V661 HydrophobicContact CD1-CG2 4.43Å |
| 554 | E | 95.3 | Very high | 94.9 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 15% | 0.15 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -52.4 | -36.9 | 170.9 | 173.3 | 173.1 | -174.5 | 0 | 0 | 111.5 | L551 G552 Y556 R564 V661 L662 | L551-E554 WeakPolarHBondContact O-CB 3.47Å; L551-E554 PolarHBondContact O-N 3.05Å; G552-E554 PolarHBondContact O-N 3.16Å; E554-Y556 VanDerWaalsContact C-N 3.35Å; E554-R564 PolarHBondContact O-NH2 2.84Å; E554-V661 HydrophobicContact CB-CG1 4.08Å; E554-L662 HydrophobicContact CB-CD2 4.17Å; E554-L662 HydrophobicContact CG-CD2 3.9Å |
| 555 | F | 95.8 | Very high | 94.7 | Very high | 15 Ų | 15 | 32 Ų | 32 | 7% | 0.066 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -91.5 | 6 | -173.3 | -55.8 | -79 | 0 | 0 | 0 | 113.7 | F109 G552 L553 R564 Q565 M568 | F109-F555 HydrophobicContact CD1-CD1 4.27Å; F109-F555 AromaticContact CD1-CE1 3.41Å; F109-F555 HydrophobicContact CD1-CE1 3.41Å; F109-F555 VanDerWaalsContact CD1-CE1 3.41Å; F109-F555 HydrophobicContact CD1-CE2 4.3Å; F109-F555 AromaticContact CD1-CZ 3.44Å; F109-F555 HydrophobicContact CD1-CZ 3.44Å; F109-F555 VanDerWaalsContact CD1-CZ 3.44Å; F109-F555 HydrophobicContact CE1-CD1 4.35Å; F109-F555 HydrophobicContact CE1-CD2 4.4Å; F109-F555 AromaticContact CE1-CE1 3.67Å; F109-F555 HydrophobicContact CE1-CE1 3.67Å; F109-F555 AromaticContact CE1-CE2 3.73Å; F109-F555 HydrophobicContact CE1-CE2 3.73Å; F109-F555 AromaticContact CE1-CZ 3.32Å; F109-F555 HydrophobicContact CE1-CZ 3.32Å; G552-F555 WeakPolarHBondContact O-CB 3.49Å; G552-F555 PolarHBondContact O-N 3.25Å; L553-F555 PolarHBondContact O-N 3.14Å; F555-R564 PolarHBondContact O-N 3.42Å; F555-Q565 HydrophobicContact CB-CB 4Å; F555-Q565 HydrophobicContact CD1-CB 4Å; F555-Q565 HydrophobicContact CG-CB 4.03Å; F555-M568 HydrophobicContact CB-CB 4.21Å; F555-M568 HydrophobicContact CD2-CB 3.78Å; F555-M568 HydrophobicContact CD2-CE 3.81Å; F555-M568 HydrophobicContact CD2-CG 3.53Å; F555-M568 HydrophobicContact CE2-CE 3.57Å; F555-M568 HydrophobicContact CE2-CG 3.87Å; F555-M568 HydrophobicContact CE2-SD 4.46Å; F555-M568 HydrophobicContact CG-CB 4.15Å; F555-M568 HydrophobicContact CG-CG 4.1Å |
| 556 | Y | 96.1 | Very high | 94.5 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 139.1 | 170.6 | -177.8 | -106.4 | 0 | 0 | 0 | 110.7 | L553 E554 P558 K561 W563 R564 V646 L655 R658 | L553-Y556 PolarHBondContact O-N 3.35Å; E554-Y556 VanDerWaalsContact C-N 3.35Å; Y556-P558 HydrophobicContact CD1-CG 4.18Å; Y556-P558 HydrophobicContact CE1-CB 4.34Å; Y556-P558 HydrophobicContact CE1-CG 4.24Å; Y556-K561 WeakPolarHBondContact OH-CA 3.31Å; Y556-W563 AromaticContact CD2-CD1 3.85Å; Y556-W563 AromaticContact CD2-CD2 3.97Å; Y556-W563 HydrophobicContact CD2-CD2 3.97Å; Y556-W563 AromaticContact CD2-CE2 3.69Å; Y556-W563 HydrophobicContact CD2-CG 4.07Å; Y556-W563 HydrophobicContact CD2-CZ2 4.23Å; Y556-W563 AromaticContact CD2-NE1 3.6Å; Y556-W563 AromaticContact CE2-NE1 4Å; Y556-R564 PolarHBondContact O-NH1 2.89Å; Y556-V646 HydrophobicContact CD1-CB 3.84Å; Y556-V646 HydrophobicContact CD1-CG1 3.96Å; Y556-V646 HydrophobicContact CD1-CG2 3.94Å; Y556-V646 HydrophobicContact CD2-CB 4.35Å; Y556-V646 HydrophobicContact CD2-CG2 3.78Å; Y556-V646 HydrophobicContact CE1-CB 3.61Å; Y556-V646 HydrophobicContact CE1-CG1 4Å; Y556-V646 HydrophobicContact CE1-CG2 4.09Å; Y556-V646 HydrophobicContact CE2-CB 4.15Å; Y556-V646 HydrophobicContact CE2-CG2 3.95Å; Y556-V646 HydrophobicContact CG-CB 4.2Å; Y556-V646 HydrophobicContact CG-CG2 3.76Å; Y556-L655 HydrophobicContact CE1-CD2 4.17Å; Y556-R658 VanDerWaalsContact O-CZ 3.27Å; Y556-R658 PolarHBondContact O-NE 2.97Å; Y556-R658 PolarHBondContact O-NH2 3.33Å |
| 557 | T | 91.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 8% | 0.08 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 107.9 | 172.9 | -52.3 | 0 | 0 | 0 | 0 | 109.1 | Q160 E559 S560 K561 S562 R564 | Q160-T557 PolarHBondContact OE1-OG1 2.98Å; T557-E559 VanDerWaalsContact C-N 3.31Å; T557-E559 HydrophobicContact CG2-CB 4.39Å; T557-E559 VanDerWaalsContact CG2-OE2 3.29Å; T557-E559 WeakPolarHBondContact CG2-OE2 3.32Å; T557-E559 PolarHBondContact O-N 3.03Å; T557-S560 VanDerWaalsContact CB-OG 3.25Å; T557-S560 WeakPolarHBondContact CB-OG 3.44Å; T557-S560 VanDerWaalsContact CG2-OG 3.24Å; T557-S560 WeakPolarHBondContact CG2-OG 3.25Å; T557-K561 VanDerWaalsContact O-CA 3.25Å; T557-K561 WeakPolarHBondContact O-CA 3.49Å; T557-K561 PolarHBondContact O-N 3.43Å; T557-S562 PolarHBondContact N-O 3.4Å; T557-S562 PolarHBondContact O-N 2.78Å; T557-R564 WeakPolarHBondContact OG1-CD 3.18Å; T557-R564 PolarHBondContact OG1-NH1 2.91Å |
| 558 | P | 91.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 33.5 Ų | 33.5 | 24% | 0.24 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -38.7 | 179.1 | -26.3 | 35.9 | 0 | 0 | 0 | 113.9 | Y556 K561 L655 | Y556-P558 HydrophobicContact CD1-CG 4.18Å; Y556-P558 HydrophobicContact CE1-CB 4.34Å; Y556-P558 HydrophobicContact CE1-CG 4.24Å; P558-K561 WeakPolarHBondContact O-CG 3.24Å; P558-K561 PolarHBondContact O-N 3.35Å; P558-L655 HydrophobicContact CB-CD2 4.38Å; P558-L655 HydrophobicContact CG-CD2 4.27Å |
| 559 | E | 88.8 | Confident | 94.5 | Very high | 159 Ų | 159 | 33.6 Ų | 33.6 | 74% | 0.743 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -43.5 | -173.7 | -61.3 | 71.6 | -155.3 | 0 | 0 | 111.7 | T557 | T557-E559 VanDerWaalsContact C-N 3.31Å; T557-E559 HydrophobicContact CG2-CB 4.39Å; T557-E559 VanDerWaalsContact CG2-OE2 3.29Å; T557-E559 WeakPolarHBondContact CG2-OE2 3.32Å; T557-E559 PolarHBondContact O-N 3.03Å |
| 560 | S | 85.7 | Confident | 94.5 | Very high | 27 Ų | 27 | 33.6 Ų | 33.6 | 19% | 0.189 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -1.8 | 177.3 | 58 | 0 | 0 | 0 | 0 | 113.7 | Q160 T557 S562 | Q160-S560 PolarHBondContact NE2-OG 3.06Å; T557-S560 VanDerWaalsContact CB-OG 3.25Å; T557-S560 WeakPolarHBondContact CB-OG 3.44Å; T557-S560 VanDerWaalsContact CG2-OG 3.24Å; T557-S560 WeakPolarHBondContact CG2-OG 3.25Å; S560-S562 PolarHBondContact O-N 3.06Å; S560-S562 PolarHBondContact OG-OG 3.22Å |
| 561 | K | 90.8 | Very high | 94.5 | Very high | 167 Ų | 167 | 35.6 Ų | 35.6 | 73% | 0.726 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 37.6 | -173.9 | -59.6 | -178 | 179.2 | -179 | 0 | 113.5 | Y556 T557 P558 | Y556-K561 WeakPolarHBondContact OH-CA 3.31Å; T557-K561 VanDerWaalsContact O-CA 3.25Å; T557-K561 WeakPolarHBondContact O-CA 3.49Å; T557-K561 PolarHBondContact O-N 3.43Å; P558-K561 WeakPolarHBondContact O-CG 3.24Å; P558-K561 PolarHBondContact O-N 3.35Å |
| 562 | S | 90.5 | Very high | 94.6 | Very high | 29 Ų | 29 | 34.1 Ų | 34.1 | 20% | 0.203 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 144.7 | -172.7 | 60.9 | 0 | 0 | 0 | 0 | 112 | T557 S560 | T557-S562 PolarHBondContact N-O 3.4Å; T557-S562 PolarHBondContact O-N 2.78Å; S560-S562 PolarHBondContact O-N 3.06Å; S560-S562 PolarHBondContact OG-OG 3.22Å |
| 563 | W | 95.6 | Very high | 94.7 | Very high | 35 Ų | 35 | 34.1 Ų | 34.1 | 13% | 0.133 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 139.7 | 167.3 | -71.9 | 90.7 | 0 | 0 | 0 | 109.8 | G552 L553 Y556 Q569 F572 S644 V646 | G552-W563 WeakPolarHBondContact O-CZ3 3.17Å; L553-W563 HydrophobicContact CD2-CH2 4.43Å; Y556-W563 AromaticContact CD2-CD1 3.85Å; Y556-W563 AromaticContact CD2-CD2 3.97Å; Y556-W563 HydrophobicContact CD2-CD2 3.97Å; Y556-W563 AromaticContact CD2-CE2 3.69Å; Y556-W563 HydrophobicContact CD2-CG 4.07Å; Y556-W563 HydrophobicContact CD2-CZ2 4.23Å; Y556-W563 AromaticContact CD2-NE1 3.6Å; Y556-W563 AromaticContact CE2-NE1 4Å; W563-Q569 HydrophobicContact CB-CB 3.88Å; W563-Q569 HydrophobicContact CB-CG 4.03Å; W563-Q569 VanDerWaalsContact CD1-CD 3.5Å; W563-Q569 HydrophobicContact CD2-CB 3.58Å; W563-Q569 HydrophobicContact CD2-CG 3.68Å; W563-Q569 HydrophobicContact CE3-CB 3.67Å; W563-Q569 HydrophobicContact CE3-CG 4.27Å; W563-Q569 HydrophobicContact CG-CB 3.66Å; W563-Q569 HydrophobicContact CG-CG 3.51Å; W563-Q569 HydrophobicContact CZ3-CB 4.37Å; W563-F572 HydrophobicContact CH2-CB 3.46Å; W563-F572 VanDerWaalsContact CH2-CB 3.46Å; W563-F572 AromaticContact CH2-CD1 3.73Å; W563-F572 HydrophobicContact CH2-CD1 3.73Å; W563-F572 HydrophobicContact CH2-CD2 4.04Å; W563-F572 HydrophobicContact CH2-CE1 4.48Å; W563-F572 AromaticContact CH2-CG 3.46Å; W563-F572 HydrophobicContact CH2-CG 3.46Å; W563-F572 VanDerWaalsContact CH2-CG 3.46Å; W563-F572 HydrophobicContact CZ2-CB 3.98Å; W563-F572 AromaticContact CZ2-CD1 3.38Å; W563-F572 HydrophobicContact CZ2-CD1 3.38Å; W563-F572 HydrophobicContact CZ2-CD2 4.42Å; W563-F572 AromaticContact CZ2-CE1 3.92Å; W563-F572 HydrophobicContact CZ2-CE1 3.92Å; W563-F572 AromaticContact CZ2-CG 3.66Å; W563-F572 HydrophobicContact CZ2-CG 3.66Å; W563-F572 HydrophobicContact CZ3-CB 4.18Å; W563-S644 PolarHBondContact NE1-O 3.49Å; W563-V646 HydrophobicContact CH2-CG2 4.24Å; W563-V646 HydrophobicContact CZ2-CG2 3.39Å |
| 564 | R | 94.3 | Very high | 94.8 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 10% | 0.102 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -108 | 3.6 | -177.6 | -51.7 | -172.4 | -60.6 | -73.8 | -0.1 | 113.5 | G110 T112 E554 F555 Y556 T557 | G110-R564 CarbonylContact C-O 3.13Å; G110-R564 WeakPolarHBondContact CA-O 3.48Å; G110-R564 WeakPolarHBondContact O-CB 3.23Å; G110-R564 WeakPolarHBondContact O-CD 3.43Å; G110-R564 PolarHBondContact O-NE 2.87Å; T112-R564 PolarHBondContact OG1-NE 3.33Å; T112-R564 PolarHBondContact OG1-NH2 3.48Å; E554-R564 PolarHBondContact O-NH2 2.84Å; F555-R564 PolarHBondContact O-N 3.42Å; Y556-R564 PolarHBondContact O-NH1 2.89Å; T557-R564 WeakPolarHBondContact OG1-CD 3.18Å; T557-R564 PolarHBondContact OG1-NH1 2.91Å |
| 565 | Q | 94.4 | Very high | 94.9 | Very high | 27 Ų | 27 | 32.6 Ų | 32.6 | 13% | 0.126 | 16% | 0.158 | C | C | . | . | trans | -152.4 | 119.9 | 179.5 | -152.7 | -71.2 | -27.4 | 0 | 0 | 110.4 | F109 F555 H567 M568 Q569 | F109-Q565 HydrophobicContact CD1-CG 4.14Å; F109-Q565 HydrophobicContact CD2-CG 3.73Å; F109-Q565 HydrophobicContact CE1-CG 4.03Å; F109-Q565 HydrophobicContact CE2-CG 3.66Å; F109-Q565 HydrophobicContact CG-CG 4.01Å; F109-Q565 HydrophobicContact CZ-CG 3.81Å; F555-Q565 HydrophobicContact CB-CB 4Å; F555-Q565 HydrophobicContact CD1-CB 4Å; F555-Q565 HydrophobicContact CG-CB 4.03Å; Q565-H567 PolarHBondContact NE2-CD2 3.01Å; Q565-M568 HydrophobicContact CB-CB 4.22Å; Q565-M568 HydrophobicContact CB-CG 4.29Å; Q565-M568 HydrophobicContact CG-CG 4.34Å; Q565-M568 PolarHBondContact O-N 3.21Å; Q565-M568 VanDerWaalsContact OE1-CG 3.27Å; Q565-Q569 PolarHBondContact O-N 3.16Å; Q565-Q569 VanDerWaalsContact O-N 3.08Å | ||
| 566 | A | 93.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.9 | -54.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y317 S504 E507 M568 Q569 A570 | Y317-A566 HydrophobicContact CD1-CB 4.26Å; S504-A566 PolarHBondContact OG-O 3.32Å; E507-A566 HydrophobicContact CG-CB 4.36Å; A566-M568 VanDerWaalsContact C-N 3.3Å; A566-M568 PolarHBondContact O-N 3.42Å; A566-Q569 PolarHBondContact O-N 2.68Å; A566-A570 WeakPolarHBondContact O-CB 3.45Å; A566-A570 PolarHBondContact O-N 3.13Å |
| 567 | H | 95.8 | Very high | 95.2 | Very high | 39 Ų | 39 | 34.7 Ų | 34.7 | 18% | 0.181 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -34.5 | 179.9 | -61.4 | -105.3 | 0 | 0 | 0 | 113.2 | E507 Q565 A570 R571 | E507-H567 IonicContact OE1-CE1 2.79Å; E507-H567 IonicContact OE1-NE2 3.57Å; E507-H567 IonicContact OE2-CE1 2.59Å; E507-H567 PolarHBondContact OE2-CE1 3.46Å; E507-H567 IonicContact OE2-ND1 2.96Å; E507-H567 PolarHBondContact OE2-ND1 3.31Å; E507-H567 VanDerWaalsContact OE2-ND1 3.13Å; E507-H567 IonicContact OE2-NE2 3.06Å; Q565-H567 PolarHBondContact NE2-CD2 3.01Å; H567-A570 WeakPolarHBondContact O-CB 3.48Å; H567-A570 PolarHBondContact O-N 3.44Å; H567-R571 WeakPolarHBondContact O-CB 3.35Å; H567-R571 VanDerWaalsContact O-CD 3.24Å; H567-R571 WeakPolarHBondContact O-CD 3.12Å; H567-R571 WeakPolarHBondContact O-CG 3.46Å; H567-R571 PolarHBondContact O-N 2.97Å |
| 568 | M | 97.8 | Very high | 95.5 | Very high | 14 Ų | 14 | 34.1 Ų | 34.1 | 7% | 0.069 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -75 | -36.1 | -178.8 | -66.6 | -54.6 | -86.3 | 0 | 0 | 111.2 | F109 L551 F555 Q565 A566 F572 | F109-M568 HydrophobicContact CE1-CG 3.73Å; F109-M568 HydrophobicContact CE1-SD 4.25Å; F109-M568 HydrophobicContact CZ-CG 3.52Å; F109-M568 HydrophobicContact CZ-SD 3.91Å; L551-M568 HydrophobicContact CB-CE 4.05Å; F555-M568 HydrophobicContact CB-CB 4.21Å; F555-M568 HydrophobicContact CD2-CB 3.78Å; F555-M568 HydrophobicContact CD2-CE 3.81Å; F555-M568 HydrophobicContact CD2-CG 3.53Å; F555-M568 HydrophobicContact CE2-CE 3.57Å; F555-M568 HydrophobicContact CE2-CG 3.87Å; F555-M568 HydrophobicContact CE2-SD 4.46Å; F555-M568 HydrophobicContact CG-CB 4.15Å; F555-M568 HydrophobicContact CG-CG 4.1Å; Q565-M568 HydrophobicContact CB-CB 4.22Å; Q565-M568 HydrophobicContact CB-CG 4.29Å; Q565-M568 HydrophobicContact CG-CG 4.34Å; Q565-M568 PolarHBondContact O-N 3.21Å; Q565-M568 VanDerWaalsContact OE1-CG 3.27Å; A566-M568 VanDerWaalsContact C-N 3.3Å; A566-M568 PolarHBondContact O-N 3.42Å; M568-F572 WeakPolarHBondContact O-CB 3.31Å; M568-F572 PolarHBondContact O-N 2.6Å |
| 569 | Q | 98.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 33.8 Ų | 33.8 | 9% | 0.093 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 167.4 | -178.5 | -177.8 | 16.9 | 0 | 0 | 110.9 | S504 W563 Q565 A566 R571 F572 V573 Y640 S644 | S504-Q569 VanDerWaalsContact CB-OE1 3.25Å; S504-Q569 WeakPolarHBondContact OG-CB 3.44Å; S504-Q569 WeakPolarHBondContact OG-CG 3.22Å; S504-Q569 PolarHBondContact OG-OE1 2.73Å; W563-Q569 HydrophobicContact CB-CB 3.88Å; W563-Q569 HydrophobicContact CB-CG 4.03Å; W563-Q569 VanDerWaalsContact CD1-CD 3.5Å; W563-Q569 HydrophobicContact CD2-CB 3.58Å; W563-Q569 HydrophobicContact CD2-CG 3.68Å; W563-Q569 HydrophobicContact CE3-CB 3.67Å; W563-Q569 HydrophobicContact CE3-CG 4.27Å; W563-Q569 HydrophobicContact CG-CB 3.66Å; W563-Q569 HydrophobicContact CG-CG 3.51Å; W563-Q569 HydrophobicContact CZ3-CB 4.37Å; Q565-Q569 PolarHBondContact O-N 3.16Å; Q565-Q569 VanDerWaalsContact O-N 3.08Å; A566-Q569 PolarHBondContact O-N 2.68Å; Q569-R571 PolarHBondContact O-N 3.12Å; Q569-F572 WeakPolarHBondContact O-CB 3.38Å; Q569-F572 PolarHBondContact O-N 2.75Å; Q569-V573 WeakPolarHBondContact O-CG2 3.47Å; Q569-V573 PolarHBondContact O-N 3.36Å; Q569-Y640 HydrophobicContact CG-CE1 4.34Å; Q569-S644 PolarHBondContact NE2-OG 2.81Å |
| 570 | A | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.4 | -48.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E507 C508 A566 H567 F572 V573 I574 Y640 | E507-A570 HydrophobicContact CB-CB 4.13Å; C508-A570 HydrophobicContact CB-CB 3.56Å; A566-A570 WeakPolarHBondContact O-CB 3.45Å; A566-A570 PolarHBondContact O-N 3.13Å; H567-A570 WeakPolarHBondContact O-CB 3.48Å; H567-A570 PolarHBondContact O-N 3.44Å; A570-F572 VanDerWaalsContact C-N 3.31Å; A570-F572 PolarHBondContact O-N 2.96Å; A570-V573 WeakPolarHBondContact O-CB 3.25Å; A570-V573 PolarHBondContact O-N 2.88Å; A570-I574 WeakPolarHBondContact O-CG1 3.36Å; A570-I574 PolarHBondContact O-N 3.46Å; A570-Y640 VanDerWaalsContact CA-OH 3.3Å; A570-Y640 WeakPolarHBondContact CA-OH 3.28Å |
| 571 | R | 98.8 | Very high | 96.8 | Very high | 42 Ų | 42 | 32.3 Ų | 32.3 | 16% | 0.158 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.3 | -36.7 | 177.4 | -69.3 | 159.2 | -179.2 | 166.8 | 4.5 | 112.1 | E511 M545 A548 G549 H567 Q569 I574 L575 | E511-R571 IonicContact OE1-CZ 3.89Å; E511-R571 IonicContact OE1-NE 3.36Å; E511-R571 PolarHBondContact OE1-NE 2.74Å; E511-R571 VanDerWaalsContact OE1-NE 3.1Å; E511-R571 IonicContact OE1-NH2 2.71Å; E511-R571 PolarHBondContact OE1-NH2 3.01Å; M545-R571 HydrophobicContact SD-CB 4.1Å; M545-R571 HydrophobicContact SD-CG 3.62Å; A548-R571 HydrophobicContact CB-CB 4.42Å; A548-R571 HydrophobicContact CB-CG 4.4Å; G549-R571 VanDerWaalsContact CA-C 3.46Å; G549-R571 WeakPolarHBondContact CA-O 3.26Å; H567-R571 WeakPolarHBondContact O-CB 3.35Å; H567-R571 VanDerWaalsContact O-CD 3.24Å; H567-R571 WeakPolarHBondContact O-CD 3.12Å; H567-R571 WeakPolarHBondContact O-CG 3.46Å; H567-R571 PolarHBondContact O-N 2.97Å; Q569-R571 PolarHBondContact O-N 3.12Å; R571-I574 PolarHBondContact O-N 3.45Å; R571-L575 WeakPolarHBondContact O-CB 3.25Å; R571-L575 PolarHBondContact O-N 3.36Å |
