| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 61.1 | Low | 85.9 | Confident | 78 Ų | 78 | 72.9 Ų | 72.9 | 38% | 0.384 | 33% | 0.332 | S | S | . | . | 0 | 132.3 | 0 | -160.5 | 177.1 | -70.9 | 0 | 0 | 108.8 | I239 L295 | M1-I239 HydrophobicContact CE-CD1 4.08Å; M1-I239 HydrophobicContact CE-CG2 3.58Å; M1-I239 HydrophobicContact SD-CD1 4.07Å; M1-L295 HydrophobicContact SD-CB 3.93Å; M1-L295 HydrophobicContact SD-CD2 4.33Å | |||
| 2 | D | 68.4 | Low | 86.8 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | trans | -77.6 | 118.5 | 175.6 | -176.5 | 11.5 | 0 | 0 | 0 | 109 | K4 G296 | D2-K4 WeakPolarHBondContact OD2-CE 3.5Å; D2-K4 IonicContact OD2-NZ 3.94Å; D2-G296 WeakPolarHBondContact O-CA 3.49Å; D2-G296 PolarHBondContact O-N 2.68Å | ||
| 3 | V | 80.8 | Confident | 87.7 | Confident | 38 Ų | 38 | 74 Ų | 74 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.2 | -178.4 | -178 | 0 | 0 | 0 | 0 | 108.6 | I251 L263 I293 K294 L295 | V3-I251 HydrophobicContact CG2-CD1 4.34Å; V3-L263 HydrophobicContact CG1-CD1 4.19Å; V3-I293 HydrophobicContact CG1-CB 4.07Å; V3-I293 HydrophobicContact CG1-CD1 4.1Å; V3-I293 HydrophobicContact CG1-CG2 4.39Å; V3-K294 WeakPolarHBondContact CA-O 3.26Å; V3-L295 HydrophobicContact CG1-CD2 4.14Å; V3-L295 HydrophobicContact CG2-CD2 3.84Å |
| 4 | K | 83.1 | Confident | 88.5 | Confident | 122 Ų | 122 | 68.7 Ų | 68.7 | 53% | 0.53 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.3 | 179.8 | -65.1 | -168.6 | -178.2 | -174.4 | 0 | 111.4 | D2 I293 K294 | D2-K4 WeakPolarHBondContact OD2-CE 3.5Å; D2-K4 IonicContact OD2-NZ 3.94Å; K4-I293 CarbonylContact O-C 3.49Å; K4-I293 WeakPolarHBondContact O-CA 3.16Å; K4-K294 PolarHBondContact N-O 3.12Å; K4-K294 PolarHBondContact O-N 2.77Å |
| 5 | R | 88.8 | Confident | 89.1 | Confident | 151 Ų | 151 | 66.1 Ų | 66.1 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 125.2 | 171.4 | -171.1 | 178.1 | 70.1 | -168.9 | -0.8 | 109.8 | I291 | R5-I291 HydrophobicContact CG-CG2 4.21Å |
| 6 | K | 88.6 | Confident | 89.7 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 30% | 0.296 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -42.7 | 176.8 | -79.1 | -76.7 | -169.7 | 160.8 | 0 | 112.3 | I292 K294 | K6-I292 HydrophobicContact CB-CB 4.29Å; K6-I292 HydrophobicContact CB-CG2 4.01Å; K6-I292 PolarHBondContact N-O 3.38Å; K6-K294 HydrophobicContact CG-CB 3.95Å |
| 7 | L | 93.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143.4 | 179.9 | 178.9 | 66.4 | 0 | 0 | 0 | 110 | A9 M26 W38 Q43 I291 I292 | L7-A9 HydrophobicContact CD2-CB 4.4Å; L7-A9 HydrophobicContact CG-CB 4.35Å; L7-M26 HydrophobicContact CD2-CE 3.61Å; L7-W38 HydrophobicContact CD2-CB 3.82Å; L7-W38 HydrophobicContact CD2-CG 4.29Å; L7-Q43 HydrophobicContact CD1-CB 4.11Å; L7-Q43 HydrophobicContact CD1-CG 4.24Å; L7-I291 WeakPolarHBondContact O-CA 3.5Å; L7-I292 HydrophobicContact CB-CB 4.08Å; L7-I292 HydrophobicContact CB-CG1 4.3Å; L7-I292 HydrophobicContact CD2-CD1 4.42Å; L7-I292 PolarHBondContact N-O 2.95Å; L7-I292 PolarHBondContact O-N 3.3Å |
| 8 | L | 94.9 | Very high | 90.6 | Very high | 70 Ų | 70 | 56.1 Ų | 56.1 | 37% | 0.366 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 112.8 | 163.7 | 172.5 | 66.6 | 0 | 0 | 0 | 106.9 | L267 I291 | L8-L267 HydrophobicContact CD1-CD1 3.69Å; L8-L267 HydrophobicContact CD1-CD2 4.24Å; L8-L267 HydrophobicContact CD1-CG 4.33Å; L8-I291 HydrophobicContact CD1-CD1 3.69Å; L8-I291 HydrophobicContact CD1-CG1 3.45Å; L8-I291 VanDerWaalsContact CD1-CG1 3.45Å |
| 9 | A | 95 | Very high | 91 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 109.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | L7 W38 G289 S290 | L7-A9 HydrophobicContact CD2-CB 4.4Å; L7-A9 HydrophobicContact CG-CB 4.35Å; A9-W38 HydrophobicContact CB-CD2 3.84Å; A9-W38 HydrophobicContact CB-CE3 4.13Å; A9-W38 HydrophobicContact CB-CG 4.42Å; A9-W38 HydrophobicContact CB-CH2 4.04Å; A9-W38 HydrophobicContact CB-CZ2 3.74Å; A9-W38 HydrophobicContact CB-CZ3 4.22Å; A9-G289 CarbonylContact O-C 3.57Å; A9-G289 WeakPolarHBondContact O-CA 3.26Å; A9-S290 PolarHBondContact N-O 3.12Å; A9-S290 PolarHBondContact O-N 3.25Å |
| 10 | R | 95.3 | Very high | 91.2 | Very high | 165 Ų | 165 | 50.9 Ų | 50.9 | 62% | 0.623 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 134.6 | 173.6 | -74.7 | -174.6 | 173.8 | -102.3 | -1.7 | 109.7 | E288 | R10-E288 WeakPolarHBondContact CA-O 3.11Å; R10-E288 IonicContact CZ-OE2 3.45Å; R10-E288 IonicContact NH1-OE2 2.62Å; R10-E288 PolarHBondContact NH1-OE2 3.15Å |
| 11 | S | 95.9 | Very high | 91.1 | Very high | 29 Ų | 29 | 51 Ų | 51 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | trans | -157.1 | -178.8 | 175.1 | 66.3 | 0 | 0 | 0 | 0 | 108.9 | E288 G289 | S11-E288 PolarHBondContact N-O 3.26Å; S11-E288 CarbonylContact O-C 3.51Å; S11-G289 PolarHBondContact O-N 3.23Å; S11-G289 WeakPolarHBondContact OG-CA 3.36Å | ||