| 572 | F | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.2 | -42.6 | 173.3 | 178.7 | -98.5 | 0 | 0 | 0 | 111.9 | G549 L553 W563 M568 Q569 A570 I574 L575 R576 V646 F654 | G549-F572 WeakPolarHBondContact O-CD2 3.32Å; L553-F572 HydrophobicContact CD2-CD2 3.96Å; L553-F572 HydrophobicContact CD2-CE2 3.6Å; L553-F572 HydrophobicContact CD2-CZ 4.21Å; L553-F572 HydrophobicContact CG-CD2 4.35Å; L553-F572 HydrophobicContact CG-CE2 4.26Å; W563-F572 HydrophobicContact CH2-CB 3.46Å; W563-F572 VanDerWaalsContact CH2-CB 3.46Å; W563-F572 AromaticContact CH2-CD1 3.73Å; W563-F572 HydrophobicContact CH2-CD1 3.73Å; W563-F572 HydrophobicContact CH2-CD2 4.04Å; W563-F572 HydrophobicContact CH2-CE1 4.48Å; W563-F572 AromaticContact CH2-CG 3.46Å; W563-F572 HydrophobicContact CH2-CG 3.46Å; W563-F572 VanDerWaalsContact CH2-CG 3.46Å; W563-F572 HydrophobicContact CZ2-CB 3.98Å; W563-F572 AromaticContact CZ2-CD1 3.38Å; W563-F572 HydrophobicContact CZ2-CD1 3.38Å; W563-F572 HydrophobicContact CZ2-CD2 4.42Å; W563-F572 AromaticContact CZ2-CE1 3.92Å; W563-F572 HydrophobicContact CZ2-CE1 3.92Å; W563-F572 AromaticContact CZ2-CG 3.66Å; W563-F572 HydrophobicContact CZ2-CG 3.66Å; W563-F572 HydrophobicContact CZ3-CB 4.18Å; M568-F572 WeakPolarHBondContact O-CB 3.31Å; M568-F572 PolarHBondContact O-N 2.6Å; Q569-F572 WeakPolarHBondContact O-CB 3.38Å; Q569-F572 PolarHBondContact O-N 2.75Å; A570-F572 VanDerWaalsContact C-N 3.31Å; A570-F572 PolarHBondContact O-N 2.96Å; F572-I574 VanDerWaalsContact C-N 3.33Å; F572-I574 PolarHBondContact O-N 3.01Å; F572-L575 WeakPolarHBondContact O-CB 3.41Å; F572-L575 PolarHBondContact O-N 3.36Å; F572-R576 HydrophobicContact CD1-CG 4.04Å; F572-R576 HydrophobicContact CE1-CG 3.63Å; F572-R576 HydrophobicContact CE2-CG 4.2Å; F572-R576 HydrophobicContact CZ-CG 3.73Å; F572-R576 VanDerWaalsContact O-CG 3.23Å; F572-R576 WeakPolarHBondContact O-CG 3.47Å; F572-R576 PolarHBondContact O-N 2.67Å; F572-V646 HydrophobicContact CE1-CG2 3.95Å; F572-V646 HydrophobicContact CZ-CG2 4.04Å; F572-F654 AromaticContact CE2-CD1 3.6Å; F572-F654 HydrophobicContact CE2-CD1 3.6Å; F572-F654 AromaticContact CE2-CE1 3.82Å; F572-F654 HydrophobicContact CE2-CE1 3.82Å; F572-F654 HydrophobicContact CE2-CG 4.1Å; F572-F654 HydrophobicContact CZ-CD1 4.04Å; F572-F654 HydrophobicContact CZ-CD2 4.46Å; F572-F654 HydrophobicContact CZ-CE1 4.34Å; F572-F654 HydrophobicContact CZ-CG 4.08Å |
| 573 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 173.4 | 166.2 | 0 | 0 | 0 | 0 | 110.7 | Q569 A570 L575 R576 V577 F620 Y640 S644 | Q569-V573 WeakPolarHBondContact O-CG2 3.47Å; Q569-V573 PolarHBondContact O-N 3.36Å; A570-V573 WeakPolarHBondContact O-CB 3.25Å; A570-V573 PolarHBondContact O-N 2.88Å; V573-L575 PolarHBondContact O-N 3.47Å; V573-R576 WeakPolarHBondContact O-CB 3.46Å; V573-R576 PolarHBondContact O-N 3.27Å; V573-R576 VanDerWaalsContact O-N 3.15Å; V573-V577 WeakPolarHBondContact O-CG2 3.41Å; V573-V577 PolarHBondContact O-N 3.38Å; V573-F620 HydrophobicContact CG1-CE1 4.04Å; V573-F620 HydrophobicContact CG1-CE2 4.37Å; V573-F620 HydrophobicContact CG1-CZ 3.49Å; V573-F620 VanDerWaalsContact CG1-CZ 3.49Å; V573-Y640 HydrophobicContact CB-CE2 4.24Å; V573-Y640 HydrophobicContact CG1-CD2 4.25Å; V573-Y640 HydrophobicContact CG1-CE2 3.92Å; V573-Y640 HydrophobicContact CG2-CD2 4.44Å; V573-Y640 HydrophobicContact CG2-CE1 4.46Å; V573-Y640 HydrophobicContact CG2-CE2 3.95Å; V573-S644 VanDerWaalsContact CG2-CB 3.5Å |
| 574 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 177.4 | -65.7 | 166.6 | 0 | 0 | 0 | 111.1 | E511 L515 M545 A570 R571 F572 R576 V577 L578 I617 | E511-I574 HydrophobicContact CB-CD1 3.66Å; L515-I574 HydrophobicContact CD1-CG2 3.83Å; M545-I574 HydrophobicContact CE-CD1 4.29Å; M545-I574 HydrophobicContact CG-CB 4.37Å; M545-I574 HydrophobicContact CG-CG2 3.68Å; M545-I574 HydrophobicContact SD-CB 4.33Å; M545-I574 HydrophobicContact SD-CD1 3.79Å; M545-I574 HydrophobicContact SD-CG2 4.2Å; A570-I574 WeakPolarHBondContact O-CG1 3.36Å; A570-I574 PolarHBondContact O-N 3.46Å; R571-I574 PolarHBondContact O-N 3.45Å; F572-I574 VanDerWaalsContact C-N 3.33Å; F572-I574 PolarHBondContact O-N 3.01Å; I574-R576 VanDerWaalsContact C-N 3.27Å; I574-R576 PolarHBondContact O-N 3.45Å; I574-V577 PolarHBondContact O-N 2.94Å; I574-L578 HydrophobicContact CG2-CD1 4.12Å; I574-L578 HydrophobicContact CG2-CG 4.45Å; I574-L578 WeakPolarHBondContact O-CG 3.16Å; I574-L578 PolarHBondContact O-N 2.85Å; I574-I617 HydrophobicContact CG2-CD1 4.17Å |
| 575 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.4 | -44.5 | 174 | 169.5 | 64 | 0 | 0 | 0 | 111.3 | V546 L550 R571 F572 V573 L578 L579 V586 | V546-L575 HydrophobicContact CB-CD1 3.96Å; V546-L575 HydrophobicContact CG1-CD1 4.16Å; L550-L575 HydrophobicContact CB-CD2 4.21Å; R571-L575 WeakPolarHBondContact O-CB 3.25Å; R571-L575 PolarHBondContact O-N 3.36Å; F572-L575 WeakPolarHBondContact O-CB 3.41Å; F572-L575 PolarHBondContact O-N 3.36Å; V573-L575 PolarHBondContact O-N 3.47Å; L575-L578 PolarHBondContact O-N 3.31Å; L575-L579 HydrophobicContact CD1-CD1 3.9Å; L575-L579 HydrophobicContact CD1-CG 4.02Å; L575-L579 HydrophobicContact CG-CD1 3.89Å; L575-L579 HydrophobicContact CG-CG 4.43Å; L575-L579 WeakPolarHBondContact O-CB 3.23Å; L575-L579 WeakPolarHBondContact O-CG 3.37Å; L575-L579 PolarHBondContact O-N 3.25Å; L575-V586 HydrophobicContact CD1-CG1 4.08Å |
| 576 | R | 98.4 | Very high | 97.8 | Very high | 70 Ų | 70 | 30.3 Ų | 30.3 | 26% | 0.264 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 179.9 | -70 | -82.6 | -62.6 | -167 | 5 | 112.3 | F572 V573 I574 L579 E580 Y643 F654 | F572-R576 HydrophobicContact CD1-CG 4.04Å; F572-R576 HydrophobicContact CE1-CG 3.63Å; F572-R576 HydrophobicContact CE2-CG 4.2Å; F572-R576 HydrophobicContact CZ-CG 3.73Å; F572-R576 VanDerWaalsContact O-CG 3.23Å; F572-R576 WeakPolarHBondContact O-CG 3.47Å; F572-R576 PolarHBondContact O-N 2.67Å; V573-R576 WeakPolarHBondContact O-CB 3.46Å; V573-R576 PolarHBondContact O-N 3.27Å; V573-R576 VanDerWaalsContact O-N 3.15Å; I574-R576 VanDerWaalsContact C-N 3.27Å; I574-R576 PolarHBondContact O-N 3.45Å; R576-L579 PolarHBondContact O-N 3.04Å; R576-E580 WeakPolarHBondContact O-CB 3.07Å; R576-E580 PolarHBondContact O-N 3.42Å; R576-Y643 HydrophobicContact CB-CD1 4.02Å; R576-Y643 WeakPolarHBondContact CG-O 3.5Å; R576-F654 VanDerWaalsContact NH1-CD2 3.28Å |
| 577 | V | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 173.3 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | V573 I574 E580 A581 A616 F620 Y643 | V573-V577 WeakPolarHBondContact O-CG2 3.41Å; V573-V577 PolarHBondContact O-N 3.38Å; I574-V577 PolarHBondContact O-N 2.94Å; V577-E580 PolarHBondContact O-N 3.29Å; V577-A581 PolarHBondContact O-N 3.14Å; V577-A581 VanDerWaalsContact O-N 3.08Å; V577-A616 HydrophobicContact CG1-CB 4.39Å; V577-F620 HydrophobicContact CG1-CB 3.97Å; V577-F620 HydrophobicContact CG1-CD1 4.37Å; V577-F620 HydrophobicContact CG1-CG 4.12Å; V577-F620 HydrophobicContact CG2-CD1 3.93Å; V577-F620 HydrophobicContact CG2-CD2 3.78Å; V577-F620 HydrophobicContact CG2-CE1 4.02Å; V577-F620 HydrophobicContact CG2-CE2 3.9Å; V577-F620 HydrophobicContact CG2-CG 3.81Å; V577-F620 HydrophobicContact CG2-CZ 4.03Å; V577-Y643 HydrophobicContact CG2-CD1 3.87Å; V577-Y643 HydrophobicContact CG2-CD2 4.15Å; V577-Y643 HydrophobicContact CG2-CE1 3.84Å; V577-Y643 HydrophobicContact CG2-CE2 4.11Å; V577-Y643 HydrophobicContact CG2-CG 4.03Å |
| 578 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.9 | -31.6 | -179.9 | -64.3 | 178 | 0 | 0 | 0 | 113.1 | W542 V546 I574 L575 L585 V586 A616 I617 | W542-L578 HydrophobicContact CE3-CD1 4.21Å; W542-L578 HydrophobicContact CZ3-CD1 4.15Å; W542-L578 HydrophobicContact CZ3-CD2 3.82Å; V546-L578 HydrophobicContact CG1-CD1 3.71Å; I574-L578 HydrophobicContact CG2-CD1 4.12Å; I574-L578 HydrophobicContact CG2-CG 4.45Å; I574-L578 WeakPolarHBondContact O-CG 3.16Å; I574-L578 PolarHBondContact O-N 2.85Å; L575-L578 PolarHBondContact O-N 3.31Å; L578-L585 HydrophobicContact CB-CD2 4.44Å; L578-L585 HydrophobicContact CD2-CD2 4.02Å; L578-V586 HydrophobicContact CB-CG2 3.79Å; L578-A616 HydrophobicContact CD2-CB 4.43Å; L578-I617 HydrophobicContact CD2-CD1 3.92Å; L578-I617 HydrophobicContact CD2-CG1 4.01Å; L578-I617 HydrophobicContact CG-CD1 4.4Å |
| 579 | L | 98.2 | Very high | 97.9 | Very high | 30 Ų | 30 | 33.5 Ų | 33.5 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.8 | -41.6 | 171.2 | -74.5 | 169.1 | 0 | 0 | 0 | 111.6 | L575 R576 A581 G582 V586 L588 F654 | L575-L579 HydrophobicContact CD1-CD1 3.9Å; L575-L579 HydrophobicContact CD1-CG 4.02Å; L575-L579 HydrophobicContact CG-CD1 3.89Å; L575-L579 HydrophobicContact CG-CG 4.43Å; L575-L579 WeakPolarHBondContact O-CB 3.23Å; L575-L579 WeakPolarHBondContact O-CG 3.37Å; L575-L579 PolarHBondContact O-N 3.25Å; R576-L579 PolarHBondContact O-N 3.04Å; L579-A581 VanDerWaalsContact C-N 3.28Å; L579-A581 PolarHBondContact O-N 3.06Å; L579-G582 PolarHBondContact O-N 2.65Å; L579-V586 HydrophobicContact CD2-CB 4.02Å; L579-V586 HydrophobicContact CD2-CG1 3.9Å; L579-V586 HydrophobicContact CG-CG1 4.45Å; L579-L588 HydrophobicContact CD1-CD2 4.31Å; L579-L588 HydrophobicContact CD2-CB 4.37Å; L579-F654 HydrophobicContact CD1-CE1 4.48Å; L579-F654 HydrophobicContact CD1-CZ 3.83Å |
| 580 | E | 97.8 | Very high | 97.8 | Very high | 132 Ų | 132 | 36.1 Ų | 36.1 | 62% | 0.617 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -63.3 | -34.1 | 176.8 | -176.5 | -173.6 | -116.1 | 0 | 0 | 112.3 | R576 V577 G582 Y643 | R576-E580 WeakPolarHBondContact O-CB 3.07Å; R576-E580 PolarHBondContact O-N 3.42Å; V577-E580 PolarHBondContact O-N 3.29Å; E580-G582 PolarHBondContact O-N 3.36Å; E580-G582 VanDerWaalsContact O-N 3.09Å; E580-Y643 WeakPolarHBondContact OE2-CE1 3.26Å; E580-Y643 PolarHBondContact OE2-OH 3.23Å |
| 581 | A | 97.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 37.8 Ų | 37.8 | 19% | 0.19 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -24 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V577 L579 V612 A616 | V577-A581 PolarHBondContact O-N 3.14Å; V577-A581 VanDerWaalsContact O-N 3.08Å; L579-A581 VanDerWaalsContact C-N 3.28Å; L579-A581 PolarHBondContact O-N 3.06Å; A581-V612 HydrophobicContact CB-CG1 3.94Å; A581-A616 HydrophobicContact CB-CB 3.67Å |
| 582 | G | 95.9 | Very high | 97.6 | Very high | 31 Ų | 31 | 43 Ų | 43 | 32% | 0.32 | 23% | 0.234 | S | C | . | . | trans | 67.8 | -142 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L579 E580 G584 L585 | L579-G582 PolarHBondContact O-N 2.65Å; E580-G582 PolarHBondContact O-N 3.36Å; E580-G582 VanDerWaalsContact O-N 3.09Å; G582-G584 PolarHBondContact O-N 2.88Å; G582-L585 PolarHBondContact O-N 3.2Å; G582-L585 VanDerWaalsContact O-N 3.08Å | ||
| 583 | E | 97.1 | Very high | 97.3 | Very high | 146 Ų | 146 | 43.4 Ų | 43.4 | 68% | 0.682 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 16 | 178.3 | -57.2 | -59.4 | 133.4 | 0 | 0 | 114.9 | L585 K608 V612 | E583-L585 VanDerWaalsContact C-N 3.3Å; E583-L585 PolarHBondContact O-N 2.93Å; E583-K608 WeakPolarHBondContact O-CD 3.27Å; E583-K608 WeakPolarHBondContact O-CE 3.13Å; E583-K608 PolarHBondContact O-NZ 2.8Å; E583-V612 HydrophobicContact CB-CG1 4.13Å; E583-V612 HydrophobicContact CB-CG2 3.86Å; E583-V612 HydrophobicContact CG-CG1 4.36Å; E583-V612 HydrophobicContact CG-CG2 4.2Å |
| 584 | G | 96.4 | Very high | 97 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 54% | 0.536 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 29.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G582 D605 K608 | G582-G584 PolarHBondContact O-N 2.88Å; G584-D605 WeakPolarHBondContact O-CB 3.35Å; G584-K608 PolarHBondContact O-NZ 2.88Å |
| 585 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -65.3 | -53.8 | 172.8 | 172.6 | 66.6 | 0 | 0 | 0 | 111.2 | L578 G582 E583 L604 D605 K608 I609 V612 G613 | L578-L585 HydrophobicContact CB-CD2 4.44Å; L578-L585 HydrophobicContact CD2-CD2 4.02Å; G582-L585 PolarHBondContact O-N 3.2Å; G582-L585 VanDerWaalsContact O-N 3.08Å; E583-L585 VanDerWaalsContact C-N 3.3Å; E583-L585 PolarHBondContact O-N 2.93Å; L585-L604 HydrophobicContact CD1-CD1 4.11Å; L585-L604 HydrophobicContact CG-CD1 4.37Å; L585-L604 WeakPolarHBondContact O-CA 3.22Å; L585-D605 PolarHBondContact O-N 3.31Å; L585-K608 HydrophobicContact CB-CB 4.43Å; L585-K608 HydrophobicContact CD1-CB 3.64Å; L585-I609 HydrophobicContact CD1-CG1 4.43Å; L585-V612 HydrophobicContact CB-CB 4.47Å; L585-V612 HydrophobicContact CB-CG1 4.16Å; L585-V612 HydrophobicContact CD2-CB 4.42Å; L585-V612 HydrophobicContact CD2-CG1 4.15Å; L585-G613 VanDerWaalsContact CD2-CA 3.4Å |
| 586 | V | 98.3 | Very high | 96.5 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.3 | 178 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | V546 L575 L578 L579 T603 L604 | V546-V586 HydrophobicContact CB-CG1 4.35Å; V546-V586 HydrophobicContact CG1-CG1 4.21Å; V546-V586 HydrophobicContact CG1-CG2 3.89Å; L575-V586 HydrophobicContact CD1-CG1 4.08Å; L578-V586 HydrophobicContact CB-CG2 3.79Å; L579-V586 HydrophobicContact CD2-CB 4.02Å; L579-V586 HydrophobicContact CD2-CG1 3.9Å; L579-V586 HydrophobicContact CG-CG1 4.45Å; V586-T603 WeakPolarHBondContact CA-O 3.29Å; V586-L604 HydrophobicContact CG2-CD1 4.01Å |
| 587 | G | 97.2 | Very high | 96.4 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I602 T603 | G587-I602 WeakPolarHBondContact O-CA 3.25Å; G587-T603 VanDerWaalsContact CA-OG1 3.32Å; G587-T603 WeakPolarHBondContact CA-OG1 3.45Å; G587-T603 PolarHBondContact N-O 2.97Å; G587-T603 PolarHBondContact N-OG1 2.92Å; G587-T603 PolarHBondContact O-N 3.09Å |
| 588 | L | 97.1 | Very high | 96.4 | Very high | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 109.7 | 176.7 | 176.1 | 59 | 0 | 0 | 0 | 109 | L550 L579 R601 I602 H652 F654 L657 | L550-L588 HydrophobicContact CD1-CD1 4.19Å; L550-L588 HydrophobicContact CD2-CD1 3.93Å; L579-L588 HydrophobicContact CD1-CD2 4.31Å; L579-L588 HydrophobicContact CD2-CB 4.37Å; L588-R601 WeakPolarHBondContact CA-O 3.48Å; L588-I602 HydrophobicContact CD1-CG1 3.86Å; L588-H652 PolarHBondContact O-CE1 3.03Å; L588-H652 PolarHBondContact O-ND1 3.4Å; L588-F654 HydrophobicContact CD2-CE1 3.69Å; L588-F654 HydrophobicContact CD2-CZ 4.12Å; L588-L657 HydrophobicContact CD1-CD1 4.4Å; L588-L657 HydrophobicContact CD1-CD2 4.45Å; L588-L657 HydrophobicContact CD2-CD1 3.72Å; L588-L657 HydrophobicContact CG-CD1 4.1Å |
| 589 | E | 95.9 | Very high | 96.3 | Very high | 106 Ų | 106 | 66 Ų | 66 | 50% | 0.495 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.5 | -175.5 | -63.6 | -179.3 | 172.9 | 0 | 0 | 110.6 | V591 A600 R601 | E589-V591 HydrophobicContact CB-CG1 4.29Å; E589-A600 CarbonylContact O-C 3.55Å; E589-A600 VanDerWaalsContact O-CA 3.25Å; E589-A600 WeakPolarHBondContact O-CA 3.49Å; E589-R601 PolarHBondContact N-O 3.4Å; E589-R601 PolarHBondContact O-N 3.1Å |
| 590 | E | 96.1 | Very high | 96.2 | Very high | 76 Ų | 76 | 64.8 Ų | 64.8 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 129.3 | 167.3 | -69 | 177 | -115.8 | 0 | 0 | 108.8 | R656 L657 | E590-R656 VanDerWaalsContact CD-NE 3.34Å; E590-R656 VanDerWaalsContact CD-NH2 3.27Å; E590-R656 IonicContact OE1-CZ 3.6Å; E590-R656 IonicContact OE1-NE 3Å; E590-R656 PolarHBondContact OE1-NE 3.29Å; E590-R656 IonicContact OE1-NH2 2.75Å; E590-R656 PolarHBondContact OE1-NH2 2.83Å; E590-R656 IonicContact OE2-CZ 2.82Å; E590-R656 VanDerWaalsContact OE2-CZ 3.22Å; E590-R656 IonicContact OE2-NE 2.76Å; E590-R656 PolarHBondContact OE2-NE 2.91Å; E590-R656 IonicContact OE2-NH2 3.5Å; E590-R656 PolarHBondContact OE2-NH2 2.83Å; E590-L657 HydrophobicContact CG-CD2 3.52Å; E590-L657 HydrophobicContact CG-CG 4.1Å |
| 591 | V | 96.7 | Very high | 96.2 | Very high | 35 Ų | 35 | 62.9 Ų | 62.9 | 21% | 0.212 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 170 | -175.4 | -57 | 0 | 0 | 0 | 0 | 110.4 | E589 D599 R601 | E589-V591 HydrophobicContact CB-CG1 4.29Å; V591-D599 HydrophobicContact CG2-CB 3.95Å; V591-D599 PolarHBondContact N-O 3.1Å; V591-D599 CarbonylContact O-C 3.6Å; V591-D599 WeakPolarHBondContact O-CA 3.23Å; V591-D599 PolarHBondContact O-N 3.15Å; V591-R601 HydrophobicContact CG1-CB 4.19Å; V591-R601 HydrophobicContact CG2-CB 4.44Å |
| 592 | E | 96.6 | Very high | 96.1 | Very high | 151 Ų | 151 | 61.8 Ų | 61.8 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.8 | 169.1 | -165.9 | 176.7 | 110.8 | 0 | 0 | 109.1 | ||
| 593 | G | 92.6 | Very high | 96.2 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 8% | 0.082 | 34% | 0.336 | C | S | . | . | trans | -72.3 | 166.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | D595 G596 K597 | G593-D595 PolarHBondContact O-N 2.96Å; G593-D595 VanDerWaalsContact O-N 3.08Å; G593-G596 PolarHBondContact O-N 3.36Å; G593-K597 PolarHBondContact N-O 3Å | ||
| 594 | Q | 90.5 | Very high | 96.3 | Very high | 209 Ų | 209 | 55.9 Ų | 55.9 | 98% | 0.977 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.6 | 178.6 | -65 | -179.8 | 0.7 | 0 | 0 | 113.6 | G596 | Q594-G596 VanDerWaalsContact C-N 3.31Š|
| 595 | D | 93.2 | Very high | 96.4 | Very high | 83 Ų | 83 | 56 Ų | 56 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 6.2 | 175.8 | 64 | -13.2 | 0 | 0 | 0 | 113.7 | G593 K597 R664 | G593-D595 PolarHBondContact O-N 2.96Å; G593-D595 VanDerWaalsContact O-N 3.08Å; D595-K597 PolarHBondContact O-N 2.92Å; D595-K597 PolarHBondContact OD1-N 3.29Å; D595-R664 VanDerWaalsContact CG-NH1 3.26Å; D595-R664 IonicContact OD1-CZ 3.34Å; D595-R664 IonicContact OD1-NH1 3.81Å; D595-R664 PolarHBondContact OD1-NH1 2.9Å; D595-R664 VanDerWaalsContact OD1-NH1 3.13Å; D595-R664 IonicContact OD1-NH2 2.92Å; D595-R664 PolarHBondContact OD1-NH2 3.02Å; D595-R664 IonicContact OD2-CZ 3.74Å; D595-R664 IonicContact OD2-NH1 3.64Å; D595-R664 PolarHBondContact OD2-NH1 3.49Å; D595-R664 IonicContact OD2-NH2 3.86Å |
| 596 | G | 95.9 | Very high | 96.3 | Very high | 46 Ų | 46 | 59.8 Ų | 59.8 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 73.1 | 11.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G593 Q594 | G593-G596 PolarHBondContact O-N 3.36Å; Q594-G596 VanDerWaalsContact C-N 3.31Å |
| 597 | K | 95.9 | Very high | 96.3 | Very high | 107 Ų | 107 | 63.4 Ų | 63.4 | 47% | 0.465 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -102.6 | 159.8 | 179.1 | -65.8 | -177.8 | -174.9 | 172.1 | 0 | 111.4 | G593 D595 D599 L663 R664 | G593-K597 PolarHBondContact N-O 3Å; D595-K597 PolarHBondContact O-N 2.92Å; D595-K597 PolarHBondContact OD1-N 3.29Å; K597-D599 PolarHBondContact O-N 3.31Å; K597-L663 HydrophobicContact CB-CD2 4.11Å; K597-L663 HydrophobicContact CD-CD2 4.44Å; K597-R664 PolarHBondContact O-NH2 2.88Å |
| 598 | P | 97.1 | Very high | 96.4 | Very high | 74 Ų | 74 | 65.1 Ų | 65.1 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.4 | 137.8 | 173.7 | -27.6 | 35.6 | 0 | 0 | 0 | 112.6 | T660 L663 R664 | P598-T660 HydrophobicContact CB-CG2 4.4Å; P598-L663 HydrophobicContact CB-CD2 4.44Å; P598-L663 HydrophobicContact CG-CD2 4.48Å; P598-R664 PolarHBondContact O-NE 3.44Å; P598-R664 PolarHBondContact O-NH2 2.86Å |
| 599 | D | 96.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 18% | 0.176 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 174.2 | 176.9 | -160.6 | 4.9 | 0 | 0 | 0 | 109.3 | F425 V591 K597 T660 R664 | F425-D599 WeakPolarHBondContact CD1-OD1 3.46Å; F425-D599 WeakPolarHBondContact CE1-OD1 3.46Å; V591-D599 HydrophobicContact CG2-CB 3.95Å; V591-D599 PolarHBondContact N-O 3.1Å; V591-D599 CarbonylContact O-C 3.6Å; V591-D599 WeakPolarHBondContact O-CA 3.23Å; V591-D599 PolarHBondContact O-N 3.15Å; K597-D599 PolarHBondContact O-N 3.31Å; D599-T660 VanDerWaalsContact CA-CG2 3.44Å; D599-R664 IonicContact OD1-NE 3.62Å |
| 600 | A | 96.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 3% | 0.025 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 163.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | F425 L550 E589 L657 | F425-A600 WeakPolarHBondContact CA-O 3.46Å; F425-A600 HydrophobicContact CD1-CB 3.71Å; F425-A600 WeakPolarHBondContact CD1-O 3.42Å; F425-A600 HydrophobicContact CE1-CB 3.98Å; F425-A600 HydrophobicContact CG-CB 4.47Å; L550-A600 HydrophobicContact CD2-CB 4.08Å; E589-A600 CarbonylContact O-C 3.55Å; E589-A600 VanDerWaalsContact O-CA 3.25Å; E589-A600 WeakPolarHBondContact O-CA 3.49Å; A600-L657 HydrophobicContact CB-CD2 3.84Å |
| 601 | R | 96.9 | Very high | 96.6 | Very high | 93 Ų | 93 | 63.5 Ų | 63.5 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126.8 | 176.2 | -174.8 | -179.1 | -64 | 158.2 | 6.9 | 109.8 | E427 L588 E589 V591 T603 | E427-R601 HydrophobicContact CG-CG 3.91Å; L588-R601 WeakPolarHBondContact CA-O 3.48Å; E589-R601 PolarHBondContact N-O 3.4Å; E589-R601 PolarHBondContact O-N 3.1Å; V591-R601 HydrophobicContact CG1-CB 4.19Å; V591-R601 HydrophobicContact CG2-CB 4.44Å; R601-T603 HydrophobicContact CG-CG2 4.26Å |
| 602 | I | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 132.2 | 169.3 | -73.7 | 173.3 | 0 | 0 | 0 | 109 | F425 L543 V546 L550 G587 L588 | F425-I602 PolarHBondContact O-N 3.2Å; L543-I602 HydrophobicContact CD1-CG2 4.24Å; V546-I602 HydrophobicContact CB-CG2 4.3Å; V546-I602 HydrophobicContact CG2-CG2 3.64Å; V546-I602 WeakPolarHBondContact O-CD1 3.48Å; L550-I602 HydrophobicContact CB-CD1 3.54Å; L550-I602 HydrophobicContact CD2-CD1 3.55Å; L550-I602 HydrophobicContact CD2-CG1 4Å; L550-I602 HydrophobicContact CG-CD1 4.17Å; G587-I602 WeakPolarHBondContact O-CA 3.25Å; L588-I602 HydrophobicContact CD1-CG1 3.86Å |
| 603 | T | 97.4 | Very high | 96.7 | Very high | 42 Ų | 42 | 56.1 Ų | 56.1 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.7 | 171.4 | 60.5 | 0 | 0 | 0 | 0 | 109.9 | E427 V586 G587 R601 | E427-T603 HydrophobicContact CG-CG2 4.22Å; V586-T603 WeakPolarHBondContact CA-O 3.29Å; G587-T603 VanDerWaalsContact CA-OG1 3.32Å; G587-T603 WeakPolarHBondContact CA-OG1 3.45Å; G587-T603 PolarHBondContact N-O 2.97Å; G587-T603 PolarHBondContact N-OG1 2.92Å; G587-T603 PolarHBondContact O-N 3.09Å; R601-T603 HydrophobicContact CG-CG2 4.26Å |
| 604 | L | 98.5 | Very high | 97 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.5 | 174.8 | 179.5 | 68.6 | 0 | 0 | 0 | 109.5 | Y539 W542 L543 L585 V586 R606 I609 | Y539-L604 HydrophobicContact CD2-CD2 4.12Å; Y539-L604 HydrophobicContact CE2-CB 4.11Å; Y539-L604 HydrophobicContact CE2-CD2 3.97Å; Y539-L604 HydrophobicContact CE2-CG 4.09Å; Y539-L604 WeakPolarHBondContact CE2-O 3.17Å; Y539-L604 PolarHBondContact OH-O 2.85Å; W542-L604 HydrophobicContact CB-CD2 3.58Å; L543-L604 HydrophobicContact CB-CD2 4.04Å; L543-L604 HydrophobicContact CD1-CB 4.03Å; L585-L604 HydrophobicContact CD1-CD1 4.11Å; L585-L604 HydrophobicContact CG-CD1 4.37Å; L585-L604 WeakPolarHBondContact O-CA 3.22Å; V586-L604 HydrophobicContact CG2-CD1 4.01Å; L604-R606 PolarHBondContact O-N 3.01Å; L604-I609 HydrophobicContact CD1-CG1 4.49Å; L604-I609 HydrophobicContact CD2-CD1 3.93Å; L604-I609 HydrophobicContact CD2-CG1 4.47Å; L604-I609 HydrophobicContact CG-CD1 4.34Å |
| 605 | D | 98.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | trans | -83.4 | 104.2 | 176 | -174.1 | -20.8 | 0 | 0 | 0 | 110.4 | G584 L585 S607 K608 | G584-D605 WeakPolarHBondContact O-CB 3.35Å; L585-D605 PolarHBondContact O-N 3.31Å; D605-S607 PolarHBondContact O-N 2.69Å; D605-S607 VanDerWaalsContact O-N 3.17Å; D605-S607 WeakPolarHBondContact OD1-CB 3.46Å; D605-S607 PolarHBondContact OD1-N 2.88Å; D605-S607 PolarHBondContact OD1-OG 3.5Å; D605-K608 HydrophobicContact CB-CB 4.46Å; D605-K608 HydrophobicContact CB-CD 4.21Å; D605-K608 HydrophobicContact CB-CG 4.45Å; D605-K608 PolarHBondContact O-N 3.35Å; D605-K608 VanDerWaalsContact O-N 3.11Å; D605-K608 WeakPolarHBondContact OD2-CD 3.35Å; D605-K608 WeakPolarHBondContact OD2-CE 3.37Å; D605-K608 IonicContact OD2-NZ 3.28Å; D605-K608 PolarHBondContact OD2-NZ 3.46Å | ||
| 606 | R | 97.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 50 Ų | 50 | 30% | 0.302 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -53.2 | -37 | -179.6 | -174.1 | -178.8 | -70.5 | -126.6 | 12.4 | 112.9 | E535 D536 Y539 L604 K608 I609 | E535-R606 VanDerWaalsContact C-NH1 3.26Å; E535-R606 PolarHBondContact O-NH1 3.5Å; D536-R606 IonicContact OD1-CZ 3.7Å; D536-R606 VanDerWaalsContact OD1-CZ 3.31Å; D536-R606 IonicContact OD1-NH1 2.89Å; D536-R606 PolarHBondContact OD1-NH1 3.36Å; D536-R606 IonicContact OD1-NH2 3.61Å; D536-R606 PolarHBondContact OD1-NH2 2.93Å; Y539-R606 HydrophobicContact CD2-CB 3.74Å; Y539-R606 HydrophobicContact CD2-CG 3.93Å; Y539-R606 HydrophobicContact CE2-CB 3.98Å; Y539-R606 HydrophobicContact CG-CG 4.47Å; Y539-R606 VanDerWaalsContact CG-CZ 3.44Å; Y539-R606 VanDerWaalsContact CG-NH2 3.35Å; L604-R606 PolarHBondContact O-N 3.01Å; R606-K608 PolarHBondContact O-N 2.83Å; R606-I609 PolarHBondContact O-N 3.18Å |
| 607 | S | 98.1 | Very high | 97.8 | Very high | 91 Ų | 91 | 47.8 Ų | 47.8 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -69.5 | -18 | -175.2 | 73.2 | 0 | 0 | 0 | 0 | 113.5 | D605 | D605-S607 PolarHBondContact O-N 2.69Å; D605-S607 VanDerWaalsContact O-N 3.17Å; D605-S607 WeakPolarHBondContact OD1-CB 3.46Å; D605-S607 PolarHBondContact OD1-N 2.88Å; D605-S607 PolarHBondContact OD1-OG 3.5Å |
| 608 | K | 98.6 | Very high | 97.9 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 24% | 0.243 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -103.1 | -3.8 | -175.9 | -66.2 | 177.8 | -173.5 | 144.7 | 0 | 113.8 | E583 G584 L585 D605 R606 T611 V612 G613 | E583-K608 WeakPolarHBondContact O-CD 3.27Å; E583-K608 WeakPolarHBondContact O-CE 3.13Å; E583-K608 PolarHBondContact O-NZ 2.8Å; G584-K608 PolarHBondContact O-NZ 2.88Å; L585-K608 HydrophobicContact CB-CB 4.43Å; L585-K608 HydrophobicContact CD1-CB 3.64Å; D605-K608 HydrophobicContact CB-CB 4.46Å; D605-K608 HydrophobicContact CB-CD 4.21Å; D605-K608 HydrophobicContact CB-CG 4.45Å; D605-K608 PolarHBondContact O-N 3.35Å; D605-K608 VanDerWaalsContact O-N 3.11Å; D605-K608 WeakPolarHBondContact OD2-CD 3.35Å; D605-K608 WeakPolarHBondContact OD2-CE 3.37Å; D605-K608 IonicContact OD2-NZ 3.28Å; D605-K608 PolarHBondContact OD2-NZ 3.46Å; R606-K608 PolarHBondContact O-N 2.83Å; K608-T611 WeakPolarHBondContact CA-OG1 3.32Å; K608-T611 PolarHBondContact O-N 2.68Å; K608-T611 PolarHBondContact O-OG1 3.48Å; K608-V612 HydrophobicContact CB-CB 4.27Å; K608-V612 HydrophobicContact CB-CG2 4.1Å; K608-V612 HydrophobicContact CD-CG2 4.44Å; K608-V612 HydrophobicContact CG-CG2 4.33Å; K608-V612 PolarHBondContact O-N 3.01Å; K608-G613 PolarHBondContact O-N 3.13Å |
| 609 | I | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -59.9 | -51.7 | 179.1 | -67.1 | 174.5 | 0 | 0 | 0 | 110.3 | L519 V538 Y539 W542 L585 L604 R606 T611 G613 K614 | L519-I609 HydrophobicContact CD2-CG2 3.71Å; V538-I609 HydrophobicContact CG1-CG2 4.34Å; Y539-I609 HydrophobicContact CD2-CD1 4.03Å; W542-I609 HydrophobicContact CB-CD1 4.16Å; W542-I609 HydrophobicContact CD2-CG2 3.66Å; W542-I609 HydrophobicContact CE3-CG2 4.12Å; W542-I609 HydrophobicContact CG-CD1 4.29Å; W542-I609 HydrophobicContact CG-CG2 4.03Å; W542-I609 HydrophobicContact CH2-CG2 4.38Å; W542-I609 HydrophobicContact CZ2-CG2 3.96Å; W542-I609 HydrophobicContact CZ3-CG2 4.44Å; L585-I609 HydrophobicContact CD1-CG1 4.43Å; L604-I609 HydrophobicContact CD1-CG1 4.49Å; L604-I609 HydrophobicContact CD2-CD1 3.93Å; L604-I609 HydrophobicContact CD2-CG1 4.47Å; L604-I609 HydrophobicContact CG-CD1 4.34Å; R606-I609 PolarHBondContact O-N 3.18Å; I609-T611 PolarHBondContact O-N 3.43Å; I609-G613 CarbonylContact O-C 3.52Å; I609-G613 PolarHBondContact O-N 3.3Å; I609-K614 PolarHBondContact O-N 2.88Å |
| 610 | S | 97.3 | Very high | 98.1 | Very high | 79 Ų | 79 | 49.1 Ų | 49.1 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | I | π-helix | trans | -77.2 | -6.2 | -175.8 | -54.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 611 | T | 97.6 | Very high | 98.1 | Very high | 76 Ų | 76 | 49 Ų | 49 | 47% | 0.466 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -112.6 | -81.1 | 179.3 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | K608 I609 D615 | K608-T611 WeakPolarHBondContact CA-OG1 3.32Å; K608-T611 PolarHBondContact O-N 2.68Å; K608-T611 PolarHBondContact O-OG1 3.48Å; I609-T611 PolarHBondContact O-N 3.43Å; T611-D615 WeakPolarHBondContact O-CB 3.42Å; T611-D615 PolarHBondContact O-N 3.34Å; T611-D615 VanDerWaalsContact O-N 3.15Å |
| 612 | V | 98.6 | Very high | 98.2 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -64.1 | -49.7 | -177.3 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | A581 E583 L585 K608 D615 A616 | A581-V612 HydrophobicContact CB-CG1 3.94Å; E583-V612 HydrophobicContact CB-CG1 4.13Å; E583-V612 HydrophobicContact CB-CG2 3.86Å; E583-V612 HydrophobicContact CG-CG1 4.36Å; E583-V612 HydrophobicContact CG-CG2 4.2Å; L585-V612 HydrophobicContact CB-CB 4.47Å; L585-V612 HydrophobicContact CB-CG1 4.16Å; L585-V612 HydrophobicContact CD2-CB 4.42Å; L585-V612 HydrophobicContact CD2-CG1 4.15Å; K608-V612 HydrophobicContact CB-CB 4.27Å; K608-V612 HydrophobicContact CB-CG2 4.1Å; K608-V612 HydrophobicContact CD-CG2 4.44Å; K608-V612 HydrophobicContact CG-CG2 4.33Å; K608-V612 PolarHBondContact O-N 3.01Å; V612-D615 PolarHBondContact O-N 2.99Å; V612-A616 WeakPolarHBondContact O-CB 3.44Å; V612-A616 PolarHBondContact O-N 3.02Å |
| 613 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -65.2 | -48.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L585 K608 I609 D615 A616 I617 | L585-G613 VanDerWaalsContact CD2-CA 3.4Å; K608-G613 PolarHBondContact O-N 3.13Å; I609-G613 CarbonylContact O-C 3.52Å; I609-G613 PolarHBondContact O-N 3.3Å; G613-D615 PolarHBondContact O-N 3.35Å; G613-A616 PolarHBondContact O-N 2.95Å; G613-I617 WeakPolarHBondContact O-CG1 3.06Å; G613-I617 PolarHBondContact O-N 2.93Å |
| 614 | K | 98.4 | Very high | 98.3 | Very high | 73 Ų | 73 | 46.5 Ų | 46.5 | 32% | 0.317 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 177.6 | -173.5 | -179.7 | 179.2 | 179.6 | 0 | 111.7 | Y516 L519 I609 A616 I617 H618 | Y516-K614 HydrophobicContact CD2-CG 4.09Å; Y516-K614 HydrophobicContact CE2-CD 4.41Å; Y516-K614 HydrophobicContact CE2-CG 3.7Å; L519-K614 HydrophobicContact CD1-CB 3.87Å; L519-K614 HydrophobicContact CD1-CD 3.9Å; L519-K614 HydrophobicContact CD1-CG 3.89Å; I609-K614 PolarHBondContact O-N 2.88Å; K614-A616 VanDerWaalsContact C-N 3.34Å; K614-A616 PolarHBondContact O-N 2.8Å; K614-I617 PolarHBondContact O-N 3.42Å; K614-H618 VanDerWaalsContact O-CB 3.28Å; K614-H618 WeakPolarHBondContact O-CB 3.25Å; K614-H618 PolarHBondContact O-N 3.14Å |
| 615 | D | 98.4 | Very high | 98.3 | Very high | 94 Ų | 94 | 46 Ų | 46 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.5 | -32.8 | -179.1 | -70.4 | -11.9 | 0 | 0 | 0 | 112.7 | T611 V612 G613 R619 | T611-D615 WeakPolarHBondContact O-CB 3.42Å; T611-D615 PolarHBondContact O-N 3.34Å; T611-D615 VanDerWaalsContact O-N 3.15Å; V612-D615 PolarHBondContact O-N 2.99Å; G613-D615 PolarHBondContact O-N 3.35Å; D615-R619 WeakPolarHBondContact O-CG 3.46Å; D615-R619 PolarHBondContact O-N 3.29Å; D615-R619 PolarHBondContact O-NE 3.08Å |
| 616 | A | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.6 | -50.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V577 L578 A581 V612 G613 K614 H618 R619 F620 | V577-A616 HydrophobicContact CG1-CB 4.39Å; L578-A616 HydrophobicContact CD2-CB 4.43Å; A581-A616 HydrophobicContact CB-CB 3.67Å; V612-A616 WeakPolarHBondContact O-CB 3.44Å; V612-A616 PolarHBondContact O-N 3.02Å; G613-A616 PolarHBondContact O-N 2.95Å; K614-A616 VanDerWaalsContact C-N 3.34Å; K614-A616 PolarHBondContact O-N 2.8Å; A616-H618 VanDerWaalsContact C-N 3.33Å; A616-H618 PolarHBondContact O-N 3.35Å; A616-R619 PolarHBondContact O-N 3.14Å; A616-F620 WeakPolarHBondContact O-CB 3.43Å; A616-F620 PolarHBondContact O-N 3.4Å |
| 617 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 177.7 | -63.4 | -59.7 | 0 | 0 | 0 | 111.1 | C512 Y516 W542 I574 L578 G613 K614 R619 F620 L621 | C512-I617 HydrophobicContact CB-CG2 4.08Å; Y516-I617 HydrophobicContact CD2-CG2 4.19Å; W542-I617 HydrophobicContact CH2-CG1 3.76Å; W542-I617 HydrophobicContact CZ3-CG1 4.18Å; I574-I617 HydrophobicContact CG2-CD1 4.17Å; L578-I617 HydrophobicContact CD2-CD1 3.92Å; L578-I617 HydrophobicContact CD2-CG1 4.01Å; L578-I617 HydrophobicContact CG-CD1 4.4Å; G613-I617 WeakPolarHBondContact O-CG1 3.06Å; G613-I617 PolarHBondContact O-N 2.93Å; K614-I617 PolarHBondContact O-N 3.42Å; I617-R619 PolarHBondContact O-N 2.69Å; I617-F620 PolarHBondContact O-N 3.2Å; I617-L621 WeakPolarHBondContact O-CB 3.39Å; I617-L621 PolarHBondContact O-N 3.25Å |
| 618 | H | 98.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 37.3 Ų | 37.3 | 36% | 0.356 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -53.8 | -55.4 | 176 | -176.2 | 112.4 | 0 | 0 | 0 | 111.6 | P357 Y516 K614 A616 F620 C622 | P357-H618 HydrophobicContact CB-CB 4.31Å; P357-H618 VanDerWaalsContact CB-CE1 3.44Å; P357-H618 WeakPolarHBondContact CB-CE1 3.26Å; P357-H618 WeakPolarHBondContact CB-ND1 3.36Å; Y516-H618 HydrophobicContact CE2-CB 3.88Å; Y516-H618 AromaticContact CE2-ND1 3.99Å; Y516-H618 AromaticContact CZ-ND1 3.86Å; Y516-H618 PolarHBondContact OH-ND1 2.99Å; Y516-H618 VanDerWaalsContact OH-ND1 3.13Å; K614-H618 VanDerWaalsContact O-CB 3.28Å; K614-H618 WeakPolarHBondContact O-CB 3.25Å; K614-H618 PolarHBondContact O-N 3.14Å; A616-H618 VanDerWaalsContact C-N 3.33Å; A616-H618 PolarHBondContact O-N 3.35Å; H618-F620 PolarHBondContact O-N 2.92Å; H618-C622 WeakPolarHBondContact O-CB 3.39Å; H618-C622 PolarHBondContact O-N 2.67Å |
| 619 | R | 98.3 | Very high | 98.3 | Very high | 158 Ų | 158 | 34.6 Ų | 34.6 | 60% | 0.596 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -64.3 | -42.4 | -177.9 | -70.6 | -178.7 | -67.8 | 163.5 | 0.5 | 111.9 | D615 A616 I617 K623 | D615-R619 WeakPolarHBondContact O-CG 3.46Å; D615-R619 PolarHBondContact O-N 3.29Å; D615-R619 PolarHBondContact O-NE 3.08Å; A616-R619 PolarHBondContact O-N 3.14Å; I617-R619 PolarHBondContact O-N 2.69Å; R619-K623 PolarHBondContact O-N 3.4Å |