| 12 | D | 97 | Very high | 92.5 | Very high | 92 Ų | 92 | 52.4 Ų | 52.4 | 49% | 0.492 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -59.1 | 167.9 | 160.7 | -74.3 | -33.8 | 0 | 0 | 0 | 111.3 | V14 N32 D287 | D12-V14 PolarHBondContact O-N 3.27Å; D12-N32 HydrophobicContact CB-CB 4.48Å; D12-N32 WeakPolarHBondContact OD2-CB 3.36Å; D12-N32 PolarHBondContact OD2-ND2 3.45Å; D12-D287 CarbonylContact C-O 3.56Å |
| 13 | R | 98.5 | Very high | 93.6 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -46.3 | 121.1 | -179.7 | 175.9 | -172.6 | -62.5 | 160.1 | 3.3 | 112.5 | K15 L30 Y31 Y286 D287 | R13-K15 HydrophobicContact CG-CD 3.73Å; R13-L30 CarbonylContact O-C 3.48Å; R13-L30 WeakPolarHBondContact O-CA 3.38Å; R13-Y31 WeakPolarHBondContact O-CB 3.49Å; R13-Y31 PolarHBondContact O-N 3.28Å; R13-Y286 WeakPolarHBondContact CA-O 3.38Å; R13-D287 WeakPolarHBondContact CA-O 3.36Å; R13-D287 WeakPolarHBondContact CD-OD1 3.42Å; R13-D287 WeakPolarHBondContact CG-OD1 3.28Å; R13-D287 IonicContact CZ-OD1 3.22Å; R13-D287 PolarHBondContact N-O 2.62Å; R13-D287 IonicContact NE-OD1 3.24Å; R13-D287 PolarHBondContact NE-OD1 2.53Å; R13-D287 IonicContact NH2-OD1 2.61Å; R13-D287 PolarHBondContact NH2-OD1 3.13Å; R13-D287 IonicContact NH2-OD2 3.27Å |
| 14 | V | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 124.7 | 177.3 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | D12 S16 V17 C28 S29 L30 W271 Y286 G289 | D12-V14 PolarHBondContact O-N 3.27Å; V14-S16 WeakPolarHBondContact CG1-O 3.27Å; V14-V17 HydrophobicContact CG1-CG1 3.64Å; V14-C28 HydrophobicContact CG1-CB 4Å; V14-S29 CarbonylContact C-O 3.6Å; V14-S29 WeakPolarHBondContact CA-O 3.35Å; V14-L30 HydrophobicContact CB-CD2 4.34Å; V14-L30 HydrophobicContact CG2-CD2 3.63Å; V14-W271 WeakPolarHBondContact O-CB 3.03Å; V14-Y286 PolarHBondContact N-O 2.69Å; V14-G289 VanDerWaalsContact CG2-C 3.46Å; V14-G289 WeakPolarHBondContact CG2-O 2.88Å |
| 15 | K | 98.2 | Very high | 94.8 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 13% | 0.13 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -28.6 | -178.2 | -60.4 | -50.8 | -56.1 | 173.2 | 0 | 113.6 | R13 S29 Y31 R57 | R13-K15 HydrophobicContact CG-CD 3.73Å; K15-S29 PolarHBondContact N-O 3.33Å; K15-Y31 HydrophobicContact CD-CD2 4.02Å; K15-Y31 HydrophobicContact CG-CD2 4.13Å; K15-R57 CarbonylContact C-O 3.54Å |
| 16 | S | 98.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 41 Ų | 41 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 153.8 | 169.6 | 71.6 | 0 | 0 | 0 | 0 | 111.8 | V14 C28 S29 R57 V58 A59 | V14-S16 WeakPolarHBondContact CG1-O 3.27Å; S16-C28 WeakPolarHBondContact O-CA 3.41Å; S16-S29 PolarHBondContact N-OG 2.71Å; S16-S29 PolarHBondContact O-N 2.69Å; S16-S29 WeakPolarHBondContact OG-CB 3.41Å; S16-S29 PolarHBondContact OG-OG 2.71Å; S16-R57 WeakPolarHBondContact CB-O 3.36Å; S16-V58 WeakPolarHBondContact OG-CA 3.45Å; S16-A59 PolarHBondContact OG-N 2.95Å |
| 17 | V | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 150.6 | 169.9 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | V14 L27 K60 V272 A283 | V14-V17 HydrophobicContact CG1-CG1 3.64Å; V17-L27 WeakPolarHBondContact CA-O 3.22Å; V17-K60 PolarHBondContact O-NZ 3.33Å; V17-V272 HydrophobicContact CB-CG1 4.33Å; V17-V272 HydrophobicContact CG1-CG1 3.92Å; V17-V272 HydrophobicContact CG2-CG1 3.85Å; V17-V272 HydrophobicContact CG2-CG2 4.14Å; V17-A283 HydrophobicContact CB-CB 4.08Å; V17-A283 HydrophobicContact CG2-CB 3.78Å |
| 18 | D | 97.9 | Very high | 96 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 146.9 | 174.5 | -151.7 | 39.7 | 0 | 0 | 0 | 109.5 | M26 L27 K60 F61 Y274 | D18-M26 WeakPolarHBondContact O-CA 3.48Å; D18-L27 HydrophobicContact CB-CB 4.23Å; D18-L27 HydrophobicContact CB-CD2 4.39Å; D18-L27 PolarHBondContact N-O 3.43Å; D18-L27 PolarHBondContact O-N 3.11Å; D18-K60 HydrophobicContact CB-CD 4.05Å; D18-K60 WeakPolarHBondContact OD1-CD 3.33Å; D18-K60 IonicContact OD1-NZ 2.77Å; D18-K60 PolarHBondContact OD1-NZ 3.23Å; D18-K60 WeakPolarHBondContact OD2-CA 3.18Å; D18-K60 WeakPolarHBondContact OD2-CD 3.48Å; D18-F61 HydrophobicContact CB-CD2 4.34Å; D18-F61 PolarHBondContact OD2-N 3.39Å; D18-Y274 VanDerWaalsContact OD1-CE2 3.24Å; D18-Y274 WeakPolarHBondContact OD1-CE2 3.34Å; D18-Y274 VanDerWaalsContact OD1-CZ 3.29Å |
| 19 | L | 96.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.7 | 178.4 | -63.6 | 174.5 | 0 | 0 | 0 | 110.5 | W25 M26 Y40 Y274 L276 T281 A283 I292 | L19-W25 WeakPolarHBondContact CA-O 3.48Å; L19-M26 HydrophobicContact CD2-CB 3.71Å; L19-M26 HydrophobicContact CD2-CG 4.06Å; L19-Y40 HydrophobicContact CD2-CD1 4.46Å; L19-Y40 HydrophobicContact CD2-CE1 4.02Å; L19-Y274 HydrophobicContact CB-CD1 3.96Å; L19-Y274 HydrophobicContact CB-CE1 3.81Å; L19-Y274 HydrophobicContact CD1-CD1 4.05Å; L19-Y274 HydrophobicContact CD1-CE1 4.49Å; L19-Y274 HydrophobicContact CG-CD1 3.79Å; L19-Y274 HydrophobicContact CG-CE1 4.18Å; L19-L276 HydrophobicContact CB-CB 4.19Å; L19-L276 HydrophobicContact CB-CD2 4.12Å; L19-L276 HydrophobicContact CD1-CB 3.94Å; L19-T281 HydrophobicContact CD1-CG2 4.08Å; L19-A283 HydrophobicContact CD1-CB 4.3Å; L19-A283 HydrophobicContact CD2-CB 3.97Å; L19-A283 HydrophobicContact CG-CB 4.12Å; L19-I292 HydrophobicContact CD2-CD1 4.01Å |