| 620 | F | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.2 | -45.8 | -179.7 | -179.7 | -117.8 | 0 | 0 | 0 | 111.9 | V573 V577 A616 I617 H618 C622 K623 L624 L639 Y643 | V573-F620 HydrophobicContact CG1-CE1 4.04Å; V573-F620 HydrophobicContact CG1-CE2 4.37Å; V573-F620 HydrophobicContact CG1-CZ 3.49Å; V573-F620 VanDerWaalsContact CG1-CZ 3.49Å; V577-F620 HydrophobicContact CG1-CB 3.97Å; V577-F620 HydrophobicContact CG1-CD1 4.37Å; V577-F620 HydrophobicContact CG1-CG 4.12Å; V577-F620 HydrophobicContact CG2-CD1 3.93Å; V577-F620 HydrophobicContact CG2-CD2 3.78Å; V577-F620 HydrophobicContact CG2-CE1 4.02Å; V577-F620 HydrophobicContact CG2-CE2 3.9Å; V577-F620 HydrophobicContact CG2-CG 3.81Å; V577-F620 HydrophobicContact CG2-CZ 4.03Å; A616-F620 WeakPolarHBondContact O-CB 3.43Å; A616-F620 PolarHBondContact O-N 3.4Å; I617-F620 PolarHBondContact O-N 3.2Å; H618-F620 PolarHBondContact O-N 2.92Å; F620-C622 PolarHBondContact O-N 3.46Å; F620-K623 WeakPolarHBondContact O-CB 3.36Å; F620-K623 PolarHBondContact O-N 3.27Å; F620-L624 HydrophobicContact CD1-CD1 3.95Å; F620-L624 HydrophobicContact CD1-CG 4.36Å; F620-L624 HydrophobicContact CE1-CD1 3.48Å; F620-L624 VanDerWaalsContact CE1-CD1 3.48Å; F620-L624 HydrophobicContact CE1-CD2 4.36Å; F620-L624 HydrophobicContact CE1-CG 4.01Å; F620-L624 HydrophobicContact CE2-CD2 4.12Å; F620-L624 HydrophobicContact CE2-CG 4.2Å; F620-L624 HydrophobicContact CZ-CD1 3.8Å; F620-L624 HydrophobicContact CZ-CD2 3.81Å; F620-L624 HydrophobicContact CZ-CG 3.9Å; F620-L624 WeakPolarHBondContact O-CG 3.42Å; F620-L624 PolarHBondContact O-N 3.13Å; F620-L639 HydrophobicContact CD2-CD2 4.33Å; F620-L639 HydrophobicContact CE2-CD1 4.38Å; F620-L639 HydrophobicContact CE2-CD2 3.94Å; F620-L639 HydrophobicContact CE2-CG 4.14Å; F620-Y643 HydrophobicContact CD2-CE2 4.25Å; F620-Y643 AromaticContact CE2-CD2 3.97Å; F620-Y643 HydrophobicContact CE2-CD2 3.97Å; F620-Y643 HydrophobicContact CE2-CE2 4.08Å |
| 621 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.5 | -36.6 | 179.9 | -179.3 | 56.6 | 0 | 0 | 0 | 112.5 | P357 W358 R509 C512 V513 I617 L624 Q625 | P357-L621 HydrophobicContact CG-CB 3.81Å; P357-L621 HydrophobicContact CG-CD2 3.72Å; P357-L621 HydrophobicContact CG-CG 3.72Å; W358-L621 HydrophobicContact CE3-CG 4.33Å; W358-L621 HydrophobicContact CZ3-CD1 3.85Å; W358-L621 HydrophobicContact CZ3-CD2 4.16Å; W358-L621 HydrophobicContact CZ3-CG 3.75Å; R509-L621 HydrophobicContact CG-CD1 3.61Å; C512-L621 HydrophobicContact CB-CB 4.4Å; C512-L621 HydrophobicContact CB-CD1 3.97Å; C512-L621 HydrophobicContact CB-CD2 4.34Å; C512-L621 HydrophobicContact CB-CG 4.47Å; V513-L621 HydrophobicContact CG2-CD1 4.05Å; V513-L621 HydrophobicContact CG2-CD2 3.79Å; I617-L621 WeakPolarHBondContact O-CB 3.39Å; I617-L621 PolarHBondContact O-N 3.25Å; L621-L624 PolarHBondContact O-N 3.48Å; L621-Q625 PolarHBondContact O-N 3.23Å |
| 622 | C | 98.3 | Very high | 98.2 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 9% | 0.088 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.3 | -54.1 | 170.8 | -179.7 | 0 | 0 | 0 | 0 | 111 | P357 E479 H618 F620 L624 Q625 V626 | P357-C622 WeakPolarHBondContact O-CB 3.49Å; P357-C622 PolarHBondContact O-SG 2.99Å; P357-C622 VanDerWaalsContact O-SG 3.39Å; E479-C622 PolarHBondContact OE1-SG 3.23Å; E479-C622 VanDerWaalsContact OE1-SG 3.37Å; H618-C622 WeakPolarHBondContact O-CB 3.39Å; H618-C622 PolarHBondContact O-N 2.67Å; F620-C622 PolarHBondContact O-N 3.46Å; C622-L624 VanDerWaalsContact C-N 3.32Å; C622-L624 PolarHBondContact O-N 3.01Å; C622-Q625 PolarHBondContact O-N 3.17Å; C622-V626 VanDerWaalsContact O-CG2 3.27Å; C622-V626 WeakPolarHBondContact O-CG2 3.36Å; C622-V626 PolarHBondContact O-N 2.92Å |
| 623 | K | 98.4 | Very high | 98.1 | Very high | 70 Ų | 70 | 30.3 Ų | 30.3 | 30% | 0.304 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -57.2 | -44.5 | 177 | -70.9 | 174.6 | 176.7 | -175.6 | 0 | 112.2 | E479 R619 F620 Q625 V626 F627 L639 | E479-K623 HydrophobicContact CG-CG 4.1Å; E479-K623 WeakPolarHBondContact OE2-CE 3.42Å; E479-K623 VanDerWaalsContact OE2-CG 3.25Å; E479-K623 WeakPolarHBondContact OE2-CG 3.4Å; R619-K623 PolarHBondContact O-N 3.4Å; F620-K623 WeakPolarHBondContact O-CB 3.36Å; F620-K623 PolarHBondContact O-N 3.27Å; K623-Q625 VanDerWaalsContact C-N 3.33Å; K623-Q625 PolarHBondContact O-N 2.89Å; K623-V626 PolarHBondContact O-N 3.23Å; K623-F627 HydrophobicContact CB-CE2 4.2Å; K623-F627 WeakPolarHBondContact O-CD2 3.24Å; K623-F627 PolarHBondContact O-N 3.31Å; K623-F627 VanDerWaalsContact O-N 3.11Å; K623-L639 HydrophobicContact CB-CD2 3.87Å; K623-L639 HydrophobicContact CD-CD1 4.26Å |
| 624 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.6 | -49.5 | 179.9 | -74.6 | -178.8 | 0 | 0 | 0 | 111.2 | Y505 R509 F620 L621 C622 K628 L639 Y640 | Y505-L624 HydrophobicContact CD1-CD2 4.16Å; Y505-L624 HydrophobicContact CD2-CD2 4.22Å; Y505-L624 HydrophobicContact CE1-CB 4.03Å; Y505-L624 HydrophobicContact CE1-CD2 3.59Å; Y505-L624 HydrophobicContact CE1-CG 4.37Å; Y505-L624 WeakPolarHBondContact CE1-O 3.22Å; Y505-L624 HydrophobicContact CE2-CD2 3.67Å; Y505-L624 HydrophobicContact CG-CD2 4.45Å; Y505-L624 WeakPolarHBondContact OH-CA 3.05Å; Y505-L624 PolarHBondContact OH-O 3.49Å; R509-L624 HydrophobicContact CB-CD1 4.12Å; R509-L624 HydrophobicContact CG-CB 4.27Å; R509-L624 HydrophobicContact CG-CD1 4.49Å; F620-L624 HydrophobicContact CD1-CD1 3.95Å; F620-L624 HydrophobicContact CD1-CG 4.36Å; F620-L624 HydrophobicContact CE1-CD1 3.48Å; F620-L624 VanDerWaalsContact CE1-CD1 3.48Å; F620-L624 HydrophobicContact CE1-CD2 4.36Å; F620-L624 HydrophobicContact CE1-CG 4.01Å; F620-L624 HydrophobicContact CE2-CD2 4.12Å; F620-L624 HydrophobicContact CE2-CG 4.2Å; F620-L624 HydrophobicContact CZ-CD1 3.8Å; F620-L624 HydrophobicContact CZ-CD2 3.81Å; F620-L624 HydrophobicContact CZ-CG 3.9Å; F620-L624 WeakPolarHBondContact O-CG 3.42Å; F620-L624 PolarHBondContact O-N 3.13Å; L621-L624 PolarHBondContact O-N 3.48Å; C622-L624 VanDerWaalsContact C-N 3.32Å; C622-L624 PolarHBondContact O-N 3.01Å; L624-K628 WeakPolarHBondContact O-CB 3.44Å; L624-K628 PolarHBondContact O-N 2.69Å; L624-L639 HydrophobicContact CD2-CD2 4.06Å; L624-Y640 HydrophobicContact CD2-CD2 4.31Å |
| 625 | Q | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -40.8 | -179.9 | -175.4 | 60.4 | 51.4 | 0 | 0 | 112.1 | W358 R509 L621 C622 K623 K628 S629 | W358-Q625 HydrophobicContact CB-CG 4.28Å; W358-Q625 HydrophobicContact CD2-CB 3.94Å; W358-Q625 HydrophobicContact CD2-CG 3.59Å; W358-Q625 HydrophobicContact CE3-CB 3.46Å; W358-Q625 VanDerWaalsContact CE3-CB 3.46Å; W358-Q625 HydrophobicContact CE3-CG 3.65Å; W358-Q625 HydrophobicContact CG-CB 4.41Å; W358-Q625 HydrophobicContact CG-CG 3.89Å; W358-Q625 HydrophobicContact CH2-CG 4.48Å; W358-Q625 HydrophobicContact CZ2-CG 4.44Å; W358-Q625 HydrophobicContact CZ3-CB 3.87Å; W358-Q625 HydrophobicContact CZ3-CG 4.11Å; R509-Q625 VanDerWaalsContact NH1-OE1 3.15Å; L621-Q625 PolarHBondContact O-N 3.23Å; C622-Q625 PolarHBondContact O-N 3.17Å; K623-Q625 VanDerWaalsContact C-N 3.33Å; K623-Q625 PolarHBondContact O-N 2.89Å; Q625-K628 PolarHBondContact O-N 3.03Å; Q625-S629 PolarHBondContact NE2-OG 3.38Å; Q625-S629 WeakPolarHBondContact O-CB 3.36Å; Q625-S629 PolarHBondContact O-N 3.31Å; Q625-S629 PolarHBondContact O-OG 3.11Å; Q625-S629 VanDerWaalsContact O-OG 3.1Å |
| 626 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.6 | -53.9 | -179.2 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | F362 N477 P478 E479 C622 K623 K628 S629 T630 | F362-V626 HydrophobicContact CD1-CG2 4.27Å; F362-V626 HydrophobicContact CE1-CB 4.19Å; F362-V626 HydrophobicContact CE1-CG1 4.2Å; F362-V626 HydrophobicContact CE1-CG2 3.95Å; F362-V626 HydrophobicContact CZ-CG2 4.42Å; N477-V626 WeakPolarHBondContact OD1-CG1 3.32Å; P478-V626 HydrophobicContact CG-CG2 3.5Å; P478-V626 VanDerWaalsContact CG-CG2 3.5Å; E479-V626 HydrophobicContact CG-CB 4.47Å; E479-V626 HydrophobicContact CG-CG1 4.3Å; E479-V626 HydrophobicContact CG-CG2 4.38Å; C622-V626 VanDerWaalsContact O-CG2 3.27Å; C622-V626 WeakPolarHBondContact O-CG2 3.36Å; C622-V626 PolarHBondContact O-N 2.92Å; K623-V626 PolarHBondContact O-N 3.23Å; V626-K628 VanDerWaalsContact C-N 3.3Å; V626-K628 PolarHBondContact O-N 3.03Å; V626-S629 PolarHBondContact O-N 2.68Å; V626-T630 WeakPolarHBondContact O-CG2 3.45Å; V626-T630 PolarHBondContact O-N 3.3Å; V626-T630 PolarHBondContact O-OG1 2.96Å |
| 627 | F | 98.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 14% | 0.136 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.7 | -37.2 | -179.3 | -62.5 | -48.4 | 0 | 0 | 0 | 112.3 | Y505 K623 A631 D632 L639 | Y505-F627 WeakPolarHBondContact OH-CB 3.25Å; K623-F627 HydrophobicContact CB-CE2 4.2Å; K623-F627 WeakPolarHBondContact O-CD2 3.24Å; K623-F627 PolarHBondContact O-N 3.31Å; K623-F627 VanDerWaalsContact O-N 3.11Å; F627-A631 PolarHBondContact O-N 3.44Å; F627-D632 HydrophobicContact CB-CB 4.43Å; F627-D632 HydrophobicContact CD1-CB 3.93Å; F627-D632 WeakPolarHBondContact CD1-OD2 3.32Å; F627-D632 PolarHBondContact O-N 3.33Å; F627-L639 HydrophobicContact CD2-CD2 4.07Å; F627-L639 HydrophobicContact CE2-CB 4.11Å; F627-L639 HydrophobicContact CE2-CD2 3.92Å |
| 628 | K | 97.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -52.2 | 173 | 172.7 | 172.5 | -176.1 | -173.4 | 0 | 111 | L459 Y488 W494 Y505 E506 L624 Q625 V626 T630 A631 | L459-K628 HydrophobicContact CD2-CD 4.38Å; L459-K628 HydrophobicContact CD2-CG 3.72Å; Y488-K628 VanDerWaalsContact CE2-O 3.28Å; Y488-K628 WeakPolarHBondContact CE2-O 3.46Å; Y488-K628 PolarHBondContact OH-O 3.27Å; Y488-K628 VanDerWaalsContact OH-O 3.06Å; W494-K628 HydrophobicContact CE3-CD 4.23Å; W494-K628 HydrophobicContact CE3-CG 3.8Å; W494-K628 HydrophobicContact CH2-CB 4.29Å; W494-K628 HydrophobicContact CH2-CD 4.38Å; W494-K628 HydrophobicContact CH2-CG 4.24Å; W494-K628 HydrophobicContact CZ3-CB 3.79Å; W494-K628 HydrophobicContact CZ3-CD 4.08Å; W494-K628 HydrophobicContact CZ3-CG 3.55Å; Y505-K628 HydrophobicContact CE1-CB 4.41Å; E506-K628 IonicContact OE1-NZ 2.67Å; E506-K628 PolarHBondContact OE1-NZ 3.23Å; E506-K628 IonicContact OE2-NZ 3.72Å; E506-K628 PolarHBondContact OE2-NZ 2.98Å; L624-K628 WeakPolarHBondContact O-CB 3.44Å; L624-K628 PolarHBondContact O-N 2.69Å; Q625-K628 PolarHBondContact O-N 3.03Å; V626-K628 VanDerWaalsContact C-N 3.3Å; V626-K628 PolarHBondContact O-N 3.03Å; K628-T630 VanDerWaalsContact C-N 3.31Å; K628-T630 PolarHBondContact O-N 3.24Å; K628-A631 PolarHBondContact O-N 3.22Å |
| 629 | S | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -40 | -177.7 | -70.5 | 0 | 0 | 0 | 0 | 112.8 | F362 K458 F460 Q625 V626 | F362-S629 VanDerWaalsContact CD1-CB 3.46Å; F362-S629 WeakPolarHBondContact CD1-OG 3.3Å; K458-S629 WeakPolarHBondContact O-CA 3.36Å; K458-S629 WeakPolarHBondContact O-CB 3.32Å; K458-S629 PolarHBondContact O-OG 3.45Å; F460-S629 VanDerWaalsContact CB-O 3.27Å; F460-S629 WeakPolarHBondContact CB-O 3.49Å; F460-S629 PolarHBondContact N-O 3.29Å; Q625-S629 PolarHBondContact NE2-OG 3.38Å; Q625-S629 WeakPolarHBondContact O-CB 3.36Å; Q625-S629 PolarHBondContact O-N 3.31Å; Q625-S629 PolarHBondContact O-OG 3.11Å; Q625-S629 VanDerWaalsContact O-OG 3.1Å; V626-S629 PolarHBondContact O-N 2.68Å |
| 630 | T | 97.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 5.3 | -175.1 | 62.5 | 0 | 0 | 0 | 0 | 113.9 | F362 F460 V484 S486 W487 V626 K628 D632 | F362-T630 HydrophobicContact CE1-CG2 4.13Å; F362-T630 HydrophobicContact CZ-CG2 4.46Å; F460-T630 HydrophobicContact CD2-CG2 3.99Å; F460-T630 HydrophobicContact CE2-CG2 4.07Å; V484-T630 HydrophobicContact CG1-CG2 3.91Å; V484-T630 HydrophobicContact CG2-CG2 4.14Å; S486-T630 CarbonylContact C-O 3.59Å; S486-T630 WeakPolarHBondContact CB-O 3.04Å; S486-T630 VanDerWaalsContact O-O 3.08Å; S486-T630 PolarHBondContact OG-O 3.4Å; W487-T630 PolarHBondContact N-O 2.89Å; V626-T630 WeakPolarHBondContact O-CG2 3.45Å; V626-T630 PolarHBondContact O-N 3.3Å; V626-T630 PolarHBondContact O-OG1 2.96Å; K628-T630 VanDerWaalsContact C-N 3.31Å; K628-T630 PolarHBondContact O-N 3.24Å; T630-D632 PolarHBondContact O-N 2.82Å; T630-D632 WeakPolarHBondContact OG1-CB 3.45Å |
| 631 | A | 96.9 | Very high | 97.6 | Very high | 14 Ų | 14 | 30.6 Ų | 30.6 | 12% | 0.116 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 31.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y488 F627 K628 V633 | Y488-A631 HydrophobicContact CD1-CB 4.21Å; Y488-A631 HydrophobicContact CD2-CB 3.72Å; Y488-A631 HydrophobicContact CE1-CB 4.11Å; Y488-A631 HydrophobicContact CE2-CB 3.59Å; Y488-A631 HydrophobicContact CG-CB 4Å; F627-A631 PolarHBondContact O-N 3.44Å; K628-A631 PolarHBondContact O-N 3.22Å; A631-V633 PolarHBondContact O-N 3.21Å; A631-V633 VanDerWaalsContact O-N 3.08Å |
| 632 | D | 96.8 | Very high | 97.5 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | trans | -83.8 | 83.6 | 179.9 | -177 | 0.9 | 0 | 0 | 0 | 110.1 | F627 T630 E634 G635 G636 | F627-D632 HydrophobicContact CB-CB 4.43Å; F627-D632 HydrophobicContact CD1-CB 3.93Å; F627-D632 WeakPolarHBondContact CD1-OD2 3.32Å; F627-D632 PolarHBondContact O-N 3.33Å; T630-D632 PolarHBondContact O-N 2.82Å; T630-D632 WeakPolarHBondContact OG1-CB 3.45Å; D632-E634 VanDerWaalsContact C-N 3.35Å; D632-E634 PolarHBondContact OD1-N 3.15Å; D632-G635 PolarHBondContact OD1-N 2.78Å; D632-G636 PolarHBondContact O-N 2.93Å | ||
| 633 | V | 95.9 | Very high | 97.5 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 21% | 0.212 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.6 | -36.5 | -177.8 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | K497 F498 A631 R637 | K497-V633 HydrophobicContact CB-CG2 4.16Å; K497-V633 WeakPolarHBondContact O-CG2 3.37Å; F498-V633 HydrophobicContact CD2-CG2 4.08Å; F498-V633 HydrophobicContact CE2-CG2 3.95Å; F498-V633 HydrophobicContact CZ-CG2 4.28Å; A631-V633 PolarHBondContact O-N 3.21Å; A631-V633 VanDerWaalsContact O-N 3.08Å; V633-R637 HydrophobicContact CG1-CG 4.26Å; V633-R637 VanDerWaalsContact O-CB 3.26Å; V633-R637 WeakPolarHBondContact O-CB 3.43Å; V633-R637 VanDerWaalsContact O-CG 3.25Å; V633-R637 WeakPolarHBondContact O-CG 3.31Å; V633-R637 PolarHBondContact O-N 3.47Å |
| 634 | E | 96.7 | Very high | 97.4 | Very high | 169 Ų | 169 | 30.9 Ų | 30.9 | 79% | 0.79 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -68.2 | -50.5 | -178.5 | -172.3 | 179.2 | 170.4 | 0 | 0 | 110.7 | D632 R637 A638 | D632-E634 VanDerWaalsContact C-N 3.35Å; D632-E634 PolarHBondContact OD1-N 3.15Å; E634-R637 PolarHBondContact O-N 2.82Å; E634-A638 WeakPolarHBondContact O-CB 3.41Å; E634-A638 PolarHBondContact O-N 2.7Å |
| 635 | G | 97 | Very high | 97.3 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D632 A638 L639 | D632-G635 PolarHBondContact OD1-N 2.78Å; G635-A638 PolarHBondContact O-N 3.38Å; G635-L639 PolarHBondContact O-N 3.25Å |
| 636 | G | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | D632 Y640 | D632-G636 PolarHBondContact O-N 2.93Å; G636-Y640 VanDerWaalsContact O-CB 3.24Å; G636-Y640 WeakPolarHBondContact O-CB 3.4Å; G636-Y640 PolarHBondContact O-N 2.67Å |
| 637 | R | 97.3 | Very high | 97 | Very high | 50 Ų | 50 | 36.1 Ų | 36.1 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.1 | -47.4 | 175.3 | -78 | -177.9 | 178.7 | -76.8 | -2 | 111.8 | F498 S499 T500 I501 V633 E634 L639 Y640 E641 | F498-R637 PolarHBondContact O-NH2 3.42Å; S499-R637 PolarHBondContact OG-NH2 2.92Å; T500-R637 PolarHBondContact OG1-NH1 3.41Å; T500-R637 PolarHBondContact OG1-NH2 3.16Å; I501-R637 HydrophobicContact CD1-CB 4.39Å; I501-R637 HydrophobicContact CD1-CG 3.49Å; I501-R637 VanDerWaalsContact CD1-CG 3.49Å; I501-R637 HydrophobicContact CG1-CG 4.24Å; V633-R637 HydrophobicContact CG1-CG 4.26Å; V633-R637 VanDerWaalsContact O-CB 3.26Å; V633-R637 WeakPolarHBondContact O-CB 3.43Å; V633-R637 VanDerWaalsContact O-CG 3.25Å; V633-R637 WeakPolarHBondContact O-CG 3.31Å; V633-R637 PolarHBondContact O-N 3.47Å; E634-R637 PolarHBondContact O-N 2.82Å; R637-L639 VanDerWaalsContact C-N 3.29Å; R637-L639 PolarHBondContact O-N 3.24Å; R637-Y640 PolarHBondContact O-N 2.92Å; R637-E641 IonicContact CZ-OE1 3.81Å; R637-E641 IonicContact NH1-OE1 3.49Å; R637-E641 PolarHBondContact NH1-OE1 3.34Å; R637-E641 WeakPolarHBondContact O-CB 3.15Å; R637-E641 WeakPolarHBondContact O-CG 3.1Å; R637-E641 PolarHBondContact O-N 3.15Å |
| 638 | A | 98 | Very high | 96.7 | Very high | 73 Ų | 73 | 39.4 Ų | 39.4 | 60% | 0.603 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -56.7 | -43.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E634 G635 G642 | E634-A638 WeakPolarHBondContact O-CB 3.41Å; E634-A638 PolarHBondContact O-N 2.7Å; G635-A638 PolarHBondContact O-N 3.38Å; A638-G642 PolarHBondContact O-N 2.85Å |