| 20 | H | 96 | Very high | 96.3 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | trans | -72.9 | 134.8 | 172 | -163.7 | -87.4 | 0 | 0 | 0 | 109.4 | T22 E23 W25 F61 Y82 | H20-T22 VanDerWaalsContact C-N 3.31Å; H20-T22 PolarHBondContact CE1-OG1 3.22Å; H20-T22 PolarHBondContact ND1-N 3.34Å; H20-T22 PolarHBondContact ND1-OG1 2.61Å; H20-T22 PolarHBondContact O-N 3.19Å; H20-E23 HydrophobicContact CB-CB 4.09Å; H20-E23 WeakPolarHBondContact ND1-CB 3.39Å; H20-E23 WeakPolarHBondContact ND1-CG 3.12Å; H20-E23 PolarHBondContact ND1-N 3.19Å; H20-W25 HydrophobicContact CB-CB 3.99Å; H20-W25 PolarHBondContact N-O 3.4Å; H20-F61 HydrophobicContact CB-CD2 4.21Å; H20-F61 HydrophobicContact CB-CE2 3.91Å; H20-F61 HydrophobicContact CB-CZ 4.3Å; H20-Y82 AromaticContact NE2-CZ 3.73Å; H20-Y82 PolarHBondContact NE2-OH 2.81Å; H20-Y82 VanDerWaalsContact NE2-OH 3.09Å | ||
| 21 | P | 89.7 | Confident | 96.4 | Very high | 54 Ų | 54 | 30.9 Ų | 30.9 | 35% | 0.351 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -72.7 | -19.8 | -173.2 | 27.4 | -35.3 | 0 | 0 | 0 | 114.7 | V63 L276 | P21-V63 VanDerWaalsContact CD-CG2 3.41Å; P21-V63 HydrophobicContact CG-CB 4.36Å; P21-V63 HydrophobicContact CG-CG1 4.16Å; P21-V63 HydrophobicContact CG-CG2 3.67Å; P21-L276 HydrophobicContact CB-CD1 4.45Å |
| 22 | T | 89.1 | Confident | 96.5 | Very high | 108 Ų | 108 | 32 Ų | 32 | 66% | 0.663 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -124.5 | -20 | -176.5 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | H20 | H20-T22 VanDerWaalsContact C-N 3.31Å; H20-T22 PolarHBondContact CE1-OG1 3.22Å; H20-T22 PolarHBondContact ND1-N 3.34Å; H20-T22 PolarHBondContact ND1-OG1 2.61Å; H20-T22 PolarHBondContact O-N 3.19Å |
| 23 | E | 92.5 | Very high | 96.5 | Very high | 85 Ų | 85 | 27.6 Ų | 27.6 | 40% | 0.397 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -106.7 | 146.3 | -178.9 | -65.3 | -64.9 | 153.8 | 0 | 0 | 106.3 | H20 W25 | H20-E23 HydrophobicContact CB-CB 4.09Å; H20-E23 WeakPolarHBondContact ND1-CB 3.39Å; H20-E23 WeakPolarHBondContact ND1-CG 3.12Å; H20-E23 PolarHBondContact ND1-N 3.19Å; E23-W25 HydrophobicContact CB-CB 4.31Å; E23-W25 HydrophobicContact CB-CD2 3.77Å; E23-W25 HydrophobicContact CB-CE3 4.19Å; E23-W25 HydrophobicContact CB-CG 3.83Å; E23-W25 HydrophobicContact CG-CD2 4.34Å; E23-W25 HydrophobicContact CG-CE3 4.42Å; E23-W25 PolarHBondContact O-N 2.99Å |
| 24 | P | 92.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 26.1 Ų | 26.1 | 13% | 0.13 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -75.5 | 51 | 178.7 | 32.1 | -36 | 0 | 0 | 0 | 111.5 | N39 Y40 E41 | P24-N39 CarbonylContact O-C 3.58Å; P24-N39 VanDerWaalsContact O-CA 3.24Å; P24-N39 WeakPolarHBondContact O-CA 3.26Å; P24-N39 PolarHBondContact O-OD1 2.81Å; P24-Y40 WeakPolarHBondContact CA-OH 3.37Å; P24-Y40 HydrophobicContact CB-CD2 4.23Å; P24-Y40 HydrophobicContact CB-CE1 4.33Å; P24-Y40 HydrophobicContact CB-CE2 3.78Å; P24-Y40 WeakPolarHBondContact O-CD1 3.46Å; P24-Y40 VanDerWaalsContact O-CE1 3.3Å; P24-Y40 WeakPolarHBondContact O-CE1 3.45Å; P24-Y40 PolarHBondContact O-N 3.49Å; P24-E41 HydrophobicContact CB-CB 4.13Å; P24-E41 HydrophobicContact CB-CG 3.64Å; P24-E41 HydrophobicContact CG-CB 4.43Å; P24-E41 HydrophobicContact CG-CG 4.34Å |
| 25 | W | 96.5 | Very high | 96.5 | Very high | 36 Ų | 36 | 26.3 Ų | 26.3 | 14% | 0.136 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136.8 | -171.6 | -66.4 | -2.4 | 0 | 0 | 0 | 112.4 | L19 H20 E23 T37 W38 Y40 V46 Y82 | L19-W25 WeakPolarHBondContact CA-O 3.48Å; H20-W25 HydrophobicContact CB-CB 3.99Å; H20-W25 PolarHBondContact N-O 3.4Å; E23-W25 HydrophobicContact CB-CB 4.31Å; E23-W25 HydrophobicContact CB-CD2 3.77Å; E23-W25 HydrophobicContact CB-CE3 4.19Å; E23-W25 HydrophobicContact CB-CG 3.83Å; E23-W25 HydrophobicContact CG-CD2 4.34Å; E23-W25 HydrophobicContact CG-CE3 4.42Å; E23-W25 PolarHBondContact O-N 2.99Å; W25-T37 HydrophobicContact CB-CG2 3.89Å; W25-T37 HydrophobicContact CD2-CG2 4.03Å; W25-T37 HydrophobicContact CE3-CG2 3.98Å; W25-T37 HydrophobicContact CG-CG2 4.02Å; W25-W38 CarbonylContact C-O 3.57Å; W25-W38 WeakPolarHBondContact CA-O 3.3Å; W25-Y40 VanDerWaalsContact N-CE1 3.34Å; W25-V46 HydrophobicContact CZ2-CG1 4.11Å; W25-Y82 AromaticContact CZ3-CD2 3.98Å; W25-Y82 HydrophobicContact CZ3-CD2 3.98Å; W25-Y82 HydrophobicContact CZ3-CE2 4.16Å |
| 26 | M | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.3 | 168.4 | 175.2 | -178.7 | 67.2 | 0 | 0 | 109.7 | L7 D18 L19 T37 W38 Y40 A283 S290 I292 | L7-M26 HydrophobicContact CD2-CE 3.61Å; D18-M26 WeakPolarHBondContact O-CA 3.48Å; L19-M26 HydrophobicContact CD2-CB 3.71Å; L19-M26 HydrophobicContact CD2-CG 4.06Å; M26-T37 CarbonylContact O-C 3.52Å; M26-T37 WeakPolarHBondContact O-CA 3.13Å; M26-W38 HydrophobicContact CE-CB 4.28Å; M26-W38 HydrophobicContact CE-CG 4.39Å; M26-W38 PolarHBondContact N-O 3.13Å; M26-W38 PolarHBondContact O-N 3.33Å; M26-Y40 HydrophobicContact CB-CD1 4.28Å; M26-A283 HydrophobicContact CG-CB 4.27Å; M26-A283 HydrophobicContact SD-CB 3.82Å; M26-S290 WeakPolarHBondContact CE-OG 3.5Å; M26-I292 HydrophobicContact CB-CD1 3.65Å; M26-I292 HydrophobicContact CE-CD1 4.27Å; M26-I292 HydrophobicContact CE-CG1 4.12Å; M26-I292 HydrophobicContact CG-CD1 4.16Å; M26-I292 HydrophobicContact SD-CD1 3.67Å; M26-I292 HydrophobicContact SD-CG1 3.45Å; M26-I292 WeakPolarHBondContact SD-CG1 3.39Å |
| 27 | L | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 135.4 | 170.9 | -171.8 | 69.9 | 0 | 0 | 0 | 109.2 | V17 D18 V35 H36 T37 A59 F61 V68 | V17-L27 WeakPolarHBondContact CA-O 3.22Å; D18-L27 HydrophobicContact CB-CB 4.23Å; D18-L27 HydrophobicContact CB-CD2 4.39Å; D18-L27 PolarHBondContact N-O 3.43Å; D18-L27 PolarHBondContact O-N 3.11Å; L27-V35 HydrophobicContact CD1-CG1 3.38Å; L27-V35 HydrophobicContact CG-CG1 4.04Å; L27-H36 CarbonylContact C-O 3.55Å; L27-H36 WeakPolarHBondContact CA-O 3.48Å; L27-T37 WeakPolarHBondContact CD1-OG1 3.36Å; L27-A59 HydrophobicContact CD2-CB 3.73Å; L27-A59 HydrophobicContact CG-CB 4.17Å; L27-F61 HydrophobicContact CB-CD2 4.17Å; L27-F61 HydrophobicContact CB-CE2 3.54Å; L27-F61 HydrophobicContact CB-CZ 3.87Å; L27-F61 HydrophobicContact CD1-CZ 4.3Å; L27-F61 HydrophobicContact CD2-CD2 4.32Å; L27-F61 HydrophobicContact CD2-CE2 4.32Å; L27-F61 HydrophobicContact CD2-CG 4.49Å; L27-F61 HydrophobicContact CD2-CZ 4.46Å; L27-F61 HydrophobicContact CG-CE2 4.44Å; L27-F61 HydrophobicContact CG-CZ 4.47Å; L27-V68 HydrophobicContact CD1-CG1 4.25Å; L27-V68 HydrophobicContact CD1-CG2 3.91Å; L27-V68 HydrophobicContact CD2-CB 4.45Å; L27-V68 HydrophobicContact CD2-CG1 3.73Å; L27-V68 HydrophobicContact CD2-CG2 3.89Å |
| 28 | C | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 127.7 | 175.7 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | V14 S16 L30 V35 H36 | V14-C28 HydrophobicContact CG1-CB 4Å; S16-C28 WeakPolarHBondContact O-CA 3.41Å; C28-L30 HydrophobicContact CB-CD2 4.38Å; C28-V35 CarbonylContact O-C 3.51Å; C28-V35 VanDerWaalsContact O-CA 3.3Å; C28-V35 WeakPolarHBondContact O-CA 3.22Å; C28-H36 PolarHBondContact N-O 2.94Å; C28-H36 PolarHBondContact O-N 3.15Å |
| 29 | S | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.5 | 167.9 | 79.8 | 0 | 0 | 0 | 0 | 110.6 | V14 K15 S16 V56 | V14-S29 CarbonylContact C-O 3.6Å; V14-S29 WeakPolarHBondContact CA-O 3.35Å; K15-S29 PolarHBondContact N-O 3.33Å; S16-S29 PolarHBondContact N-OG 2.71Å; S16-S29 PolarHBondContact O-N 2.69Å; S16-S29 WeakPolarHBondContact OG-CB 3.41Å; S16-S29 PolarHBondContact OG-OG 2.71Å; S29-V56 VanDerWaalsContact CB-O 3.26Å; S29-V56 WeakPolarHBondContact CB-O 3.48Å; S29-V56 PolarHBondContact OG-O 2.81Å |
| 30 | L | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 153.8 | -170.8 | -56.9 | -169.7 | 0 | 0 | 0 | 112.3 | R13 V14 C28 N32 G33 N34 H36 V56 | R13-L30 CarbonylContact O-C 3.48Å; R13-L30 WeakPolarHBondContact O-CA 3.38Å; V14-L30 HydrophobicContact CB-CD2 4.34Å; V14-L30 HydrophobicContact CG2-CD2 3.63Å; C28-L30 HydrophobicContact CB-CD2 4.38Å; L30-N32 WeakPolarHBondContact CB-OD1 3.32Å; L30-N32 PolarHBondContact O-N 3.44Å; L30-G33 PolarHBondContact O-N 2.8Å; L30-N34 WeakPolarHBondContact CB-O 3.29Å; L30-N34 HydrophobicContact CD1-CB 4.21Å; L30-N34 PolarHBondContact N-O 3.36Å; L30-H36 WeakPolarHBondContact CD1-NE2 3.31Å; L30-V56 PolarHBondContact O-N 3.17Å; L30-V56 VanDerWaalsContact O-N 3.1Å |
| 31 | Y | 97.9 | Very high | 95.9 | Very high | 99 Ų | 99 | 35.2 Ų | 35.2 | 39% | 0.388 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -19 | 177 | -164.8 | -102.2 | 0 | 0 | 0 | 113.2 | R13 K15 G33 P55 | R13-Y31 WeakPolarHBondContact O-CB 3.49Å; R13-Y31 PolarHBondContact O-N 3.28Å; K15-Y31 HydrophobicContact CD-CD2 4.02Å; K15-Y31 HydrophobicContact CG-CD2 4.13Å; Y31-G33 VanDerWaalsContact C-N 3.28Å; Y31-P55 HydrophobicContact CD1-CG 4.27Å; Y31-P55 HydrophobicContact CD2-CB 3.6Å; Y31-P55 HydrophobicContact CD2-CG 3.67Å; Y31-P55 HydrophobicContact CE1-CG 4.1Å; Y31-P55 HydrophobicContact CE2-CB 3.78Å; Y31-P55 HydrophobicContact CE2-CG 3.45Å; Y31-P55 VanDerWaalsContact CE2-CG 3.45Å; Y31-P55 HydrophobicContact CG-CB 4.17Å; Y31-P55 HydrophobicContact CG-CG 4.07Å; Y31-P55 VanDerWaalsContact O-CA 3.27Å; Y31-P55 WeakPolarHBondContact O-CA 3.25Å; Y31-P55 WeakPolarHBondContact O-CB 3.29Å; Y31-P55 VanDerWaalsContact O-CG 3.3Å; Y31-P55 WeakPolarHBondContact O-CG 3.4Å |