| 639 | L | 98.1 | Very high | 96 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -55.5 | 174.7 | -179.6 | 73.7 | 0 | 0 | 0 | 111.6 | F620 K623 L624 F627 G635 R637 G642 Y643 | F620-L639 HydrophobicContact CD2-CD2 4.33Å; F620-L639 HydrophobicContact CE2-CD1 4.38Å; F620-L639 HydrophobicContact CE2-CD2 3.94Å; F620-L639 HydrophobicContact CE2-CG 4.14Å; K623-L639 HydrophobicContact CB-CD2 3.87Å; K623-L639 HydrophobicContact CD-CD1 4.26Å; L624-L639 HydrophobicContact CD2-CD2 4.06Å; F627-L639 HydrophobicContact CD2-CD2 4.07Å; F627-L639 HydrophobicContact CE2-CB 4.11Å; F627-L639 HydrophobicContact CE2-CD2 3.92Å; G635-L639 PolarHBondContact O-N 3.25Å; R637-L639 VanDerWaalsContact C-N 3.29Å; R637-L639 PolarHBondContact O-N 3.24Å; L639-G642 PolarHBondContact O-N 3.22Å; L639-Y643 HydrophobicContact CD1-CD2 4.27Å; L639-Y643 HydrophobicContact CD1-CE2 3.79Å; L639-Y643 WeakPolarHBondContact O-CD2 3Å; L639-Y643 PolarHBondContact O-N 3.17Å |
| 640 | Y | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.4 | -40.4 | -167 | -162.5 | -104.7 | 0 | 0 | 0 | 113 | I501 S504 Y505 C508 Q569 A570 V573 L624 G636 R637 G642 Y643 S644 | I501-Y640 HydrophobicContact CB-CD1 4.43Å; S504-Y640 PolarHBondContact O-OH 3.5Å; S504-Y640 WeakPolarHBondContact OG-CE1 3.36Å; S504-Y640 PolarHBondContact OG-OH 2.97Å; Y505-Y640 HydrophobicContact CD2-CD1 4.31Å; Y505-Y640 AromaticContact CD2-CD2 3.7Å; Y505-Y640 HydrophobicContact CD2-CD2 3.7Å; Y505-Y640 HydrophobicContact CD2-CE2 4.43Å; Y505-Y640 AromaticContact CD2-CG 3.64Å; Y505-Y640 HydrophobicContact CD2-CG 3.64Å; Y505-Y640 HydrophobicContact CE2-CD2 4.3Å; Y505-Y640 HydrophobicContact CE2-CG 4.35Å; Y505-Y640 HydrophobicContact CG-CD2 4.22Å; Y505-Y640 HydrophobicContact CG-CG 4.41Å; C508-Y640 HydrophobicContact CB-CE2 3.58Å; Q569-Y640 HydrophobicContact CG-CE1 4.34Å; A570-Y640 VanDerWaalsContact CA-OH 3.3Å; A570-Y640 WeakPolarHBondContact CA-OH 3.28Å; V573-Y640 HydrophobicContact CB-CE2 4.24Å; V573-Y640 HydrophobicContact CG1-CD2 4.25Å; V573-Y640 HydrophobicContact CG1-CE2 3.92Å; V573-Y640 HydrophobicContact CG2-CD2 4.44Å; V573-Y640 HydrophobicContact CG2-CE1 4.46Å; V573-Y640 HydrophobicContact CG2-CE2 3.95Å; L624-Y640 HydrophobicContact CD2-CD2 4.31Å; G636-Y640 VanDerWaalsContact O-CB 3.24Å; G636-Y640 WeakPolarHBondContact O-CB 3.4Å; G636-Y640 PolarHBondContact O-N 2.67Å; R637-Y640 PolarHBondContact O-N 2.92Å; Y640-G642 VanDerWaalsContact C-N 3.3Å; Y640-Y643 PolarHBondContact O-N 3.13Å; Y640-S644 VanDerWaalsContact O-CB 3.3Å; Y640-S644 WeakPolarHBondContact O-CB 3.14Å; Y640-S644 PolarHBondContact O-N 2.87Å; Y640-S644 PolarHBondContact O-OG 2.95Å |
| 641 | E | 96.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 52.2 Ų | 52.2 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.5 | -32.3 | 175.2 | -63.4 | 177.2 | -176.7 | 0 | 0 | 111.1 | R637 S644 T645 | R637-E641 IonicContact CZ-OE1 3.81Å; R637-E641 IonicContact NH1-OE1 3.49Å; R637-E641 PolarHBondContact NH1-OE1 3.34Å; R637-E641 WeakPolarHBondContact O-CB 3.15Å; R637-E641 WeakPolarHBondContact O-CG 3.1Å; R637-E641 PolarHBondContact O-N 3.15Å; E641-S644 WeakPolarHBondContact CA-OG 3.26Å; E641-S644 PolarHBondContact O-N 3.09Å; E641-T645 PolarHBondContact O-N 3.38Å; E641-T645 PolarHBondContact O-OG1 3.09Å |
| 642 | G | 96.1 | Very high | 94.7 | Very high | 43 Ų | 43 | 54 Ų | 54 | 44% | 0.443 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.8 | -49.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | A638 L639 Y640 | A638-G642 PolarHBondContact O-N 2.85Å; L639-G642 PolarHBondContact O-N 3.22Å; Y640-G642 VanDerWaalsContact C-N 3.3Å |
| 643 | Y | 97.8 | Very high | 94.6 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 15% | 0.153 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -77.9 | -30 | 177.7 | -72.7 | -71.7 | 0 | 0 | 0 | 113.6 | R576 V577 E580 F620 L639 Y640 T645 | R576-Y643 HydrophobicContact CB-CD1 4.02Å; R576-Y643 WeakPolarHBondContact CG-O 3.5Å; V577-Y643 HydrophobicContact CG2-CD1 3.87Å; V577-Y643 HydrophobicContact CG2-CD2 4.15Å; V577-Y643 HydrophobicContact CG2-CE1 3.84Å; V577-Y643 HydrophobicContact CG2-CE2 4.11Å; V577-Y643 HydrophobicContact CG2-CG 4.03Å; E580-Y643 WeakPolarHBondContact OE2-CE1 3.26Å; E580-Y643 PolarHBondContact OE2-OH 3.23Å; F620-Y643 HydrophobicContact CD2-CE2 4.25Å; F620-Y643 AromaticContact CE2-CD2 3.97Å; F620-Y643 HydrophobicContact CE2-CD2 3.97Å; F620-Y643 HydrophobicContact CE2-CE2 4.08Å; L639-Y643 HydrophobicContact CD1-CD2 4.27Å; L639-Y643 HydrophobicContact CD1-CE2 3.79Å; L639-Y643 WeakPolarHBondContact O-CD2 3Å; L639-Y643 PolarHBondContact O-N 3.17Å; Y640-Y643 PolarHBondContact O-N 3.13Å; Y643-T645 VanDerWaalsContact C-N 3.27Å; Y643-T645 PolarHBondContact O-N 3.07Å |
| 644 | S | 97.3 | Very high | 94.7 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -81.9 | -3.2 | 180 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | W563 Q569 V573 Y640 E641 V646 | W563-S644 PolarHBondContact NE1-O 3.49Å; Q569-S644 PolarHBondContact NE2-OG 2.81Å; V573-S644 VanDerWaalsContact CG2-CB 3.5Å; Y640-S644 VanDerWaalsContact O-CB 3.3Å; Y640-S644 WeakPolarHBondContact O-CB 3.14Å; Y640-S644 PolarHBondContact O-N 2.87Å; Y640-S644 PolarHBondContact O-OG 2.95Å; E641-S644 WeakPolarHBondContact CA-OG 3.26Å; E641-S644 PolarHBondContact O-N 3.09Å; S644-V646 PolarHBondContact O-N 3.39Å |
| 645 | T | 96.4 | Very high | 94.7 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | trans | -64.7 | 127.3 | 174.8 | -68.5 | 0 | 0 | 0 | 0 | 111.2 | E641 Y643 | E641-T645 PolarHBondContact O-N 3.38Å; E641-T645 PolarHBondContact O-OG1 3.09Å; Y643-T645 VanDerWaalsContact C-N 3.27Å; Y643-T645 PolarHBondContact O-N 3.07Å | ||
| 646 | V | 96.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | trans | -105.7 | 115.8 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | L553 Y556 W563 F572 S644 F654 L655 | L553-V646 HydrophobicContact CD2-CG1 3.83Å; L553-V646 HydrophobicContact CD2-CG2 4.12Å; Y556-V646 HydrophobicContact CD1-CB 3.84Å; Y556-V646 HydrophobicContact CD1-CG1 3.96Å; Y556-V646 HydrophobicContact CD1-CG2 3.94Å; Y556-V646 HydrophobicContact CD2-CB 4.35Å; Y556-V646 HydrophobicContact CD2-CG2 3.78Å; Y556-V646 HydrophobicContact CE1-CB 3.61Å; Y556-V646 HydrophobicContact CE1-CG1 4Å; Y556-V646 HydrophobicContact CE1-CG2 4.09Å; Y556-V646 HydrophobicContact CE2-CB 4.15Å; Y556-V646 HydrophobicContact CE2-CG2 3.95Å; Y556-V646 HydrophobicContact CG-CB 4.2Å; Y556-V646 HydrophobicContact CG-CG2 3.76Å; W563-V646 HydrophobicContact CH2-CG2 4.24Å; W563-V646 HydrophobicContact CZ2-CG2 3.39Å; F572-V646 HydrophobicContact CE1-CG2 3.95Å; F572-V646 HydrophobicContact CZ-CG2 4.04Å; S644-V646 PolarHBondContact O-N 3.39Å; V646-F654 HydrophobicContact CG1-CB 3.81Å; V646-L655 HydrophobicContact CG1-CD2 3.79Å; V646-L655 HydrophobicContact CG1-CG 4.32Å | ||
| 647 | G | 93.3 | Very high | 94.6 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | trans | -133 | 168.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F654 L655 | G647-F654 PolarHBondContact O-N 3.01Å; G647-L655 PolarHBondContact O-N 3.46Å | ||
| 648 | D | 91.5 | Very high | 94.6 | Very high | 99 Ų | 99 | 50.3 Ų | 50.3 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -96.2 | -2.9 | 172.1 | 56.8 | -5.5 | 0 | 0 | 0 | 113.1 | N653 L655 | D648-N653 WeakPolarHBondContact CA-OD1 3.11Å; D648-L655 HydrophobicContact CB-CB 4.43Å; D648-L655 HydrophobicContact CB-CD1 4.05Å |
| 649 | T | 82.1 | Confident | 94.4 | Very high | 113 Ų | 113 | 53.1 Ų | 53.1 | 69% | 0.693 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -104.9 | 148.4 | 179.4 | 56 | 0 | 0 | 0 | 0 | 111.6 | ||
| 650 | G | 84.4 | Confident | 94.3 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 75% | 0.753 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 111.9 | -159.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | H652 | G650-H652 VanDerWaalsContact C-N 3.29Å; G650-H652 PolarHBondContact O-N 3.18Å |
| 651 | A | 86.8 | Confident | 94.2 | Very high | 96 Ų | 96 | 52.2 Ų | 52.2 | 79% | 0.793 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -68.8 | -26.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 652 | H | 93.7 | Very high | 94 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -135.3 | 138.2 | 178.6 | -54.8 | -75.2 | 0 | 0 | 0 | 110.2 | L588 G650 F654 L657 | L588-H652 PolarHBondContact O-CE1 3.03Å; L588-H652 PolarHBondContact O-ND1 3.4Å; G650-H652 VanDerWaalsContact C-N 3.29Å; G650-H652 PolarHBondContact O-N 3.18Å; H652-F654 HydrophobicContact CB-CD2 4.14Å; H652-F654 HydrophobicContact CB-CE1 4.44Å; H652-F654 HydrophobicContact CB-CE2 3.66Å; H652-F654 HydrophobicContact CB-CZ 3.86Å; H652-F654 PolarHBondContact O-N 2.94Å; H652-L657 HydrophobicContact CB-CD1 4.36Å |
| 653 | N | 96.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 23% | 0.225 | 30% | 0.297 | C | S | . | . | trans | -86.9 | 90.2 | 173.2 | -174.4 | -25.3 | 0 | 0 | 0 | 109.4 | D648 L655 R656 L657 | D648-N653 WeakPolarHBondContact CA-OD1 3.11Å; N653-L655 VanDerWaalsContact C-N 3.29Å; N653-L655 PolarHBondContact O-N 3.41Å; N653-L655 PolarHBondContact OD1-N 3.26Å; N653-R656 HydrophobicContact CB-CB 4.14Å; N653-R656 PolarHBondContact O-N 3.44Å; N653-R656 WeakPolarHBondContact OD1-CB 3.33Å; N653-R656 PolarHBondContact OD1-N 2.87Å; N653-L657 PolarHBondContact O-N 3.2Å | ||
| 654 | F | 97.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.4 | -24.7 | -176.7 | -72.3 | -76.4 | 0 | 0 | 0 | 113.1 | L553 F572 R576 L579 L588 V646 G647 H652 L657 R658 | L553-F654 HydrophobicContact CD1-CD1 4.17Å; L553-F654 HydrophobicContact CD2-CB 4.28Å; F572-F654 AromaticContact CE2-CD1 3.6Å; F572-F654 HydrophobicContact CE2-CD1 3.6Å; F572-F654 AromaticContact CE2-CE1 3.82Å; F572-F654 HydrophobicContact CE2-CE1 3.82Å; F572-F654 HydrophobicContact CE2-CG 4.1Å; F572-F654 HydrophobicContact CZ-CD1 4.04Å; F572-F654 HydrophobicContact CZ-CD2 4.46Å; F572-F654 HydrophobicContact CZ-CE1 4.34Å; F572-F654 HydrophobicContact CZ-CG 4.08Å; R576-F654 VanDerWaalsContact NH1-CD2 3.28Å; L579-F654 HydrophobicContact CD1-CE1 4.48Å; L579-F654 HydrophobicContact CD1-CZ 3.83Å; L588-F654 HydrophobicContact CD2-CE1 3.69Å; L588-F654 HydrophobicContact CD2-CZ 4.12Å; V646-F654 HydrophobicContact CG1-CB 3.81Å; G647-F654 PolarHBondContact O-N 3.01Å; H652-F654 HydrophobicContact CB-CD2 4.14Å; H652-F654 HydrophobicContact CB-CE1 4.44Å; H652-F654 HydrophobicContact CB-CE2 3.66Å; H652-F654 HydrophobicContact CB-CZ 3.86Å; H652-F654 PolarHBondContact O-N 2.94Å; F654-L657 HydrophobicContact CD1-CD1 4.06Å; F654-L657 HydrophobicContact CE1-CD1 4.34Å; F654-R658 WeakPolarHBondContact O-CB 3.22Å; F654-R658 PolarHBondContact O-N 3.29Å |
| 655 | L | 96.5 | Very high | 93.1 | Very high | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 173.1 | -69.1 | 178.1 | 0 | 0 | 0 | 111.8 | Y556 P558 V646 G647 D648 N653 R658 E659 | Y556-L655 HydrophobicContact CE1-CD2 4.17Å; P558-L655 HydrophobicContact CB-CD2 4.38Å; P558-L655 HydrophobicContact CG-CD2 4.27Å; V646-L655 HydrophobicContact CG1-CD2 3.79Å; V646-L655 HydrophobicContact CG1-CG 4.32Å; G647-L655 PolarHBondContact O-N 3.46Å; D648-L655 HydrophobicContact CB-CB 4.43Å; D648-L655 HydrophobicContact CB-CD1 4.05Å; N653-L655 VanDerWaalsContact C-N 3.29Å; N653-L655 PolarHBondContact O-N 3.41Å; N653-L655 PolarHBondContact OD1-N 3.26Å; L655-R658 WeakPolarHBondContact O-CB 3.48Å; L655-R658 PolarHBondContact O-N 3.12Å; L655-E659 PolarHBondContact O-N 2.97Å |
| 656 | R | 95.5 | Very high | 92.6 | Very high | 120 Ų | 120 | 53.3 Ų | 53.3 | 45% | 0.453 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.3 | -40.2 | 173.9 | -173.2 | 171.9 | 64.9 | -172.8 | 1.9 | 112.4 | E590 N653 R658 E659 T660 | E590-R656 VanDerWaalsContact CD-NE 3.34Å; E590-R656 VanDerWaalsContact CD-NH2 3.27Å; E590-R656 IonicContact OE1-CZ 3.6Å; E590-R656 IonicContact OE1-NE 3Å; E590-R656 PolarHBondContact OE1-NE 3.29Å; E590-R656 IonicContact OE1-NH2 2.75Å; E590-R656 PolarHBondContact OE1-NH2 2.83Å; E590-R656 IonicContact OE2-CZ 2.82Å; E590-R656 VanDerWaalsContact OE2-CZ 3.22Å; E590-R656 IonicContact OE2-NE 2.76Å; E590-R656 PolarHBondContact OE2-NE 2.91Å; E590-R656 IonicContact OE2-NH2 3.5Å; E590-R656 PolarHBondContact OE2-NH2 2.83Å; N653-R656 HydrophobicContact CB-CB 4.14Å; N653-R656 PolarHBondContact O-N 3.44Å; N653-R656 WeakPolarHBondContact OD1-CB 3.33Å; N653-R656 PolarHBondContact OD1-N 2.87Å; R656-R658 PolarHBondContact O-N 3.05Å; R656-E659 WeakPolarHBondContact O-CB 3.4Å; R656-E659 PolarHBondContact O-N 2.95Å; R656-E659 VanDerWaalsContact O-N 3.13Å; R656-T660 PolarHBondContact O-N 3.46Å |
| 657 | L | 97 | Very high | 92.1 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.6 | -35 | 172.7 | -78.3 | 165.9 | 0 | 0 | 0 | 111.7 | L550 L553 L588 E590 A600 H652 N653 F654 E659 T660 V661 | L550-L657 HydrophobicContact CD1-CB 4.18Å; L550-L657 HydrophobicContact CD1-CD1 4.38Å; L550-L657 HydrophobicContact CD1-CD2 4.35Å; L553-L657 HydrophobicContact CD1-CB 3.95Å; L588-L657 HydrophobicContact CD1-CD1 4.4Å; L588-L657 HydrophobicContact CD1-CD2 4.45Å; L588-L657 HydrophobicContact CD2-CD1 3.72Å; L588-L657 HydrophobicContact CG-CD1 4.1Å; E590-L657 HydrophobicContact CG-CD2 3.52Å; E590-L657 HydrophobicContact CG-CG 4.1Å; A600-L657 HydrophobicContact CB-CD2 3.84Å; H652-L657 HydrophobicContact CB-CD1 4.36Å; N653-L657 PolarHBondContact O-N 3.2Å; F654-L657 HydrophobicContact CD1-CD1 4.06Å; F654-L657 HydrophobicContact CE1-CD1 4.34Å; L657-E659 VanDerWaalsContact C-N 3.33Å; L657-E659 PolarHBondContact O-N 3.03Å; L657-T660 CarbonylContact O-C 3.53Å; L657-T660 WeakPolarHBondContact O-CB 3.33Å; L657-T660 PolarHBondContact O-N 2.76Å; L657-T660 VanDerWaalsContact O-N 3.16Å; L657-V661 WeakPolarHBondContact O-CG2 3.33Å; L657-V661 PolarHBondContact O-N 3.28Å |
| 658 | R | 96.4 | Very high | 91.8 | Very high | 25 Ų | 25 | 59.9 Ų | 59.9 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 173.4 | 178.8 | 179 | 177.5 | -76.3 | -4.8 | 111.9 | L553 Y556 F654 L655 R656 T660 V661 L662 | L553-R658 HydrophobicContact CB-CB 3.89Å; L553-R658 HydrophobicContact CB-CG 4.04Å; L553-R658 HydrophobicContact CD1-CB 4.28Å; L553-R658 WeakPolarHBondContact O-CD 3.45Å; L553-R658 WeakPolarHBondContact O-CG 3.34Å; L553-R658 PolarHBondContact O-NE 3.27Å; Y556-R658 VanDerWaalsContact O-CZ 3.27Å; Y556-R658 PolarHBondContact O-NE 2.97Å; Y556-R658 PolarHBondContact O-NH2 3.33Å; F654-R658 WeakPolarHBondContact O-CB 3.22Å; F654-R658 PolarHBondContact O-N 3.29Å; L655-R658 WeakPolarHBondContact O-CB 3.48Å; L655-R658 PolarHBondContact O-N 3.12Å; R656-R658 PolarHBondContact O-N 3.05Å; R658-T660 VanDerWaalsContact C-N 3.26Å; R658-T660 PolarHBondContact O-N 3Å; R658-V661 PolarHBondContact O-N 2.74Å; R658-L662 HydrophobicContact CG-CD1 4.36Å; R658-L662 HydrophobicContact CG-CG 4.47Å; R658-L662 VanDerWaalsContact NH1-CD1 3.34Å; R658-L662 WeakPolarHBondContact O-CG 3.18Å; R658-L662 PolarHBondContact O-N 3.05Å |
| 659 | E | 94.9 | Very high | 91.8 | Very high | 133 Ų | 133 | 58.1 Ų | 58.1 | 62% | 0.621 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.2 | -41.2 | 175.8 | -62.1 | 174.7 | 177.1 | 0 | 0 | 111.2 | L655 R656 L657 L662 L663 | L655-E659 PolarHBondContact O-N 2.97Å; R656-E659 WeakPolarHBondContact O-CB 3.4Å; R656-E659 PolarHBondContact O-N 2.95Å; R656-E659 VanDerWaalsContact O-N 3.13Å; L657-E659 VanDerWaalsContact C-N 3.33Å; L657-E659 PolarHBondContact O-N 3.03Å; E659-L662 PolarHBondContact O-N 2.95Å; E659-L663 WeakPolarHBondContact O-CB 3.42Å; E659-L663 PolarHBondContact O-N 2.94Å |
| 660 | T | 96 | Very high | 92.4 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | F425 P598 D599 R656 L657 R658 L662 L663 R664 | F425-T660 HydrophobicContact CE1-CG2 4.11Å; P598-T660 HydrophobicContact CB-CG2 4.4Å; D599-T660 VanDerWaalsContact CA-CG2 3.44Å; R656-T660 PolarHBondContact O-N 3.46Å; L657-T660 CarbonylContact O-C 3.53Å; L657-T660 WeakPolarHBondContact O-CB 3.33Å; L657-T660 PolarHBondContact O-N 2.76Å; L657-T660 VanDerWaalsContact O-N 3.16Å; R658-T660 VanDerWaalsContact C-N 3.26Å; R658-T660 PolarHBondContact O-N 3Å; T660-L662 PolarHBondContact O-N 2.75Å; T660-L663 WeakPolarHBondContact O-CB 3.32Å; T660-L663 PolarHBondContact O-N 3.23Å; T660-R664 HydrophobicContact CG2-CG 4.44Å; T660-R664 WeakPolarHBondContact O-CB 3.47Å; T660-R664 VanDerWaalsContact O-CG 3.26Å; T660-R664 WeakPolarHBondContact O-CG 3.38Å; T660-R664 PolarHBondContact O-N 3.29Å |
| 661 | V | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 174.8 | 169.2 | 0 | 0 | 0 | 0 | 111 | F425 L550 L553 E554 L657 R658 L663 R664 K665 | F425-V661 HydrophobicContact CE2-CG2 3.98Å; F425-V661 HydrophobicContact CZ-CG2 4.05Å; L550-V661 HydrophobicContact CD1-CG2 4.01Å; L550-V661 HydrophobicContact CG-CG2 3.91Å; L550-V661 WeakPolarHBondContact O-CG2 3.38Å; L553-V661 HydrophobicContact CD1-CG2 4.43Å; E554-V661 HydrophobicContact CB-CG1 4.08Å; L657-V661 WeakPolarHBondContact O-CG2 3.33Å; L657-V661 PolarHBondContact O-N 3.28Å; R658-V661 PolarHBondContact O-N 2.74Å; V661-L663 VanDerWaalsContact C-N 3.32Å; V661-L663 PolarHBondContact O-N 3.1Å; V661-R664 CarbonylContact O-C 3.59Å; V661-R664 PolarHBondContact O-N 3.35Å; V661-K665 WeakPolarHBondContact O-CA 3.43Å; V661-K665 WeakPolarHBondContact O-CB 3.43Å; V661-K665 PolarHBondContact O-N 2.95Å |