| 32 | N | 97.5 | Very high | 96 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 28% | 0.283 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -3.5 | 174.5 | 66.6 | 7.5 | 0 | 0 | 0 | 113.8 | D12 L30 N34 | D12-N32 HydrophobicContact CB-CB 4.48Å; D12-N32 WeakPolarHBondContact OD2-CB 3.36Å; D12-N32 PolarHBondContact OD2-ND2 3.45Å; L30-N32 WeakPolarHBondContact CB-OD1 3.32Å; L30-N32 PolarHBondContact O-N 3.44Å; N32-N34 VanDerWaalsContact OD1-CB 3.31Å; N32-N34 WeakPolarHBondContact OD1-CB 3.35Å; N32-N34 PolarHBondContact OD1-N 2.62Å |
| 33 | G | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 94.8 | 4.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | L30 Y31 V51 C52 Q54 | L30-G33 PolarHBondContact O-N 2.8Å; Y31-G33 VanDerWaalsContact C-N 3.28Å; G33-V51 WeakPolarHBondContact O-CB 3.36Å; G33-V51 PolarHBondContact O-N 3.1Å; G33-V51 VanDerWaalsContact O-N 3.08Å; G33-C52 CarbonylContact C-O 3.54Å; G33-C52 VanDerWaalsContact CA-O 3.26Å; G33-C52 WeakPolarHBondContact CA-O 3.39Å; G33-C52 PolarHBondContact O-N 3.37Å; G33-Q54 WeakPolarHBondContact CA-O 3.42Å |
| 34 | N | 97.9 | Very high | 96.3 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 19% | 0.193 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 158.8 | 173.4 | -66.1 | -34.6 | 0 | 0 | 0 | 112.5 | L30 N32 L49 E50 | L30-N34 WeakPolarHBondContact CB-O 3.29Å; L30-N34 HydrophobicContact CD1-CB 4.21Å; L30-N34 PolarHBondContact N-O 3.36Å; N32-N34 VanDerWaalsContact OD1-CB 3.31Å; N32-N34 WeakPolarHBondContact OD1-CB 3.35Å; N32-N34 PolarHBondContact OD1-N 2.62Å; N34-L49 CarbonylContact C-O 3.56Å; N34-L49 WeakPolarHBondContact CA-O 3.37Å; N34-E50 VanDerWaalsContact OD1-CA 3.29Å; N34-E50 WeakPolarHBondContact OD1-CA 3.45Å; N34-E50 WeakPolarHBondContact OD1-CB 3.39Å; N34-E50 WeakPolarHBondContact OD1-CG 3.29Å |
| 35 | V | 98.2 | Very high | 96.4 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131 | 168.8 | 175.3 | 0 | 0 | 0 | 0 | 108.8 | L27 C28 L49 V51 V56 A59 V68 T70 | L27-V35 HydrophobicContact CD1-CG1 3.38Å; L27-V35 HydrophobicContact CG-CG1 4.04Å; C28-V35 CarbonylContact O-C 3.51Å; C28-V35 VanDerWaalsContact O-CA 3.3Å; C28-V35 WeakPolarHBondContact O-CA 3.22Å; V35-L49 PolarHBondContact N-O 3.22Å; V35-L49 PolarHBondContact O-N 3.02Å; V35-V51 HydrophobicContact CB-CG2 4.14Å; V35-V51 HydrophobicContact CG2-CG2 3.61Å; V35-V56 HydrophobicContact CG2-CB 4.43Å; V35-V56 HydrophobicContact CG2-CG1 4.01Å; V35-V56 HydrophobicContact CG2-CG2 4.5Å; V35-A59 HydrophobicContact CG1-CB 4.23Å; V35-A59 HydrophobicContact CG2-CB 4.24Å; V35-V68 HydrophobicContact CG1-CG1 4.47Å; V35-T70 HydrophobicContact CG2-CG2 4.04Å |
| 36 | H | 97.6 | Very high | 96.3 | Very high | 24 Ų | 24 | 40.4 Ų | 40.4 | 11% | 0.111 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.7 | -177.9 | -70.7 | -14.9 | 0 | 0 | 0 | 110.8 | L27 C28 L30 L45 K47 S48 | L27-H36 CarbonylContact C-O 3.55Å; L27-H36 WeakPolarHBondContact CA-O 3.48Å; C28-H36 PolarHBondContact N-O 2.94Å; C28-H36 PolarHBondContact O-N 3.15Å; L30-H36 WeakPolarHBondContact CD1-NE2 3.31Å; H36-L45 HydrophobicContact CB-CD1 3.72Å; H36-K47 WeakPolarHBondContact CA-O 3.4Å; H36-S48 PolarHBondContact CE1-OG 2.85Å; H36-S48 PolarHBondContact ND1-OG 2.95Å |
| 37 | T | 97.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 116.6 | 171 | -52.2 | 0 | 0 | 0 | 0 | 108.6 | W25 M26 L27 V46 K47 F61 | W25-T37 HydrophobicContact CB-CG2 3.89Å; W25-T37 HydrophobicContact CD2-CG2 4.03Å; W25-T37 HydrophobicContact CE3-CG2 3.98Å; W25-T37 HydrophobicContact CG-CG2 4.02Å; M26-T37 CarbonylContact O-C 3.52Å; M26-T37 WeakPolarHBondContact O-CA 3.13Å; L27-T37 WeakPolarHBondContact CD1-OG1 3.36Å; T37-V46 WeakPolarHBondContact O-CA 3.37Å; T37-V46 WeakPolarHBondContact O-CB 3.28Å; T37-V46 PolarHBondContact O-N 2.77Å; T37-K47 PolarHBondContact N-O 3.07Å; T37-K47 PolarHBondContact O-N 3.24Å; T37-K47 VanDerWaalsContact O-N 3.17Å; T37-F61 HydrophobicContact CG2-CZ 4.23Å |
| 38 | W | 97.6 | Very high | 96 | Very high | 41 Ų | 41 | 46.3 Ų | 46.3 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 137.9 | 179.1 | -69.6 | 90 | 0 | 0 | 0 | 110.9 | L7 A9 W25 M26 T44 L45 | L7-W38 HydrophobicContact CD2-CB 3.82Å; L7-W38 HydrophobicContact CD2-CG 4.29Å; A9-W38 HydrophobicContact CB-CD2 3.84Å; A9-W38 HydrophobicContact CB-CE3 4.13Å; A9-W38 HydrophobicContact CB-CG 4.42Å; A9-W38 HydrophobicContact CB-CH2 4.04Å; A9-W38 HydrophobicContact CB-CZ2 3.74Å; A9-W38 HydrophobicContact CB-CZ3 4.22Å; W25-W38 CarbonylContact C-O 3.57Å; W25-W38 WeakPolarHBondContact CA-O 3.3Å; M26-W38 HydrophobicContact CE-CB 4.28Å; M26-W38 HydrophobicContact CE-CG 4.39Å; M26-W38 PolarHBondContact N-O 3.13Å; M26-W38 PolarHBondContact O-N 3.33Å; W38-T44 CarbonylContact C-O 3.6Å; W38-T44 WeakPolarHBondContact CA-O 3.46Å; W38-L45 HydrophobicContact CD2-CB 4.25Å; W38-L45 HydrophobicContact CD2-CD1 3.9Å; W38-L45 HydrophobicContact CE3-CB 3.97Å; W38-L45 HydrophobicContact CE3-CD1 4.47Å; W38-L45 HydrophobicContact CG-CD1 4.23Å; W38-L45 HydrophobicContact CH2-CB 3.93Å; W38-L45 HydrophobicContact CH2-CD1 4.48Å; W38-L45 HydrophobicContact CZ2-CB 4.21Å; W38-L45 HydrophobicContact CZ2-CD1 3.91Å; W38-L45 HydrophobicContact CZ2-CG 4.48Å; W38-L45 HydrophobicContact CZ3-CB 3.8Å |
| 39 | N | 96.2 | Very high | 95.9 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 115 | 163.5 | -178.1 | -32.2 | 0 | 0 | 0 | 108.4 | P24 E41 T42 Q43 T44 V46 | P24-N39 CarbonylContact O-C 3.58Å; P24-N39 VanDerWaalsContact O-CA 3.24Å; P24-N39 WeakPolarHBondContact O-CA 3.26Å; P24-N39 PolarHBondContact O-OD1 2.81Å; N39-E41 PolarHBondContact OD1-N 3.08Å; N39-T42 VanDerWaalsContact CB-OG1 3.27Å; N39-T42 WeakPolarHBondContact CB-OG1 3.46Å; N39-T42 PolarHBondContact ND2-OG1 2.95Å; N39-T42 PolarHBondContact OD1-N 3.09Å; N39-T42 PolarHBondContact OD1-OG1 3.41Å; N39-Q43 CarbonylContact O-C 3.55Å; N39-Q43 WeakPolarHBondContact O-CA 3.26Å; N39-Q43 PolarHBondContact O-N 3.42Å; N39-T44 PolarHBondContact N-O 3.36Å; N39-T44 PolarHBondContact O-N 3.48Å; N39-T44 VanDerWaalsContact O-N 3.13Å; N39-V46 HydrophobicContact CB-CG2 3.53Å |
| 40 | Y | 93.7 | Very high | 95.8 | Very high | 18 Ų | 18 | 54.9 Ų | 54.9 | 7% | 0.071 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -7.5 | -173.9 | 56.1 | -107.6 | 0 | 0 | 0 | 114.6 | L19 P24 W25 M26 I292 | L19-Y40 HydrophobicContact CD2-CD1 4.46Å; L19-Y40 HydrophobicContact CD2-CE1 4.02Å; P24-Y40 WeakPolarHBondContact CA-OH 3.37Å; P24-Y40 HydrophobicContact CB-CD2 4.23Å; P24-Y40 HydrophobicContact CB-CE1 4.33Å; P24-Y40 HydrophobicContact CB-CE2 3.78Å; P24-Y40 WeakPolarHBondContact O-CD1 3.46Å; P24-Y40 VanDerWaalsContact O-CE1 3.3Å; P24-Y40 WeakPolarHBondContact O-CE1 3.45Å; P24-Y40 PolarHBondContact O-N 3.49Å; W25-Y40 VanDerWaalsContact N-CE1 3.34Å; M26-Y40 HydrophobicContact CB-CD1 4.28Å; Y40-I292 HydrophobicContact CD1-CD1 3.16Å; Y40-I292 HydrophobicContact CD2-CD1 4.35Å; Y40-I292 HydrophobicContact CE1-CD1 3.95Å; Y40-I292 HydrophobicContact CG-CD1 3.4Å |
| 41 | E | 89.3 | Confident | 95.8 | Very high | 132 Ų | 132 | 55.5 Ų | 55.5 | 62% | 0.617 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -45.1 | 169.6 | -73.4 | -174.2 | 163.9 | 0 | 0 | 110.9 | P24 N39 Q43 | P24-E41 HydrophobicContact CB-CB 4.13Å; P24-E41 HydrophobicContact CB-CG 3.64Å; P24-E41 HydrophobicContact CG-CB 4.43Å; P24-E41 HydrophobicContact CG-CG 4.34Å; N39-E41 PolarHBondContact OD1-N 3.08Å; E41-Q43 VanDerWaalsContact C-N 3.35Å |
| 42 | T | 91.9 | Very high | 95.7 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -10 | 177.6 | 60.7 | 0 | 0 | 0 | 0 | 113.3 | N39 T44 | N39-T42 VanDerWaalsContact CB-OG1 3.27Å; N39-T42 WeakPolarHBondContact CB-OG1 3.46Å; N39-T42 PolarHBondContact ND2-OG1 2.95Å; N39-T42 PolarHBondContact OD1-N 3.09Å; N39-T42 PolarHBondContact OD1-OG1 3.41Å; T42-T44 VanDerWaalsContact C-N 3.3Å; T42-T44 PolarHBondContact O-N 2.77Å; T42-T44 PolarHBondContact OG1-OG1 2.61Å |
| 43 | Q | 92 | Very high | 95.7 | Very high | 132 Ų | 132 | 54 Ų | 54 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 36.4 | -176.5 | -53.9 | -177.6 | 9.2 | 0 | 0 | 113.8 | L7 N39 E41 | L7-Q43 HydrophobicContact CD1-CB 4.11Å; L7-Q43 HydrophobicContact CD1-CG 4.24Å; N39-Q43 CarbonylContact O-C 3.55Å; N39-Q43 WeakPolarHBondContact O-CA 3.26Å; N39-Q43 PolarHBondContact O-N 3.42Å; E41-Q43 VanDerWaalsContact C-N 3.35Å |
| 44 | T | 94.9 | Very high | 95.7 | Very high | 71 Ų | 71 | 58 Ų | 58 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.5 | -177 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | W38 N39 T42 V46 | W38-T44 CarbonylContact C-O 3.6Å; W38-T44 WeakPolarHBondContact CA-O 3.46Å; N39-T44 PolarHBondContact N-O 3.36Å; N39-T44 PolarHBondContact O-N 3.48Å; N39-T44 VanDerWaalsContact O-N 3.13Å; T42-T44 VanDerWaalsContact C-N 3.3Å; T42-T44 PolarHBondContact O-N 2.77Å; T42-T44 PolarHBondContact OG1-OG1 2.61Å; T44-V46 PolarHBondContact O-N 3.21Å |
| 45 | L | 95.8 | Very high | 95.7 | Very high | 77 Ų | 77 | 57.1 Ų | 57.1 | 40% | 0.403 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 115.9 | 168.7 | -177.6 | 67.4 | 0 | 0 | 0 | 108.6 | H36 W38 K47 | H36-L45 HydrophobicContact CB-CD1 3.72Å; W38-L45 HydrophobicContact CD2-CB 4.25Å; W38-L45 HydrophobicContact CD2-CD1 3.9Å; W38-L45 HydrophobicContact CE3-CB 3.97Å; W38-L45 HydrophobicContact CE3-CD1 4.47Å; W38-L45 HydrophobicContact CG-CD1 4.23Å; W38-L45 HydrophobicContact CH2-CB 3.93Å; W38-L45 HydrophobicContact CH2-CD1 4.48Å; W38-L45 HydrophobicContact CZ2-CB 4.21Å; W38-L45 HydrophobicContact CZ2-CD1 3.91Å; W38-L45 HydrophobicContact CZ2-CG 4.48Å; W38-L45 HydrophobicContact CZ3-CB 3.8Å; L45-K47 WeakPolarHBondContact CD1-O 3.16Å |