| 662 | L | 92.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -36.4 | 177.3 | -70.4 | 178.2 | 0 | 0 | 0 | 112.7 | Q5 E554 R658 E659 T660 R664 K665 | Q5-L662 HydrophobicContact CG-CD2 4.02Å; E554-L662 HydrophobicContact CB-CD2 4.17Å; E554-L662 HydrophobicContact CG-CD2 3.9Å; R658-L662 HydrophobicContact CG-CD1 4.36Å; R658-L662 HydrophobicContact CG-CG 4.47Å; R658-L662 VanDerWaalsContact NH1-CD1 3.34Å; R658-L662 WeakPolarHBondContact O-CG 3.18Å; R658-L662 PolarHBondContact O-N 3.05Å; E659-L662 PolarHBondContact O-N 2.95Å; T660-L662 PolarHBondContact O-N 2.75Å; L662-R664 VanDerWaalsContact C-N 3.29Å; L662-R664 PolarHBondContact O-N 3.3Å; L662-K665 HydrophobicContact CD2-CD 4.16Å; L662-K665 WeakPolarHBondContact O-CD 3.4Å; L662-K665 VanDerWaalsContact O-CG 3.27Å; L662-K665 WeakPolarHBondContact O-CG 3.46Å |
| 663 | L | 92.3 | Very high | 93.7 | Very high | 89 Ų | 89 | 45.1 Ų | 45.1 | 47% | 0.466 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.2 | -33.8 | 176 | -179.3 | 64 | 0 | 0 | 0 | 112.4 | K597 P598 E659 T660 V661 | K597-L663 HydrophobicContact CB-CD2 4.11Å; K597-L663 HydrophobicContact CD-CD2 4.44Å; P598-L663 HydrophobicContact CB-CD2 4.44Å; P598-L663 HydrophobicContact CG-CD2 4.48Å; E659-L663 WeakPolarHBondContact O-CB 3.42Å; E659-L663 PolarHBondContact O-N 2.94Å; T660-L663 WeakPolarHBondContact O-CB 3.32Å; T660-L663 PolarHBondContact O-N 3.23Å; V661-L663 VanDerWaalsContact C-N 3.32Å; V661-L663 PolarHBondContact O-N 3.1Å |
| 664 | R | 91.4 | Very high | 93.8 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 17% | 0.166 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 6.6 | -176.2 | -56.8 | -67.1 | -174.6 | 174.1 | -0.9 | 113.3 | T424 F425 D595 K597 P598 D599 T660 V661 L662 | T424-R664 HydrophobicContact CG2-CB 4.05Å; F425-R664 HydrophobicContact CE1-CB 4.15Å; F425-R664 HydrophobicContact CE1-CG 3.98Å; F425-R664 HydrophobicContact CZ-CB 3.71Å; F425-R664 HydrophobicContact CZ-CG 3.99Å; D595-R664 VanDerWaalsContact CG-NH1 3.26Å; D595-R664 IonicContact OD1-CZ 3.34Å; D595-R664 IonicContact OD1-NH1 3.81Å; D595-R664 PolarHBondContact OD1-NH1 2.9Å; D595-R664 VanDerWaalsContact OD1-NH1 3.13Å; D595-R664 IonicContact OD1-NH2 2.92Å; D595-R664 PolarHBondContact OD1-NH2 3.02Å; D595-R664 IonicContact OD2-CZ 3.74Å; D595-R664 IonicContact OD2-NH1 3.64Å; D595-R664 PolarHBondContact OD2-NH1 3.49Å; D595-R664 IonicContact OD2-NH2 3.86Å; K597-R664 PolarHBondContact O-NH2 2.88Å; P598-R664 PolarHBondContact O-NE 3.44Å; P598-R664 PolarHBondContact O-NH2 2.86Å; D599-R664 IonicContact OD1-NE 3.62Å; T660-R664 HydrophobicContact CG2-CG 4.44Å; T660-R664 WeakPolarHBondContact O-CB 3.47Å; T660-R664 VanDerWaalsContact O-CG 3.26Å; T660-R664 WeakPolarHBondContact O-CG 3.38Å; T660-R664 PolarHBondContact O-N 3.29Å; V661-R664 CarbonylContact O-C 3.59Å; V661-R664 PolarHBondContact O-N 3.35Å; L662-R664 VanDerWaalsContact C-N 3.29Å; L662-R664 PolarHBondContact O-N 3.3Å |
| 665 | K | 88.8 | Confident | 93.8 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | trans | -66.4 | 147.9 | -172.8 | 75.7 | -171.6 | 177.3 | 65.9 | 0 | 111.7 | S4 V661 L662 | S4-K665 WeakPolarHBondContact O-CE 3.47Å; S4-K665 PolarHBondContact O-NZ 2.92Å; S4-K665 VanDerWaalsContact OG-CE 3.27Å; S4-K665 WeakPolarHBondContact OG-CE 3.37Å; V661-K665 WeakPolarHBondContact O-CA 3.43Å; V661-K665 WeakPolarHBondContact O-CB 3.43Å; V661-K665 PolarHBondContact O-N 2.95Å; L662-K665 HydrophobicContact CD2-CD 4.16Å; L662-K665 WeakPolarHBondContact O-CD 3.4Å; L662-K665 VanDerWaalsContact O-CG 3.27Å; L662-K665 WeakPolarHBondContact O-CG 3.46Å | ||
| 666 | E | 86.1 | Confident | 93.8 | Very high | 89 Ų | 89 | 42.1 Ų | 42.1 | 42% | 0.416 | 19% | 0.193 | S | C | . | . | trans | -113.9 | 136.5 | 170.5 | -59.6 | -158.9 | 147.8 | 0 | 0 | 110.1 | K422 R668 | K422-E666 VanDerWaalsContact CA-OE1 3.28Å; K422-E666 WeakPolarHBondContact CA-OE1 3.34Å; K422-E666 WeakPolarHBondContact CB-OE1 3.3Å; K422-E666 WeakPolarHBondContact CB-OE2 3.19Å; K422-E666 VanDerWaalsContact CD-OE1 3.27Å; K422-E666 WeakPolarHBondContact CD-OE1 3.32Å; K422-E666 WeakPolarHBondContact CG-OE1 3.5Å; E666-R668 PolarHBondContact O-N 3.48Å | ||
| 667 | A | 86.5 | Confident | 93.8 | Very high | 35 Ų | 35 | 40 Ų | 40 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -67.3 | 132 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | P9 I12 | P9-A667 HydrophobicContact CG-CB 3.68Å; I12-A667 HydrophobicContact CD1-CB 3.77Å; I12-A667 HydrophobicContact CG1-CB 3.82Å |
| 668 | R | 87.3 | Confident | 93.6 | Very high | 131 Ų | 131 | 42.5 Ų | 42.5 | 49% | 0.494 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -58.6 | 138.9 | 173.5 | -176.5 | 174.2 | 176.3 | 155.7 | -3.6 | 109.9 | I12 F109 E666 | I12-R668 WeakPolarHBondContact CD1-O 3.32Å; F109-R668 VanDerWaalsContact CG-NH1 3.27Å; E666-R668 PolarHBondContact O-N 3.48Å |
| 669 | K | 91.4 | Very high | 92.9 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 27% | 0.27 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -65.7 | 150.5 | 178.5 | -58.4 | -176.7 | -174 | 173.6 | 0 | 112 | G13 V414 A417 | G13-K669 CarbonylContact O-C 3.4Å; G13-K669 WeakPolarHBondContact O-CA 3.42Å; G13-K669 WeakPolarHBondContact O-CB 3.28Å; V414-K669 HydrophobicContact CG1-CD 4.35Å; V414-K669 PolarHBondContact O-NZ 2.8Å; A417-K669 PolarHBondContact O-NZ 3.3Å |
| 670 | M | 94.9 | Very high | 91.3 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 5% | 0.054 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 153.3 | 169 | -60.8 | -176.1 | -74.5 | 0 | 0 | 111.2 | I12 G13 I14 S15 A97 G98 A101 L710 | I12-M670 HydrophobicContact CD1-CE 4.27Å; I12-M670 HydrophobicContact CD1-CG 4.46Å; I12-M670 HydrophobicContact CG2-CE 3.74Å; G13-M670 PolarHBondContact O-N 3Å; I14-M670 WeakPolarHBondContact CA-O 3.47Å; I14-M670 HydrophobicContact CD1-CE 3.6Å; I14-M670 HydrophobicContact CG1-CB 4.29Å; I14-M670 HydrophobicContact CG1-CE 3.81Å; S15-M670 PolarHBondContact N-O 3.41Å; A97-M670 HydrophobicContact CB-CE 4.03Å; A97-M670 HydrophobicContact CB-SD 4.42Å; G98-M670 VanDerWaalsContact CA-SD 3.59Å; A101-M670 HydrophobicContact CB-CB 4.24Å; A101-M670 HydrophobicContact CB-CG 4.09Å; A101-M670 HydrophobicContact CB-SD 3.89Å; M670-L710 HydrophobicContact CB-CD1 3.94Å |
| 671 | F | 95.9 | Very high | 88.9 | Confident | 30 Ų | 30 | 43.8 Ų | 43.8 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134 | 179.2 | -64 | -78.4 | 0 | 0 | 0 | 111.3 | S15 L17 I385 V411 V414 L710 | S15-F671 CarbonylContact O-C 3.49Å; S15-F671 VanDerWaalsContact O-CA 3.3Å; S15-F671 WeakPolarHBondContact O-CA 3.36Å; L17-F671 HydrophobicContact CD2-CD1 3.46Å; L17-F671 VanDerWaalsContact CD2-CD1 3.46Å; L17-F671 HydrophobicContact CD2-CE1 3.81Å; L17-F671 HydrophobicContact CD2-CG 4.32Å; L17-F671 HydrophobicContact CG-CB 4.3Å; L17-F671 HydrophobicContact CG-CD1 3.95Å; L17-F671 HydrophobicContact CG-CG 4.44Å; I385-F671 HydrophobicContact CB-CD2 4.26Å; I385-F671 HydrophobicContact CB-CE2 4.42Å; I385-F671 HydrophobicContact CD1-CB 3.63Å; I385-F671 HydrophobicContact CD1-CD2 3.86Å; I385-F671 HydrophobicContact CD1-CG 3.86Å; I385-F671 HydrophobicContact CG1-CD2 4.21Å; V411-F671 HydrophobicContact CG1-CE1 4.14Å; V411-F671 HydrophobicContact CG1-CE2 4.38Å; V411-F671 HydrophobicContact CG1-CZ 3.76Å; V414-F671 HydrophobicContact CB-CE1 3.72Å; V414-F671 HydrophobicContact CG1-CD1 4.09Å; V414-F671 HydrophobicContact CG1-CE1 3.44Å; V414-F671 VanDerWaalsContact CG1-CE1 3.44Å; V414-F671 HydrophobicContact CG1-CZ 4.27Å; V414-F671 HydrophobicContact CG2-CE1 4.24Å; F671-L710 WeakPolarHBondContact O-CD1 3.29Å |
| 672 | V | 97.4 | Very high | 86.2 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.5 | 167.4 | -172.7 | 0 | 0 | 0 | 0 | 108 | I14 S15 A16 L17 Y703 L710 | I14-V672 HydrophobicContact CG2-CG2 3.46Å; I14-V672 VanDerWaalsContact CG2-CG2 3.46Å; S15-V672 PolarHBondContact O-N 2.96Å; A16-V672 WeakPolarHBondContact CA-O 3.45Å; A16-V672 HydrophobicContact CB-CB 4.28Å; L17-V672 PolarHBondContact N-O 2.81Å; V672-Y703 HydrophobicContact CG1-CD2 4.5Å; V672-Y703 HydrophobicContact CG1-CG 4.44Å; V672-L710 HydrophobicContact CG2-CB 3.8Å; V672-L710 HydrophobicContact CG2-CD1 4.18Å; V672-L710 HydrophobicContact CG2-CG 4.11Å |
| 673 | Q | 98.3 | Very high | 83.6 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | trans | -105.6 | 141.5 | 180 | -59.1 | -169.6 | 49.5 | 0 | 0 | 110.6 | L17 W42 F380 I385 R717 | L17-Q673 HydrophobicContact CD1-CG 4.12Å; W42-Q673 HydrophobicContact CZ2-CB 4.18Å; F380-Q673 PolarHBondContact O-NE2 2.84Å; I385-Q673 HydrophobicContact CD1-CG 4.11Å; I385-Q673 VanDerWaalsContact CD1-NE2 3.28Å; Q673-R717 PolarHBondContact O-NH2 3.27Å | ||
| 674 | A | 97.6 | Very high | 80.8 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 5% | 0.05 | 31% | 0.31 | C | S | . | . | trans | -63.5 | 165 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L700 V701 E702 R717 | A674-L700 HydrophobicContact CB-CD1 3.63Å; A674-L700 HydrophobicContact CB-CG 4.08Å; A674-V701 CarbonylContact C-O 3.45Å; A674-V701 VanDerWaalsContact CA-O 3.31Å; A674-V701 WeakPolarHBondContact CA-O 3.36Å; A674-V701 WeakPolarHBondContact CB-O 3.38Å; A674-E702 HydrophobicContact CB-CG 4.41Å; A674-R717 PolarHBondContact O-NH1 3.01Å; A674-R717 VanDerWaalsContact O-NH1 3.15Å | ||
| 675 | N | 98.1 | Very high | 78.2 | Confident | 10 Ų | 10 | 70.9 Ų | 70.9 | 5% | 0.053 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 157.7 | 166 | -82.6 | -31.2 | 0 | 0 | 0 | 109.6 | V701 Y703 S713 R717 | N675-V701 HydrophobicContact CB-CB 4.22Å; N675-V701 PolarHBondContact N-O 2.82Å; N675-V701 PolarHBondContact O-N 2.87Å; N675-Y703 HydrophobicContact CB-CE2 4.12Å; N675-Y703 PolarHBondContact ND2-OH 3.46Å; N675-S713 PolarHBondContact ND2-O 3.45Å; N675-R717 WeakPolarHBondContact OD1-CG 3.31Å; N675-R717 PolarHBondContact OD1-NH1 3.49Å |
| 676 | T | 97 | Very high | 75.7 | Confident | 16 Ų | 16 | 72 Ų | 72 | 10% | 0.098 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.6 | 167 | 56.6 | 0 | 0 | 0 | 0 | 109.2 | F23 H35 L378 V698 E699 L700 | F23-T676 HydrophobicContact CE2-CG2 3.96Å; H35-T676 PolarHBondContact CE1-O 2.91Å; H35-T676 PolarHBondContact ND1-OG1 2.84Å; L378-T676 HydrophobicContact CD1-CG2 4.17Å; L378-T676 HydrophobicContact CD2-CG2 4.08Å; L378-T676 HydrophobicContact CG-CG2 4.47Å; T676-V698 HydrophobicContact CG2-CG1 4.39Å; T676-E699 CarbonylContact C-O 3.47Å; T676-E699 VanDerWaalsContact CA-O 3.26Å; T676-E699 WeakPolarHBondContact CA-O 3.41Å; T676-L700 HydrophobicContact CG2-CD1 4.26Å |
| 677 | R | 94.3 | Very high | 73.2 | Confident | 75 Ų | 75 | 75.5 Ų | 75.5 | 28% | 0.283 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 137.3 | -179.9 | -70.7 | -169.6 | 171.6 | 157.3 | 1.2 | 111 | V698 E699 V701 E716 | R677-V698 CarbonylContact O-C 3.57Å; R677-V698 VanDerWaalsContact O-CA 3.28Å; R677-V698 WeakPolarHBondContact O-CA 3.38Å; R677-E699 PolarHBondContact N-O 3.24Å; R677-E699 PolarHBondContact O-N 2.9Å; R677-V701 HydrophobicContact CG-CG2 3.97Å; R677-E716 IonicContact CZ-OE2 2.74Å; R677-E716 IonicContact NH1-OE2 2.7Å; R677-E716 PolarHBondContact NH1-OE2 3.41Å; R677-E716 VanDerWaalsContact NH2-CB 3.32Å; R677-E716 IonicContact NH2-OE2 3.7Å; R677-E716 PolarHBondContact NH2-OE2 3.41Å |
| 678 | I | 92.3 | Very high | 71.3 | Confident | 54 Ų | 54 | 84.4 Ų | 84.4 | 28% | 0.277 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 120 | 170.1 | -60.3 | 170.6 | 0 | 0 | 0 | 108 | M32 H35 Y36 E696 V698 | M32-I678 HydrophobicContact CE-CD1 3.93Å; M32-I678 HydrophobicContact SD-CD1 4.17Å; M32-I678 HydrophobicContact SD-CG1 4.16Å; H35-I678 WeakPolarHBondContact NE2-CD1 3.45Å; Y36-I678 HydrophobicContact CE1-CD1 4.33Å; I678-E696 HydrophobicContact CG2-CB 4.08Å; I678-E696 HydrophobicContact CG2-CG 4.27Å; I678-V698 HydrophobicContact CG1-CG2 4.32Å |
| 679 | S | 82.9 | Confident | 69 | Low | 43 Ų | 43 | 87.4 Ų | 87.4 | 30% | 0.301 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 112.1 | 173.5 | -67.7 | 0 | 0 | 0 | 0 | 108.9 | N697 E699 | S679-N697 PolarHBondContact N-O 3.23Å; S679-N697 PolarHBondContact O-N 2.99Å; S679-E699 VanDerWaalsContact CB-OE1 3.3Å; S679-E699 WeakPolarHBondContact CB-OE1 3.32Å; S679-E699 PolarHBondContact OG-OE1 2.91Å; S679-E699 VanDerWaalsContact OG-OE1 3.05Å; S679-E699 PolarHBondContact OG-OE2 3.47Å |
| 680 | G | 60.9 | Low | 66.4 | Low | 40 Ų | 40 | 90.6 Ų | 90.6 | 41% | 0.412 | 45% | 0.454 | S | S | . | . | S | Bend | trans | 149.6 | 122.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 681 | N | 45.5 | Very low | 63.5 | Low | 108 Ų | 108 | 97.4 Ų | 97.4 | 58% | 0.578 | 49% | 0.49 | S | S | * | . | trans | 61.5 | 80.2 | -175.5 | -70 | -20.9 | 0 | 0 | 0 | 118.4 | L683 | N681-L683 PolarHBondContact O-N 2.85Š| ||
| 682 | K | 39.8 | Very low | 60.8 | Low | 202 Ų | 202 | 102.8 Ų | 102.8 | 88% | 0.878 | 52% | 0.516 | S | S | * | . | trans | -69.8 | 109.8 | 130.5 | -84.2 | -177.8 | 176.7 | 178.5 | 0 | 106.9 | E684 | K682-E684 VanDerWaalsContact C-N 3.33Å; K682-E684 PolarHBondContact O-N 3.02Å | ||
| 683 | L | 36.7 | Very low | 57.8 | Low | 127 Ų | 127 | 109.3 Ų | 109.3 | 67% | 0.665 | 56% | 0.556 | S | S | * | * | trans | -62.6 | 95.4 | 165.3 | -82.8 | 154.9 | 0 | 0 | 0 | 108.3 | N681 F685 M690 | N681-L683 PolarHBondContact O-N 2.85Å; L683-F685 PolarHBondContact O-N 2.48Å; L683-M690 HydrophobicContact CD2-CE 4.35Å | ||
| 684 | E | 33.7 | Very low | 55.1 | Low | 178 Ų | 178 | 111.8 Ų | 111.8 | 83% | 0.832 | 59% | 0.586 | S | S | * | * | trans | -73.5 | 114.3 | 156.8 | -76.6 | -170.6 | 170.7 | 0 | 0 | 107.4 | K682 G686 | K682-E684 VanDerWaalsContact C-N 3.33Å; K682-E684 PolarHBondContact O-N 3.02Å; E684-G686 VanDerWaalsContact C-N 3.28Å; E684-G686 PolarHBondContact O-N 3.49Å | ||
| 685 | F | 36.2 | Very low | 53.2 | Low | 214 Ų | 214 | 114.7 Ų | 114.7 | 94% | 0.939 | 62% | 0.616 | S | S | * | * | trans | -65.9 | 90.2 | 169.3 | -91.8 | -92.4 | 0 | 0 | 0 | 108.7 | L683 | L683-F685 PolarHBondContact O-N 2.48Š| ||
| 686 | G | 37.8 | Very low | 51.8 | Low | 63 Ų | 63 | 119.1 Ų | 119.1 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | trans | -162.9 | 86.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | E684 | E684-G686 VanDerWaalsContact C-N 3.28Å; E684-G686 PolarHBondContact O-N 3.49Å | ||
| 687 | D | 32.9 | Very low | 51.3 | Low | 161 Ų | 161 | 121.9 Ų | 121.9 | 86% | 0.861 | 65% | 0.651 | S | S | * | * | trans | 74.6 | 139.3 | 160.5 | -130.4 | -9.7 | 0 | 0 | 0 | 120.3 | H689 | D687-H689 PolarHBondContact O-N 3.5Š| ||
| 688 | R | 46.4 | Very low | 51.4 | Low | 223 Ų | 223 | 118.5 Ų | 118.5 | 84% | 0.842 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -75.2 | 108.6 | -169.8 | -72.3 | 172.5 | -118 | -171.8 | -5.2 | 110.2 | ||
| 689 | H | 40 | Very low | 51.5 | Low | 193 Ų | 193 | 120.4 Ų | 120.4 | 89% | 0.894 | 65% | 0.646 | S | S | * | * | trans | 179.5 | 98.8 | 135.6 | -92.1 | -56.3 | 0 | 0 | 0 | 109.5 | D687 N691 | D687-H689 PolarHBondContact O-N 3.5Å; H689-N691 PolarHBondContact O-N 3.1Å | ||
| 690 | M | 36.4 | Very low | 52.2 | Low | 129 Ų | 129 | 119.9 Ų | 119.9 | 64% | 0.635 | 64% | 0.64 | S | S | * | * | trans | -81.6 | 108.8 | 178.3 | -82.4 | -88.4 | -164.9 | 0 | 0 | 111 | L683 Q692 | L683-M690 HydrophobicContact CD2-CE 4.35Å; M690-Q692 HydrophobicContact SD-CG 3.55Å; M690-Q692 VanDerWaalsContact SD-CG 3.55Å | ||
| 691 | N | 33.3 | Very low | 53.9 | Low | 154 Ų | 154 | 119.4 Ų | 119.4 | 82% | 0.824 | 63% | 0.629 | S | S | * | * | trans | -105.1 | 87.4 | 149.2 | -87.3 | -13.6 | 0 | 0 | 0 | 107.2 | H689 T693 | H689-N691 PolarHBondContact O-N 3.1Å; N691-T693 PolarHBondContact O-N 2.93Å | ||
| 692 | Q | 38.4 | Very low | 56.4 | Low | 143 Ų | 143 | 117.9 Ų | 117.9 | 67% | 0.668 | 62% | 0.618 | S | S | * | * | trans | -68.3 | 110.5 | 173.7 | -77.1 | 177.9 | -20.7 | 0 | 0 | 109.7 | M690 | M690-Q692 HydrophobicContact SD-CG 3.55Å; M690-Q692 VanDerWaalsContact SD-CG 3.55Å | ||
| 693 | T | 35.5 | Very low | 59.1 | Low | 139 Ų | 139 | 109.6 Ų | 109.6 | 85% | 0.853 | 58% | 0.582 | S | S | * | * | trans | -132.9 | 8.2 | 174.1 | 45.6 | 0 | 0 | 0 | 0 | 113.9 | N691 | N691-T693 PolarHBondContact O-N 2.93Š| ||
| 694 | G | 41.8 | Very low | 62 | Low | 69 Ų | 69 | 109.7 Ų | 109.7 | 71% | 0.711 | 58% | 0.579 | S | S | * | * | trans | -107.5 | 111.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 695 | G | 56.4 | Low | 65 | Low | 67 Ų | 67 | 104.3 Ų | 104.3 | 69% | 0.691 | 56% | 0.561 | S | S | * | * | trans | -71.5 | 151 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N697 | G695-N697 PolarHBondContact O-N 3.43Š| ||