| 46 | V | 94.9 | Very high | 95.7 | Very high | 49 Ų | 49 | 56.9 Ų | 56.9 | 30% | 0.297 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -46 | -177.8 | -173 | 0 | 0 | 0 | 0 | 110.8 | W25 T37 N39 T44 | W25-V46 HydrophobicContact CZ2-CG1 4.11Å; T37-V46 WeakPolarHBondContact O-CA 3.37Å; T37-V46 WeakPolarHBondContact O-CB 3.28Å; T37-V46 PolarHBondContact O-N 2.77Å; N39-V46 HydrophobicContact CB-CG2 3.53Å; T44-V46 PolarHBondContact O-N 3.21Å |
| 47 | K | 94.7 | Very high | 95.8 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 27% | 0.27 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.7 | -176.9 | -55.6 | -66.5 | 178 | 177.4 | 0 | 110.5 | H36 T37 L45 L85 | H36-K47 WeakPolarHBondContact CA-O 3.4Å; T37-K47 PolarHBondContact N-O 3.07Å; T37-K47 PolarHBondContact O-N 3.24Å; T37-K47 VanDerWaalsContact O-N 3.17Å; L45-K47 WeakPolarHBondContact CD1-O 3.16Å; K47-L85 HydrophobicContact CB-CD2 4.28Å; K47-L85 HydrophobicContact CD-CD1 4.18Å; K47-L85 HydrophobicContact CD-CD2 4.08Å; K47-L85 HydrophobicContact CD-CG 4.34Å; K47-L85 HydrophobicContact CG-CD2 4.3Å |
| 48 | S | 96 | Very high | 95.8 | Very high | 63 Ų | 63 | 57.2 Ų | 57.2 | 44% | 0.441 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.7 | 168.3 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | H36 | H36-S48 PolarHBondContact CE1-OG 2.85Å; H36-S48 PolarHBondContact ND1-OG 2.95Å |
| 49 | L | 95.9 | Very high | 95.8 | Very high | 25 Ų | 25 | 55.3 Ų | 55.3 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 120.2 | -177.4 | 178.9 | 71.7 | 0 | 0 | 0 | 109.1 | N34 V35 V51 F80 | N34-L49 CarbonylContact C-O 3.56Å; N34-L49 WeakPolarHBondContact CA-O 3.37Å; V35-L49 PolarHBondContact N-O 3.22Å; V35-L49 PolarHBondContact O-N 3.02Å; L49-V51 HydrophobicContact CD2-CG2 3.94Å; L49-V51 HydrophobicContact CG-CG2 4.07Å; L49-V51 PolarHBondContact O-N 2.72Å; L49-F80 HydrophobicContact CD1-CD1 3.97Å; L49-F80 HydrophobicContact CD1-CE1 4.03Å; L49-F80 HydrophobicContact CD2-CB 3.98Å; L49-F80 HydrophobicContact CD2-CD1 3.72Å; L49-F80 HydrophobicContact CD2-CD2 3.55Å; L49-F80 HydrophobicContact CD2-CE1 3.99Å; L49-F80 HydrophobicContact CD2-CE2 3.83Å; L49-F80 HydrophobicContact CD2-CG 3.48Å; L49-F80 VanDerWaalsContact CD2-CG 3.48Å; L49-F80 HydrophobicContact CD2-CZ 4.03Å; L49-F80 HydrophobicContact CG-CD1 4.42Å; L49-F80 HydrophobicContact CG-CE1 4.41Å |
| 50 | E | 96.3 | Very high | 95.9 | Very high | 155 Ų | 155 | 56 Ų | 56 | 72% | 0.724 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 110.7 | 170.7 | -173.7 | 177.7 | 170.7 | 0 | 0 | 109 | N34 | N34-E50 VanDerWaalsContact OD1-CA 3.29Å; N34-E50 WeakPolarHBondContact OD1-CA 3.45Å; N34-E50 WeakPolarHBondContact OD1-CB 3.39Å; N34-E50 WeakPolarHBondContact OD1-CG 3.29Å |
| 51 | V | 97.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 55.8 Ų | 55.8 | 9% | 0.085 | 30% | 0.303 | C | S | . | . | trans | -92 | -47.3 | -172.7 | 179.7 | 0 | 0 | 0 | 0 | 111 | G33 V35 L49 V56 T70 F80 | G33-V51 WeakPolarHBondContact O-CB 3.36Å; G33-V51 PolarHBondContact O-N 3.1Å; G33-V51 VanDerWaalsContact O-N 3.08Å; V35-V51 HydrophobicContact CB-CG2 4.14Å; V35-V51 HydrophobicContact CG2-CG2 3.61Å; L49-V51 HydrophobicContact CD2-CG2 3.94Å; L49-V51 HydrophobicContact CG-CG2 4.07Å; L49-V51 PolarHBondContact O-N 2.72Å; V51-V56 HydrophobicContact CB-CG2 3.81Å; V51-V56 HydrophobicContact CG1-CG2 3.99Å; V51-V56 HydrophobicContact CG2-CG2 4.29Å; V51-T70 HydrophobicContact CG2-CG2 4.33Å; V51-F80 HydrophobicContact CG1-CE2 4.1Å; V51-F80 HydrophobicContact CG1-CZ 4.28Å; V51-F80 HydrophobicContact CG2-CE2 4.21Å; V51-F80 HydrophobicContact CG2-CZ 4.46Å | ||
| 52 | C | 96.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | trans | -162.9 | 174.7 | 177.9 | 54.6 | 0 | 0 | 0 | 0 | 110.3 | G33 Q54 | G33-C52 CarbonylContact C-O 3.54Å; G33-C52 VanDerWaalsContact CA-O 3.26Å; G33-C52 WeakPolarHBondContact CA-O 3.39Å; G33-C52 PolarHBondContact O-N 3.37Å; C52-Q54 VanDerWaalsContact C-N 3.28Å; C52-Q54 PolarHBondContact SG-O 3.05Å | ||
| 53 | A | 96.7 | Very high | 96.7 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 84% | 0.835 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -82.8 | -4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 54 | Q | 97.8 | Very high | 96.9 | Very high | 84 Ų | 84 | 47 Ų | 47 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -106.7 | 159.5 | -179.6 | -64.2 | -165.5 | 20.7 | 0 | 0 | 111.1 | G33 C52 V56 D73 D74 | G33-Q54 WeakPolarHBondContact CA-O 3.42Å; C52-Q54 VanDerWaalsContact C-N 3.28Å; C52-Q54 PolarHBondContact SG-O 3.05Å; Q54-V56 PolarHBondContact O-N 2.79Å; Q54-D73 HydrophobicContact CB-CB 4.17Å; Q54-D73 PolarHBondContact OE1-O 3.16Å; Q54-D74 HydrophobicContact CG-CB 4.44Å |