| 696 | E | 70.4 | Confident | 67.9 | Low | 104 Ų | 104 | 95.3 Ų | 95.3 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | trans | -58.9 | 129.3 | 169.2 | -69.5 | 174.8 | -179.5 | 0 | 0 | 109.6 | I678 | I678-E696 HydrophobicContact CG2-CB 4.08Å; I678-E696 HydrophobicContact CG2-CG 4.27Å | ||
| 697 | N | 86.6 | Confident | 70.8 | Confident | 74 Ų | 74 | 92.5 Ų | 92.5 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 140.2 | 178.1 | -174.8 | 31.6 | 0 | 0 | 0 | 109.7 | S679 G695 | S679-N697 PolarHBondContact N-O 3.23Å; S679-N697 PolarHBondContact O-N 2.99Å; G695-N697 PolarHBondContact O-N 3.43Å |
| 698 | V | 94.8 | Very high | 73.9 | Confident | 4 Ų | 4 | 85.6 Ų | 85.6 | 2% | 0.024 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.4 | 175.6 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | F23 K31 M32 H35 T676 R677 I678 | F23-V698 HydrophobicContact CE2-CG1 4.41Å; F23-V698 HydrophobicContact CZ-CB 4.35Å; F23-V698 HydrophobicContact CZ-CG1 4.01Å; K31-V698 HydrophobicContact CB-CB 3.92Å; K31-V698 HydrophobicContact CB-CG2 4.07Å; M32-V698 HydrophobicContact CG-CG2 4Å; M32-V698 HydrophobicContact SD-CG2 3.27Å; M32-V698 WeakPolarHBondContact SD-CG2 3.26Å; H35-V698 HydrophobicContact CB-CG1 4.05Å; H35-V698 HydrophobicContact CB-CG2 4.31Å; T676-V698 HydrophobicContact CG2-CG1 4.39Å; R677-V698 CarbonylContact O-C 3.57Å; R677-V698 VanDerWaalsContact O-CA 3.28Å; R677-V698 WeakPolarHBondContact O-CA 3.38Å; I678-V698 HydrophobicContact CG1-CG2 4.32Å |
| 699 | E | 95.4 | Very high | 76.4 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 44% | 0.435 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 145.4 | 178 | -67.9 | 174.6 | -167.4 | 0 | 0 | 111.1 | T676 R677 S679 | T676-E699 CarbonylContact C-O 3.47Å; T676-E699 VanDerWaalsContact CA-O 3.26Å; T676-E699 WeakPolarHBondContact CA-O 3.41Å; R677-E699 PolarHBondContact N-O 3.24Å; R677-E699 PolarHBondContact O-N 2.9Å; S679-E699 VanDerWaalsContact CB-OE1 3.3Å; S679-E699 WeakPolarHBondContact CB-OE1 3.32Å; S679-E699 PolarHBondContact OG-OE1 2.91Å; S679-E699 VanDerWaalsContact OG-OE1 3.05Å; S679-E699 PolarHBondContact OG-OE2 3.47Å |
| 700 | L | 96.6 | Very high | 79.2 | Confident | 32 Ų | 32 | 65.9 Ų | 65.9 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 129.5 | 172 | -169.9 | 73.3 | 0 | 0 | 0 | 109 | F23 L378 A674 T676 E702 | F23-L700 HydrophobicContact CB-CD2 4.2Å; F23-L700 HydrophobicContact CD1-CB 3.72Å; F23-L700 HydrophobicContact CD1-CD2 4.39Å; F23-L700 HydrophobicContact CD1-CG 4.45Å; F23-L700 HydrophobicContact CD2-CD1 4.23Å; F23-L700 HydrophobicContact CE1-CB 3.78Å; F23-L700 HydrophobicContact CG-CB 4.22Å; F23-L700 HydrophobicContact CG-CD1 4.19Å; F23-L700 HydrophobicContact CG-CD2 4.35Å; F23-L700 HydrophobicContact CZ-CB 4.33Å; L378-L700 HydrophobicContact CD1-CD1 3.52Å; A674-L700 HydrophobicContact CB-CD1 3.63Å; A674-L700 HydrophobicContact CB-CG 4.08Å; T676-L700 HydrophobicContact CG2-CD1 4.26Å; L700-E702 HydrophobicContact CD2-CG 4.13Å; L700-E702 HydrophobicContact CG-CG 4.35Å |
| 701 | V | 97.5 | Very high | 82.2 | Confident | 31 Ų | 31 | 59.8 Ų | 59.8 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 113.1 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | A674 N675 R677 Y703 | A674-V701 CarbonylContact C-O 3.45Å; A674-V701 VanDerWaalsContact CA-O 3.31Å; A674-V701 WeakPolarHBondContact CA-O 3.36Å; A674-V701 WeakPolarHBondContact CB-O 3.38Å; N675-V701 HydrophobicContact CB-CB 4.22Å; N675-V701 PolarHBondContact N-O 2.82Å; N675-V701 PolarHBondContact O-N 2.87Å; R677-V701 HydrophobicContact CG-CG2 3.97Å; V701-Y703 HydrophobicContact CG1-CE1 4.19Å; V701-Y703 HydrophobicContact CG1-CE2 4.21Å; V701-Y703 WeakPolarHBondContact CG1-OH 3.46Å; V701-Y703 WeakPolarHBondContact O-CE2 3.3Å |
| 702 | E | 97.3 | Very high | 85.3 | Confident | 75 Ų | 75 | 56.1 Ų | 56.1 | 35% | 0.35 | 32% | 0.324 | S | S | . | . | trans | -99.8 | 158.5 | 179.7 | -69 | 158.1 | 99.7 | 0 | 0 | 111.6 | R20 A674 L700 | R20-E702 IonicContact CZ-OE1 2.9Å; R20-E702 VanDerWaalsContact CZ-OE1 3.28Å; R20-E702 IonicContact CZ-OE2 2.64Å; R20-E702 IonicContact NE-OE1 3.65Å; R20-E702 PolarHBondContact NE-OE1 3.17Å; R20-E702 IonicContact NE-OE2 2.73Å; R20-E702 IonicContact NH1-OE2 3.91Å; R20-E702 PolarHBondContact NH1-OE2 3.37Å; R20-E702 IonicContact NH2-OE1 3.41Å; R20-E702 PolarHBondContact NH2-OE1 2.83Å; R20-E702 IonicContact NH2-OE2 2.89Å; R20-E702 PolarHBondContact NH2-OE2 3.04Å; A674-E702 HydrophobicContact CB-CG 4.41Å; L700-E702 HydrophobicContact CD2-CG 4.13Å; L700-E702 HydrophobicContact CG-CG 4.35Å | ||
| 703 | Y | 97.7 | Very high | 88.1 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | trans | -132.7 | 158 | -176.1 | -55 | -87.9 | 0 | 0 | 0 | 110.2 | V672 N675 V701 R712 E716 | V672-Y703 HydrophobicContact CG1-CD2 4.5Å; V672-Y703 HydrophobicContact CG1-CG 4.44Å; N675-Y703 HydrophobicContact CB-CE2 4.12Å; N675-Y703 PolarHBondContact ND2-OH 3.46Å; V701-Y703 HydrophobicContact CG1-CE1 4.19Å; V701-Y703 HydrophobicContact CG1-CE2 4.21Å; V701-Y703 WeakPolarHBondContact CG1-OH 3.46Å; V701-Y703 WeakPolarHBondContact O-CE2 3.3Å; Y703-R712 HydrophobicContact CD1-CB 3.94Å; Y703-R712 HydrophobicContact CE1-CB 4.23Å; Y703-E716 HydrophobicContact CE1-CB 4.4Å | ||
| 704 | E | 96.8 | Very high | 91.1 | Very high | 129 Ų | 129 | 43.2 Ų | 43.2 | 60% | 0.603 | 25% | 0.254 | S | S | * | . | trans | -63.9 | 149.7 | 178.5 | -170.5 | -171.1 | -164 | 0 | 0 | 112.1 | S706 | E704-S706 PolarHBondContact O-N 2.57Å; E704-S706 WeakPolarHBondContact OE2-CB 3.32Å; E704-S706 PolarHBondContact OE2-OG 3.05Å | ||
| 705 | S | 96.8 | Very high | 93.7 | Very high | 65 Ų | 65 | 40.9 Ų | 40.9 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -73.6 | 58.7 | 170.4 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | A16 | A16-S705 WeakPolarHBondContact CB-OG 3.39Å; A16-S705 PolarHBondContact N-OG 3.13Å |
| 706 | S | 97.6 | Very high | 95.6 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -142 | 165.4 | -177.6 | 71.8 | 0 | 0 | 0 | 0 | 111.3 | E704 A708 G709 L710 | E704-S706 PolarHBondContact O-N 2.57Å; E704-S706 WeakPolarHBondContact OE2-CB 3.32Å; E704-S706 PolarHBondContact OE2-OG 3.05Å; S706-A708 VanDerWaalsContact C-N 3.27Å; S706-A708 PolarHBondContact O-N 3.4Å; S706-G709 PolarHBondContact O-N 3.36Å; S706-G709 PolarHBondContact OG-N 3.43Å; S706-L710 PolarHBondContact O-N 3.4Å |
| 707 | A | 98.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | I14 L93 V94 A97 L710 I711 | I14-A707 HydrophobicContact CD1-CB 3.8Å; L93-A707 HydrophobicContact CB-CB 4.02Å; V94-A707 HydrophobicContact CG2-CB 4.19Å; A97-A707 HydrophobicContact CB-CB 4Å; A707-L710 PolarHBondContact O-N 3.11Å; A707-I711 WeakPolarHBondContact O-CD1 3.45Å; A707-I711 VanDerWaalsContact O-CG1 3.26Å; A707-I711 WeakPolarHBondContact O-CG1 3.33Å; A707-I711 PolarHBondContact O-N 2.9Å |
| 708 | A | 98.4 | Very high | 97.1 | Very high | 15 Ų | 15 | 32.5 Ų | 32.5 | 12% | 0.124 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P72 S706 I711 R712 | P72-A708 HydrophobicContact CB-CB 3.77Å; P72-A708 HydrophobicContact CG-CB 3.89Å; S706-A708 VanDerWaalsContact C-N 3.27Å; S706-A708 PolarHBondContact O-N 3.4Å; A708-I711 PolarHBondContact O-N 3.48Å; A708-R712 WeakPolarHBondContact O-CB 3.4Å; A708-R712 WeakPolarHBondContact O-CG 3.11Å; A708-R712 PolarHBondContact O-N 3.46Å |
| 709 | G | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S706 R712 S713 | S706-G709 PolarHBondContact O-N 3.36Å; S706-G709 PolarHBondContact OG-N 3.43Å; G709-R712 PolarHBondContact O-N 3.34Å; G709-S713 PolarHBondContact O-N 2.76Å |
| 710 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -49.5 | 174.7 | -157.9 | 154.3 | 0 | 0 | 0 | 111.1 | A97 Y100 A101 M670 F671 V672 S706 A707 R712 S713 F714 | A97-L710 HydrophobicContact CB-CB 4.13Å; A97-L710 HydrophobicContact CB-CD1 4.33Å; A97-L710 HydrophobicContact CB-CD2 4.14Å; A97-L710 HydrophobicContact CB-CG 4.43Å; A97-L710 WeakPolarHBondContact O-CD2 3.17Å; Y100-L710 HydrophobicContact CD2-CD2 4.35Å; A101-L710 HydrophobicContact CB-CD1 4.15Å; M670-L710 HydrophobicContact CB-CD1 3.94Å; F671-L710 WeakPolarHBondContact O-CD1 3.29Å; V672-L710 HydrophobicContact CG2-CB 3.8Å; V672-L710 HydrophobicContact CG2-CD1 4.18Å; V672-L710 HydrophobicContact CG2-CG 4.11Å; S706-L710 PolarHBondContact O-N 3.4Å; A707-L710 PolarHBondContact O-N 3.11Å; L710-R712 PolarHBondContact O-N 2.96Å; L710-S713 WeakPolarHBondContact O-CB 3.44Å; L710-S713 PolarHBondContact O-N 3.08Å; L710-S713 VanDerWaalsContact O-N 3.16Å; L710-S713 PolarHBondContact O-OG 3.03Å; L710-F714 HydrophobicContact CD2-CD2 3.83Å; L710-F714 HydrophobicContact CD2-CE2 3.87Å; L710-F714 WeakPolarHBondContact O-CD2 3.43Å; L710-F714 PolarHBondContact O-N 2.83Å |
| 711 | I | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.5 | -50.3 | 177.1 | -70.8 | 160.4 | 0 | 0 | 0 | 110.9 | F67 P72 L93 A96 A97 Y100 A707 A708 S713 F714 T715 | F67-I711 HydrophobicContact CB-CG2 3.98Å; F67-I711 HydrophobicContact CD1-CG2 3.68Å; F67-I711 HydrophobicContact CD2-CG2 3.57Å; F67-I711 HydrophobicContact CE1-CD1 4.32Å; F67-I711 HydrophobicContact CE1-CG2 3.98Å; F67-I711 HydrophobicContact CE2-CD1 4.17Å; F67-I711 HydrophobicContact CE2-CG1 4.41Å; F67-I711 HydrophobicContact CE2-CG2 3.89Å; F67-I711 HydrophobicContact CG-CG2 3.46Å; F67-I711 VanDerWaalsContact CG-CG2 3.46Å; F67-I711 HydrophobicContact CZ-CD1 3.84Å; F67-I711 HydrophobicContact CZ-CG2 4.08Å; P72-I711 HydrophobicContact CG-CB 4.42Å; P72-I711 HydrophobicContact CG-CG2 4.09Å; L93-I711 HydrophobicContact CB-CD1 4.16Å; L93-I711 HydrophobicContact CD2-CD1 3.55Å; L93-I711 HydrophobicContact CG-CD1 4.46Å; A96-I711 HydrophobicContact CB-CD1 3.98Å; A96-I711 HydrophobicContact CB-CG1 4.21Å; A97-I711 HydrophobicContact CB-CG1 4.41Å; Y100-I711 HydrophobicContact CD2-CG1 4.15Å; Y100-I711 HydrophobicContact CE2-CB 4.31Å; Y100-I711 HydrophobicContact CE2-CG1 4.05Å; Y100-I711 HydrophobicContact CE2-CG2 4.23Å; A707-I711 WeakPolarHBondContact O-CD1 3.45Å; A707-I711 VanDerWaalsContact O-CG1 3.26Å; A707-I711 WeakPolarHBondContact O-CG1 3.33Å; A707-I711 PolarHBondContact O-N 2.9Å; A708-I711 PolarHBondContact O-N 3.48Å; I711-S713 VanDerWaalsContact C-N 3.28Å; I711-S713 PolarHBondContact O-N 3.37Å; I711-F714 PolarHBondContact O-N 3.42Å; I711-T715 PolarHBondContact O-N 2.82Å; I711-T715 PolarHBondContact O-OG1 3.24Å; I711-T715 VanDerWaalsContact O-OG1 3.13Å |
| 712 | R | 98.4 | Very high | 96 | Very high | 78 Ų | 78 | 37.3 Ų | 37.3 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -56.1 | -43.6 | 177.2 | -74.8 | 178.6 | -176 | 175.6 | 4.6 | 111.4 | D73 Y703 A708 G709 L710 F714 T715 E716 | D73-R712 VanDerWaalsContact CG-NH2 3.32Å; D73-R712 IonicContact OD1-NH2 3.4Å; D73-R712 IonicContact OD2-CZ 3.13Å; D73-R712 IonicContact OD2-NH2 3.25Å; D73-R712 PolarHBondContact OD2-NH2 2.94Å; Y703-R712 HydrophobicContact CD1-CB 3.94Å; Y703-R712 HydrophobicContact CE1-CB 4.23Å; A708-R712 WeakPolarHBondContact O-CB 3.4Å; A708-R712 WeakPolarHBondContact O-CG 3.11Å; A708-R712 PolarHBondContact O-N 3.46Å; G709-R712 PolarHBondContact O-N 3.34Å; L710-R712 PolarHBondContact O-N 2.96Å; R712-F714 PolarHBondContact O-N 3.05Å; R712-F714 VanDerWaalsContact O-N 3.14Å; R712-T715 PolarHBondContact O-N 3.18Å; R712-E716 VanDerWaalsContact O-CB 3.26Å; R712-E716 WeakPolarHBondContact O-CB 3.33Å; R712-E716 WeakPolarHBondContact O-CG 3.43Å; R712-E716 PolarHBondContact O-N 3.05Å |
| 713 | S | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.5 | -31.3 | 178.7 | 86.5 | 0 | 0 | 0 | 0 | 113.2 | N675 G709 L710 I711 R717 | N675-S713 PolarHBondContact ND2-O 3.45Å; G709-S713 PolarHBondContact O-N 2.76Å; L710-S713 WeakPolarHBondContact O-CB 3.44Å; L710-S713 PolarHBondContact O-N 3.08Å; L710-S713 VanDerWaalsContact O-N 3.16Å; L710-S713 PolarHBondContact O-OG 3.03Å; I711-S713 VanDerWaalsContact C-N 3.28Å; I711-S713 PolarHBondContact O-N 3.37Å; S713-R717 WeakPolarHBondContact O-CB 3.39Å; S713-R717 PolarHBondContact O-NE 2.73Å; S713-R717 PolarHBondContact O-NH2 2.78Å; S713-R717 PolarHBondContact OG-NH2 2.98Å |
| 714 | F | 98.3 | Very high | 95.7 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -86 | -42.2 | 178 | -88.9 | -94.9 | 0 | 0 | 0 | 113 | W42 F60 Y100 M103 L710 I711 R712 E716 R717 | W42-F714 HydrophobicContact CH2-CZ 4.49Å; W42-F714 HydrophobicContact CZ3-CE1 4.36Å; W42-F714 HydrophobicContact CZ3-CZ 4.09Å; F60-F714 HydrophobicContact CE2-CD1 4.27Å; Y100-F714 HydrophobicContact CD1-CB 4.1Å; Y100-F714 AromaticContact CD1-CD1 3.82Å; Y100-F714 HydrophobicContact CD1-CD1 3.82Å; Y100-F714 HydrophobicContact CD1-CE1 4.4Å; Y100-F714 AromaticContact CD1-CG 3.93Å; Y100-F714 HydrophobicContact CD1-CG 3.93Å; Y100-F714 HydrophobicContact CD2-CB 3.9Å; Y100-F714 HydrophobicContact CD2-CD2 4.3Å; Y100-F714 HydrophobicContact CD2-CG 4.08Å; Y100-F714 HydrophobicContact CE1-CB 4.28Å; Y100-F714 HydrophobicContact CE2-CB 4.07Å; Y100-F714 HydrophobicContact CG-CB 3.92Å; Y100-F714 AromaticContact CG-CD1 3.96Å; Y100-F714 HydrophobicContact CG-CD1 3.96Å; Y100-F714 AromaticContact CG-CD2 3.98Å; Y100-F714 HydrophobicContact CG-CD2 3.98Å; Y100-F714 HydrophobicContact CG-CE1 4.46Å; Y100-F714 HydrophobicContact CG-CE2 4.5Å; Y100-F714 AromaticContact CG-CG 3.67Å; Y100-F714 HydrophobicContact CG-CG 3.67Å; Y100-F714 WeakPolarHBondContact O-CZ 3.31Å; M103-F714 HydrophobicContact CE-CE1 3.47Å; M103-F714 VanDerWaalsContact CE-CE1 3.47Å; M103-F714 HydrophobicContact CE-CZ 3.88Å; M103-F714 HydrophobicContact SD-CE1 4.32Å; L710-F714 HydrophobicContact CD2-CD2 3.83Å; L710-F714 HydrophobicContact CD2-CE2 3.87Å; L710-F714 WeakPolarHBondContact O-CD2 3.43Å; L710-F714 PolarHBondContact O-N 2.83Å; I711-F714 PolarHBondContact O-N 3.42Å; R712-F714 PolarHBondContact O-N 3.05Å; R712-F714 VanDerWaalsContact O-N 3.14Å; F714-E716 PolarHBondContact O-N 3.34Å; F714-R717 VanDerWaalsContact O-CB 3.31Å; F714-R717 WeakPolarHBondContact O-CB 3.24Å; F714-R717 PolarHBondContact O-N 2.91Å; F714-R717 VanDerWaalsContact O-N 3.14Å |
| 715 | T | 95.7 | Very high | 95.7 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 13% | 0.129 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -33.3 | 175.4 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | F67 R68 I711 R712 | F67-T715 HydrophobicContact CB-CG2 4.42Å; F67-T715 WeakPolarHBondContact CB-OG1 3.42Å; R68-T715 HydrophobicContact CB-CG2 4.34Å; I711-T715 PolarHBondContact O-N 2.82Å; I711-T715 PolarHBondContact O-OG1 3.24Å; I711-T715 VanDerWaalsContact O-OG1 3.13Å; R712-T715 PolarHBondContact O-N 3.18Å |
| 716 | E | 96.3 | Very high | 95.7 | Very high | 54 Ų | 54 | 36.1 Ų | 36.1 | 25% | 0.252 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -4.4 | -179.8 | -73.5 | -168 | -133.6 | 0 | 0 | 114.7 | R677 Y703 R712 F714 | R677-E716 IonicContact CZ-OE2 2.74Å; R677-E716 IonicContact NH1-OE2 2.7Å; R677-E716 PolarHBondContact NH1-OE2 3.41Å; R677-E716 VanDerWaalsContact NH2-CB 3.32Å; R677-E716 IonicContact NH2-OE2 3.7Å; R677-E716 PolarHBondContact NH2-OE2 3.41Å; Y703-E716 HydrophobicContact CE1-CB 4.4Å; R712-E716 VanDerWaalsContact O-CB 3.26Å; R712-E716 WeakPolarHBondContact O-CB 3.33Å; R712-E716 WeakPolarHBondContact O-CG 3.43Å; R712-E716 PolarHBondContact O-N 3.05Å; F714-E716 PolarHBondContact O-N 3.34Å |
| 717 | R | 96.4 | Very high | 95.7 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -35.1 | -170.6 | -159.1 | 164.6 | -62.9 | -85.8 | -2 | 114 | W42 Q673 A674 N675 S713 F714 | W42-R717 VanDerWaalsContact CD2-CD 3.44Å; W42-R717 HydrophobicContact CD2-CG 4.44Å; W42-R717 HydrophobicContact CG-CG 4.18Å; Q673-R717 PolarHBondContact O-NH2 3.27Å; A674-R717 PolarHBondContact O-NH1 3.01Å; A674-R717 VanDerWaalsContact O-NH1 3.15Å; N675-R717 WeakPolarHBondContact OD1-CG 3.31Å; N675-R717 PolarHBondContact OD1-NH1 3.49Å; S713-R717 WeakPolarHBondContact O-CB 3.39Å; S713-R717 PolarHBondContact O-NE 2.73Å; S713-R717 PolarHBondContact O-NH2 2.78Å; S713-R717 PolarHBondContact OG-NH2 2.98Å; F714-R717 VanDerWaalsContact O-CB 3.31Å; F714-R717 WeakPolarHBondContact O-CB 3.24Å; F714-R717 PolarHBondContact O-N 2.91Å; F714-R717 VanDerWaalsContact O-N 3.14Å |
| 718 | F | 93.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -121.9 | 37.3 | -171.8 | -53.6 | -73 | 0 | 0 | 0 | 112.2 | W42 Y43 L46 F60 D720 A722 L725 | W42-F718 HydrophobicContact CB-CE1 3.8Å; W42-F718 HydrophobicContact CB-CZ 3.91Å; Y43-F718 HydrophobicContact CD1-CD1 4.5Å; Y43-F718 HydrophobicContact CE1-CD1 4.11Å; Y43-F718 HydrophobicContact CE2-CD1 4.24Å; Y43-F718 HydrophobicContact CG-CE1 4.5Å; Y43-F718 AromaticContact CZ-CD1 3.97Å; L46-F718 HydrophobicContact CD1-CE1 4.02Å; L46-F718 HydrophobicContact CD1-CE2 4.43Å; L46-F718 HydrophobicContact CD1-CZ 3.94Å; L46-F718 HydrophobicContact CD2-CE2 4.13Å; L46-F718 HydrophobicContact CD2-CZ 4.08Å; L46-F718 HydrophobicContact CG-CZ 4.11Å; F60-F718 HydrophobicContact CZ-CE2 4.31Å; F718-D720 VanDerWaalsContact C-N 3.3Å; F718-D720 PolarHBondContact O-N 2.93Å; F718-A722 VanDerWaalsContact O-CA 3.28Å; F718-A722 WeakPolarHBondContact O-CA 3.15Å; F718-A722 WeakPolarHBondContact O-CB 3.36Å; F718-A722 PolarHBondContact O-N 2.71Å; F718-L725 HydrophobicContact CB-CD2 3.76Å; F718-L725 HydrophobicContact CD1-CD2 3.85Å; F718-L725 HydrophobicContact CD2-CD2 4.17Å; F718-L725 HydrophobicContact CE1-CD2 4.47Å; F718-L725 HydrophobicContact CG-CD2 3.67Å |
| 719 | Q | 87.9 | Confident | 95.6 | Very high | 108 Ų | 108 | 38 Ų | 38 | 51% | 0.505 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -30.5 | -170.8 | -71.6 | -174.2 | -24.7 | 0 | 0 | 114 | D721 | Q719-D721 PolarHBondContact O-N 3.39Š|
| 720 | D | 86.8 | Confident | 95.6 | Very high | 124 Ų | 124 | 39.9 Ų | 39.9 | 66% | 0.663 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -30.9 | -170.2 | -50.6 | -47.3 | 0 | 0 | 0 | 113.4 | R39 F718 | R39-D720 IonicContact CZ-OD2 3.73Å; R39-D720 VanDerWaalsContact CZ-OD2 3.28Å; R39-D720 IonicContact NH1-OD2 2.88Å; R39-D720 PolarHBondContact NH1-OD2 2.94Å; R39-D720 IonicContact NH2-OD2 3.71Å; R39-D720 PolarHBondContact NH2-OD2 3.35Å; F718-D720 VanDerWaalsContact C-N 3.3Å; F718-D720 PolarHBondContact O-N 2.93Å |
| 721 | D | 91.9 | Very high | 95.6 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -138.8 | 27 | -174.3 | 63.2 | -8.8 | 0 | 0 | 0 | 112.9 | Y43 K256 Q719 E723 Q724 L725 | Y43-D721 WeakPolarHBondContact CE1-OD2 3.49Å; Y43-D721 PolarHBondContact OH-OD1 2.84Å; Y43-D721 PolarHBondContact OH-OD2 3.44Å; K256-D721 WeakPolarHBondContact CE-OD2 3.37Å; K256-D721 IonicContact NZ-OD2 3.56Å; K256-D721 PolarHBondContact NZ-OD2 2.77Å; Q719-D721 PolarHBondContact O-N 3.39Å; D721-E723 PolarHBondContact O-N 3.39Å; D721-Q724 WeakPolarHBondContact O-CB 3.38Å; D721-Q724 PolarHBondContact O-N 3.5Å; D721-Q724 VanDerWaalsContact O-N 3.1Å; D721-L725 WeakPolarHBondContact O-CB 3.18Å; D721-L725 PolarHBondContact O-N 2.66Å |
| 722 | A | 92.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.1 | -46.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F718 L725 E726 | F718-A722 VanDerWaalsContact O-CA 3.28Å; F718-A722 WeakPolarHBondContact O-CA 3.15Å; F718-A722 WeakPolarHBondContact O-CB 3.36Å; F718-A722 PolarHBondContact O-N 2.71Å; A722-L725 PolarHBondContact O-N 3.22Å; A722-E726 WeakPolarHBondContact O-CG 3.08Å; A722-E726 PolarHBondContact O-N 3.37Å |
| 723 | E | 93.6 | Very high | 95.3 | Very high | 140 Ų | 140 | 42.6 Ų | 42.6 | 65% | 0.654 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -69.4 | -37.5 | -179.6 | -64.7 | -177.5 | 172.5 | 0 | 0 | 112.3 | D721 A727 | D721-E723 PolarHBondContact O-N 3.39Å; E723-A727 PolarHBondContact O-N 2.72Å; E723-A727 VanDerWaalsContact O-N 3.12Å |
| 724 | Q | 96.2 | Very high | 95.2 | Very high | 115 Ų | 115 | 50.5 Ų | 50.5 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 174.9 | -176.7 | -175 | 12 | 0 | 0 | 110.4 | D721 A727 V728 | D721-Q724 WeakPolarHBondContact O-CB 3.38Å; D721-Q724 PolarHBondContact O-N 3.5Å; D721-Q724 VanDerWaalsContact O-N 3.1Å; Q724-A727 PolarHBondContact O-N 3Å; Q724-V728 WeakPolarHBondContact O-CG2 3.19Å; Q724-V728 PolarHBondContact O-N 2.96Å |
| 725 | L | 96.1 | Very high | 95 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 179.9 | -177.3 | 63.1 | 0 | 0 | 0 | 112.1 | Y43 L46 L253 F718 D721 A722 V728 L729 | Y43-L725 HydrophobicContact CD1-CD1 4.03Å; Y43-L725 HydrophobicContact CE1-CD1 4.09Å; Y43-L725 HydrophobicContact CE1-CD2 4.17Å; L46-L725 HydrophobicContact CD1-CD1 3.61Å; L46-L725 HydrophobicContact CD1-CD2 3.54Å; L46-L725 HydrophobicContact CD1-CG 3.93Å; L253-L725 HydrophobicContact CD2-CD1 3.68Å; F718-L725 HydrophobicContact CB-CD2 3.76Å; F718-L725 HydrophobicContact CD1-CD2 3.85Å; F718-L725 HydrophobicContact CD2-CD2 4.17Å; F718-L725 HydrophobicContact CE1-CD2 4.47Å; F718-L725 HydrophobicContact CG-CD2 3.67Å; D721-L725 WeakPolarHBondContact O-CB 3.18Å; D721-L725 PolarHBondContact O-N 2.66Å; A722-L725 PolarHBondContact O-N 3.22Å; L725-V728 WeakPolarHBondContact O-CB 3.35Å; L725-V728 PolarHBondContact O-N 3.42Å; L725-L729 WeakPolarHBondContact O-CG 3.36Å; L725-L729 PolarHBondContact O-N 2.84Å |
| 726 | E | 96.5 | Very high | 95 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 174.1 | -73.5 | 175.1 | -175.6 | 0 | 0 | 112.2 | V61 R65 R68 A722 V728 L729 L730 | V61-E726 HydrophobicContact CB-CG 4.44Å; V61-E726 HydrophobicContact CG1-CB 3.84Å; V61-E726 HydrophobicContact CG1-CG 3.82Å; V61-E726 HydrophobicContact CG2-CB 4.17Å; V61-E726 HydrophobicContact CG2-CG 4.14Å; R65-E726 WeakPolarHBondContact CG-OE1 3.42Å; R65-E726 VanDerWaalsContact CG-OE2 3.22Å; R65-E726 WeakPolarHBondContact CG-OE2 3.49Å; R65-E726 IonicContact CZ-OE2 3.52Å; R65-E726 IonicContact NE-OE2 2.76Å; R65-E726 PolarHBondContact NE-OE2 3.21Å; R65-E726 IonicContact NH2-OE2 2.68Å; R68-E726 IonicContact CZ-OE1 2.86Å; R68-E726 VanDerWaalsContact NH1-CD 3.35Å; R68-E726 IonicContact NH1-OE1 2.77Å; R68-E726 PolarHBondContact NH1-OE1 2.87Å; R68-E726 IonicContact NH1-OE2 3.5Å; R68-E726 IonicContact NH2-OE1 3.05Å; R68-E726 PolarHBondContact NH2-OE1 3.4Å; A722-E726 WeakPolarHBondContact O-CG 3.08Å; A722-E726 PolarHBondContact O-N 3.37Å; E726-V728 VanDerWaalsContact C-N 3.31Å; E726-V728 PolarHBondContact O-N 2.68Å; E726-L729 PolarHBondContact O-N 3.23Å; E726-L730 WeakPolarHBondContact O-CG 3.47Å; E726-L730 PolarHBondContact O-N 2.76Å |
| 727 | A | 97.4 | Very high | 94.8 | Very high | 55 Ų | 55 | 53 Ų | 53 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | E723 Q724 L730 D731 | E723-A727 PolarHBondContact O-N 2.72Å; E723-A727 VanDerWaalsContact O-N 3.12Å; Q724-A727 PolarHBondContact O-N 3Å; A727-L730 PolarHBondContact O-N 2.83Å; A727-D731 WeakPolarHBondContact O-CB 3.48Å; A727-D731 PolarHBondContact O-N 2.84Å |
| 728 | V | 98 | Very high | 94.6 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 17% | 0.17 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58 | -48.9 | 174.3 | 162.3 | 0 | 0 | 0 | 0 | 111.4 | P252 L253 Q724 L725 E726 L730 D731 L732 | P252-V728 HydrophobicContact CB-CG1 3.69Å; P252-V728 HydrophobicContact CB-CG2 3.95Å; P252-V728 HydrophobicContact CG-CG1 4.19Å; L253-V728 HydrophobicContact CD2-CG1 4.1Å; L253-V728 HydrophobicContact CG-CG1 4.24Å; Q724-V728 WeakPolarHBondContact O-CG2 3.19Å; Q724-V728 PolarHBondContact O-N 2.96Å; L725-V728 WeakPolarHBondContact O-CB 3.35Å; L725-V728 PolarHBondContact O-N 3.42Å; E726-V728 VanDerWaalsContact C-N 3.31Å; E726-V728 PolarHBondContact O-N 2.68Å; V728-L730 PolarHBondContact O-N 2.9Å; V728-D731 PolarHBondContact O-N 2.78Å; V728-L732 HydrophobicContact CG1-CD1 3.84Å; V728-L732 HydrophobicContact CG1-CG 4.43Å; V728-L732 WeakPolarHBondContact O-CB 3.22Å; V728-L732 WeakPolarHBondContact O-CG 3.42Å; V728-L732 PolarHBondContact O-N 2.85Å |
| 729 | L | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -41.6 | -179.1 | -73.1 | 172.1 | 0 | 0 | 0 | 112 | L46 L49 F60 V61 L253 L725 E726 N733 | L46-L729 HydrophobicContact CB-CD2 4.32Å; L49-L729 HydrophobicContact CD1-CD1 4.21Å; L49-L729 HydrophobicContact CD1-CD2 4.4Å; F60-L729 HydrophobicContact CD1-CD1 3.82Å; F60-L729 HydrophobicContact CE1-CD1 3.95Å; V61-L729 HydrophobicContact CG2-CB 4.05Å; V61-L729 HydrophobicContact CG2-CD1 4.18Å; L253-L729 HydrophobicContact CD1-CD2 4.12Å; L725-L729 WeakPolarHBondContact O-CG 3.36Å; L725-L729 PolarHBondContact O-N 2.84Å; E726-L729 PolarHBondContact O-N 3.23Å; L729-N733 VanDerWaalsContact O-CB 3.32Å; L729-N733 WeakPolarHBondContact O-CB 3.42Å; L729-N733 PolarHBondContact O-N 2.79Å |
| 730 | L | 97.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 54.5 Ų | 54.5 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 177.4 | -66.3 | 179.2 | 0 | 0 | 0 | 112.3 | N58 V61 L143 E726 A727 V728 K734 | N58-L730 WeakPolarHBondContact OD1-CD2 3.33Å; V61-L730 HydrophobicContact CB-CD2 4.15Å; V61-L730 HydrophobicContact CB-CG 4.46Å; V61-L730 HydrophobicContact CG1-CD1 4.02Å; V61-L730 HydrophobicContact CG1-CD2 4.19Å; V61-L730 HydrophobicContact CG1-CG 4.15Å; V61-L730 HydrophobicContact CG2-CD2 4.17Å; V61-L730 HydrophobicContact CG2-CG 4.21Å; L143-L730 HydrophobicContact CD1-CD2 3.62Å; E726-L730 WeakPolarHBondContact O-CG 3.47Å; E726-L730 PolarHBondContact O-N 2.76Å; A727-L730 PolarHBondContact O-N 2.83Å; V728-L730 PolarHBondContact O-N 2.9Å; L730-K734 WeakPolarHBondContact O-CB 3.22Å; L730-K734 PolarHBondContact O-N 2.89Å |
| 731 | D | 97.9 | Very high | 94.1 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.1 | -44.6 | 179.2 | -171.5 | 63.8 | 0 | 0 | 0 | 112.4 | A727 V728 N733 K734 T735 | A727-D731 WeakPolarHBondContact O-CB 3.48Å; A727-D731 PolarHBondContact O-N 2.84Å; V728-D731 PolarHBondContact O-N 2.78Å; D731-N733 VanDerWaalsContact C-N 3.34Å; D731-N733 PolarHBondContact O-N 2.76Å; D731-K734 PolarHBondContact O-N 2.81Å; D731-T735 WeakPolarHBondContact O-CB 3.39Å; D731-T735 PolarHBondContact O-N 2.81Å; D731-T735 PolarHBondContact O-OG1 3.14Å |
| 732 | L | 97.3 | Very high | 94.2 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 13% | 0.131 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 173.6 | -72.4 | 173.1 | 0 | 0 | 0 | 110.9 | L50 L253 V728 T735 D736 | L50-L732 HydrophobicContact CD1-CB 3.94Å; L50-L732 HydrophobicContact CD1-CD1 3.82Å; L50-L732 HydrophobicContact CD1-CG 4.49Å; L50-L732 HydrophobicContact CD2-CB 4.42Å; L253-L732 HydrophobicContact CD1-CD1 4.2Å; L253-L732 HydrophobicContact CG-CD1 4.25Å; V728-L732 HydrophobicContact CG1-CD1 3.84Å; V728-L732 HydrophobicContact CG1-CG 4.43Å; V728-L732 WeakPolarHBondContact O-CB 3.22Å; V728-L732 WeakPolarHBondContact O-CG 3.42Å; V728-L732 PolarHBondContact O-N 2.85Å; L732-T735 PolarHBondContact O-N 2.88Å; L732-D736 PolarHBondContact O-N 3.22Å |
| 733 | N | 95.1 | Very high | 94.2 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 6% | 0.064 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 179.7 | -165.6 | 37.7 | 0 | 0 | 0 | 112.2 | L50 P54 A57 N58 L729 D731 T735 D736 A737 | L50-N733 HydrophobicContact CD2-CB 4.11Å; P54-N733 PolarHBondContact O-ND2 3.25Å; P54-N733 PolarHBondContact O-OD1 3.11Å; P54-N733 VanDerWaalsContact O-OD1 3.07Å; A57-N733 HydrophobicContact CB-CB 4.09Å; N58-N733 VanDerWaalsContact CG-ND2 3.32Å; N58-N733 PolarHBondContact ND2-ND2 3.3Å; N58-N733 PolarHBondContact OD1-ND2 2.88Å; L729-N733 VanDerWaalsContact O-CB 3.32Å; L729-N733 WeakPolarHBondContact O-CB 3.42Å; L729-N733 PolarHBondContact O-N 2.79Å; D731-N733 VanDerWaalsContact C-N 3.34Å; D731-N733 PolarHBondContact O-N 2.76Å; N733-T735 VanDerWaalsContact C-N 3.31Å; N733-T735 PolarHBondContact O-N 2.91Å; N733-D736 PolarHBondContact O-N 2.63Å; N733-A737 PolarHBondContact O-N 3.17Å |
| 734 | K | 95.4 | Very high | 94.3 | Very high | 166 Ų | 166 | 56.5 Ų | 56.5 | 72% | 0.722 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.8 | -37.6 | 178.3 | -177.5 | -178.7 | 177.4 | -174.6 | 0 | 112.4 | L730 D731 D736 A737 | L730-K734 WeakPolarHBondContact O-CB 3.22Å; L730-K734 PolarHBondContact O-N 2.89Å; D731-K734 PolarHBondContact O-N 2.81Å; K734-D736 VanDerWaalsContact C-N 3.27Å; K734-D736 PolarHBondContact O-N 3.48Å; K734-A737 PolarHBondContact O-N 3Å |
| 735 | T | 94.8 | Very high | 94.2 | Very high | 88 Ų | 88 | 53.1 Ų | 53.1 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 180 | -65 | 0 | 0 | 0 | 0 | 112 | D731 L732 N733 | D731-T735 WeakPolarHBondContact O-CB 3.39Å; D731-T735 PolarHBondContact O-N 2.81Å; D731-T735 PolarHBondContact O-OG1 3.14Å; L732-T735 PolarHBondContact O-N 2.88Å; N733-T735 VanDerWaalsContact C-N 3.31Å; N733-T735 PolarHBondContact O-N 2.91Å |
| 736 | D | 95.4 | Very high | 94 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.059 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -98.8 | -6.4 | -177.2 | -71.9 | -26.1 | 0 | 0 | 0 | 114 | R199 R214 L732 N733 K734 C738 Y739 W740 | R199-D736 IonicContact CZ-OD2 2.84Å; R199-D736 IonicContact NH1-OD2 2.79Å; R199-D736 IonicContact NH2-OD2 3.5Å; R199-D736 PolarHBondContact NH2-OD2 3.28Å; R214-D736 IonicContact CZ-OD1 3.64Å; R214-D736 VanDerWaalsContact NH1-CG 3.27Å; R214-D736 IonicContact NH1-OD1 3.17Å; R214-D736 PolarHBondContact NH1-OD1 2.8Å; R214-D736 IonicContact NH1-OD2 3.29Å; R214-D736 PolarHBondContact NH1-OD2 3.4Å; R214-D736 IonicContact NH2-OD1 3.27Å; R214-D736 PolarHBondContact NH2-OD1 3.11Å; L732-D736 PolarHBondContact O-N 3.22Å; N733-D736 PolarHBondContact O-N 2.63Å; K734-D736 VanDerWaalsContact C-N 3.27Å; K734-D736 PolarHBondContact O-N 3.48Å; D736-C738 PolarHBondContact O-N 3.19Å; D736-Y739 HydrophobicContact CB-CD2 3.92Å; D736-Y739 HydrophobicContact CB-CE2 4.34Å; D736-Y739 WeakPolarHBondContact O-CB 3.36Å; D736-Y739 WeakPolarHBondContact O-CD2 3.34Å; D736-Y739 PolarHBondContact O-N 3.08Å; D736-Y739 WeakPolarHBondContact OD1-CE2 3.4Å; D736-W740 HydrophobicContact CB-CH2 3.99Å; D736-W740 HydrophobicContact CB-CZ3 3.59Å; D736-W740 WeakPolarHBondContact O-CZ3 3.19Å |
| 737 | A | 91.7 | Very high | 93.9 | Very high | 39 Ų | 39 | 59 Ų | 59 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -50.5 | -34.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N733 K734 Y739 W740 C741 | N733-A737 PolarHBondContact O-N 3.17Å; K734-A737 PolarHBondContact O-N 3Å; A737-Y739 PolarHBondContact O-N 2.97Å; A737-Y739 VanDerWaalsContact O-N 3.08Å; A737-W740 PolarHBondContact O-N 3.35Å; A737-C741 PolarHBondContact O-SG 3.03Å |
| 738 | C | 92.3 | Very high | 93.6 | Very high | 84 Ų | 84 | 59.3 Ų | 59.3 | 57% | 0.568 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -63.5 | -13.7 | -179.5 | 65.7 | 0 | 0 | 0 | 0 | 114.9 | D736 | D736-C738 PolarHBondContact O-N 3.19Š|
| 739 | Y | 95.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 61.7 Ų | 61.7 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -81.8 | -12.4 | 179.7 | -67.4 | -60.1 | 0 | 0 | 0 | 114.5 | G174 F201 R203 R214 D736 A737 | G174-Y739 PolarHBondContact N-O 2.93Å; F201-Y739 HydrophobicContact CB-CD1 4.13Å; F201-Y739 HydrophobicContact CB-CE1 3.59Å; F201-Y739 HydrophobicContact CB-CE2 4.32Å; F201-Y739 AromaticContact CD1-CD1 3.87Å; F201-Y739 HydrophobicContact CD1-CD1 3.87Å; F201-Y739 AromaticContact CD1-CD2 3.34Å; F201-Y739 HydrophobicContact CD1-CD2 3.34Å; F201-Y739 AromaticContact CD1-CE1 3.89Å; F201-Y739 HydrophobicContact CD1-CE1 3.89Å; F201-Y739 AromaticContact CD1-CE2 3.33Å; F201-Y739 HydrophobicContact CD1-CE2 3.33Å; F201-Y739 AromaticContact CD1-CG 3.57Å; F201-Y739 HydrophobicContact CD1-CG 3.57Å; F201-Y739 AromaticContact CD1-CZ 3.56Å; F201-Y739 AromaticContact CE1-CD2 3.53Å; F201-Y739 HydrophobicContact CE1-CD2 3.53Å; F201-Y739 AromaticContact CE1-CE2 3.63Å; F201-Y739 HydrophobicContact CE1-CE2 3.63Å; F201-Y739 HydrophobicContact CE1-CG 4.13Å; F201-Y739 HydrophobicContact CG-CD1 4.4Å; F201-Y739 HydrophobicContact CG-CD2 4.25Å; F201-Y739 HydrophobicContact CG-CE1 4.01Å; F201-Y739 AromaticContact CG-CE2 3.82Å; F201-Y739 HydrophobicContact CG-CE2 3.82Å; F201-Y739 HydrophobicContact CG-CG 4.48Å; F201-Y739 AromaticContact CG-CZ 3.62Å; F201-Y739 HydrophobicContact CZ-CE2 4.33Å; R203-Y739 HydrophobicContact CG-CE1 3.98Å; R203-Y739 VanDerWaalsContact CZ-OH 3.24Å; R203-Y739 PolarHBondContact NE-OH 2.82Å; R203-Y739 PolarHBondContact NH2-OH 2.87Å; R214-Y739 PolarHBondContact NH2-OH 3.18Å; D736-Y739 HydrophobicContact CB-CD2 3.92Å; D736-Y739 HydrophobicContact CB-CE2 4.34Å; D736-Y739 WeakPolarHBondContact O-CB 3.36Å; D736-Y739 WeakPolarHBondContact O-CD2 3.34Å; D736-Y739 PolarHBondContact O-N 3.08Å; D736-Y739 WeakPolarHBondContact OD1-CE2 3.4Å; A737-Y739 PolarHBondContact O-N 2.97Å; A737-Y739 VanDerWaalsContact O-N 3.08Å |
| 740 | W | 92.8 | Very high | 92.9 | Very high | 50 Ų | 50 | 66.8 Ų | 66.8 | 19% | 0.189 | 38% | 0.379 | C | S | . | . | trans | -125.3 | 7.3 | -179.9 | -57.9 | -83.9 | 0 | 0 | 0 | 113.5 | P54 T169 T170 F172 F201 D736 A737 | P54-W740 HydrophobicContact CB-CB 4.42Å; P54-W740 HydrophobicContact CB-CE3 4.48Å; P54-W740 HydrophobicContact CG-CB 3.72Å; P54-W740 HydrophobicContact CG-CD2 3.94Å; P54-W740 HydrophobicContact CG-CE3 4.26Å; P54-W740 HydrophobicContact CG-CG 3.67Å; T169-W740 PolarHBondContact O-NE1 3.23Å; T170-W740 HydrophobicContact CG2-CD2 4.4Å; T170-W740 HydrophobicContact CG2-CH2 4.31Å; T170-W740 HydrophobicContact CG2-CZ2 3.84Å; F172-W740 PolarHBondContact O-NE1 3.46Å; F201-W740 AromaticContact CE1-CH2 3.99Å; F201-W740 HydrophobicContact CE1-CH2 3.99Å; F201-W740 HydrophobicContact CE1-CZ2 4.24Å; D736-W740 HydrophobicContact CB-CH2 3.99Å; D736-W740 HydrophobicContact CB-CZ3 3.59Å; D736-W740 WeakPolarHBondContact O-CZ3 3.19Å; A737-W740 PolarHBondContact O-N 3.35Å | ||
| 741 | C | 69.4 | Low | 92.5 | Very high | 166 Ų | 166 | 69 Ų | 69 | 100% | 1.122 | 39% | 0.393 | S | S | * | . | trans | -76 | 0 | 174.3 | -69.5 | 0 | 0 | 0 | 0 | 113.2 | A737 | A737-C741 PolarHBondContact O-SG 3.03Š|
Retrieved 741 of 741 residues in 517.9 ms
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