| 55 | P | 98.5 | Very high | 97 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | trans | -52.5 | 130.7 | 179 | -26.8 | 32.8 | 0 | 0 | 0 | 113.6 | Y31 S72 D73 | Y31-P55 HydrophobicContact CD1-CG 4.27Å; Y31-P55 HydrophobicContact CD2-CB 3.6Å; Y31-P55 HydrophobicContact CD2-CG 3.67Å; Y31-P55 HydrophobicContact CE1-CG 4.1Å; Y31-P55 HydrophobicContact CE2-CB 3.78Å; Y31-P55 HydrophobicContact CE2-CG 3.45Å; Y31-P55 VanDerWaalsContact CE2-CG 3.45Å; Y31-P55 HydrophobicContact CG-CB 4.17Å; Y31-P55 HydrophobicContact CG-CG 4.07Å; Y31-P55 VanDerWaalsContact O-CA 3.27Å; Y31-P55 WeakPolarHBondContact O-CA 3.25Å; Y31-P55 WeakPolarHBondContact O-CB 3.29Å; Y31-P55 VanDerWaalsContact O-CG 3.3Å; Y31-P55 WeakPolarHBondContact O-CG 3.4Å; P55-S72 VanDerWaalsContact O-CA 3.26Å; P55-S72 WeakPolarHBondContact O-CA 3.45Å; P55-S72 VanDerWaalsContact O-CB 3.32Å; P55-S72 WeakPolarHBondContact O-CB 3.3Å; P55-D73 WeakPolarHBondContact CB-OD2 3.43Å; P55-D73 WeakPolarHBondContact CG-OD2 3.08Å; P55-D73 PolarHBondContact O-N 3.16Å | ||
| 56 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 103.3 | 167.8 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | S29 L30 V35 V51 Q54 V58 T70 | S29-V56 VanDerWaalsContact CB-O 3.26Å; S29-V56 WeakPolarHBondContact CB-O 3.48Å; S29-V56 PolarHBondContact OG-O 2.81Å; L30-V56 PolarHBondContact O-N 3.17Å; L30-V56 VanDerWaalsContact O-N 3.1Å; V35-V56 HydrophobicContact CG2-CB 4.43Å; V35-V56 HydrophobicContact CG2-CG1 4.01Å; V35-V56 HydrophobicContact CG2-CG2 4.5Å; V51-V56 HydrophobicContact CB-CG2 3.81Å; V51-V56 HydrophobicContact CG1-CG2 3.99Å; V51-V56 HydrophobicContact CG2-CG2 4.29Å; Q54-V56 PolarHBondContact O-N 2.79Å; V56-V58 WeakPolarHBondContact CG1-O 3.38Å; V56-T70 HydrophobicContact CG1-CG2 4.46Å |
| 57 | R | 98.3 | Very high | 97.2 | Very high | 31 Ų | 31 | 44.3 Ų | 44.3 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -30.2 | -176.4 | -63.9 | -165.1 | -176.3 | -77.6 | -14.2 | 113 | K15 S16 G71 D73 V98 | K15-R57 CarbonylContact C-O 3.54Å; S16-R57 WeakPolarHBondContact CB-O 3.36Å; R57-G71 PolarHBondContact N-O 3.22Å; R57-D73 WeakPolarHBondContact CD-OD1 3.36Å; R57-D73 WeakPolarHBondContact CG-OD1 3.11Å; R57-D73 IonicContact CZ-OD1 3.51Å; R57-D73 VanDerWaalsContact CZ-OD1 3.24Å; R57-D73 IonicContact CZ-OD2 3.79Å; R57-D73 IonicContact NE-OD1 2.62Å; R57-D73 PolarHBondContact NE-OD1 2.82Å; R57-D73 IonicContact NE-OD2 3.5Å; R57-D73 VanDerWaalsContact NH2-CG 3.34Å; R57-D73 IonicContact NH2-OD1 2.65Å; R57-D73 PolarHBondContact NH2-OD1 3.17Å; R57-D73 IonicContact NH2-OD2 3.13Å; R57-D73 PolarHBondContact NH2-OD2 3.46Å; R57-V98 WeakPolarHBondContact CB-O 3.48Å; R57-V98 WeakPolarHBondContact CD-O 3.19Å |
| 58 | V | 98.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 136 | -177.4 | 63.9 | 0 | 0 | 0 | 0 | 112.1 | S16 V56 K60 T70 G71 V98 I101 | S16-V58 WeakPolarHBondContact OG-CA 3.45Å; V56-V58 WeakPolarHBondContact CG1-O 3.38Å; V58-K60 HydrophobicContact CG2-CG 4.25Å; V58-T70 CarbonylContact O-C 2.93Å; V58-T70 VanDerWaalsContact O-CA 3.25Å; V58-T70 WeakPolarHBondContact O-CA 3.16Å; V58-G71 PolarHBondContact N-O 2.84Å; V58-G71 PolarHBondContact O-N 3.04Å; V58-V98 HydrophobicContact CG1-CG1 4.46Å; V58-I101 HydrophobicContact CG1-CB 4.04Å; V58-I101 HydrophobicContact CG1-CD1 3.64Å; V58-I101 HydrophobicContact CG1-CG1 3.65Å; V58-I101 HydrophobicContact CG2-CB 3.95Å |
| 59 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | S16 L27 V35 V68 L69 T70 | S16-A59 PolarHBondContact OG-N 2.95Å; L27-A59 HydrophobicContact CD2-CB 3.73Å; L27-A59 HydrophobicContact CG-CB 4.17Å; V35-A59 HydrophobicContact CG1-CB 4.23Å; V35-A59 HydrophobicContact CG2-CB 4.24Å; A59-V68 HydrophobicContact CB-CG1 4.19Å; A59-L69 CarbonylContact C-O 3.53Å; A59-L69 WeakPolarHBondContact CA-O 3.25Å; A59-T70 HydrophobicContact CB-CG2 4.07Å |
| 60 | K | 98.4 | Very high | 97.6 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 17% | 0.165 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140 | -178.7 | -73.1 | -59.3 | -171.7 | -170.4 | 0 | 112 | V17 D18 V58 V68 L69 I101 V103 | V17-K60 PolarHBondContact O-NZ 3.33Å; D18-K60 HydrophobicContact CB-CD 4.05Å; D18-K60 WeakPolarHBondContact OD1-CD 3.33Å; D18-K60 IonicContact OD1-NZ 2.77Å; D18-K60 PolarHBondContact OD1-NZ 3.23Å; D18-K60 WeakPolarHBondContact OD2-CA 3.18Å; D18-K60 WeakPolarHBondContact OD2-CD 3.48Å; V58-K60 HydrophobicContact CG2-CG 4.25Å; K60-V68 CarbonylContact O-C 3.32Å; K60-V68 WeakPolarHBondContact O-CA 3.49Å; K60-L69 PolarHBondContact N-O 3.43Å; K60-L69 PolarHBondContact O-N 3.4Å; K60-I101 HydrophobicContact CG-CG2 4.39Å; K60-V103 HydrophobicContact CB-CG2 4.11Å |
| 61 | F | 97.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 6% | 0.057 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 138.3 | 169.6 | -77.1 | -65.1 | 0 | 0 | 0 | 111.1 | D18 H20 L27 T37 V63 W67 V68 Y82 | D18-F61 HydrophobicContact CB-CD2 4.34Å; D18-F61 PolarHBondContact OD2-N 3.39Å; H20-F61 HydrophobicContact CB-CD2 4.21Å; H20-F61 HydrophobicContact CB-CE2 3.91Å; H20-F61 HydrophobicContact CB-CZ 4.3Å; L27-F61 HydrophobicContact CB-CD2 4.17Å; L27-F61 HydrophobicContact CB-CE2 3.54Å; L27-F61 HydrophobicContact CB-CZ 3.87Å; L27-F61 HydrophobicContact CD1-CZ 4.3Å; L27-F61 HydrophobicContact CD2-CD2 4.32Å; L27-F61 HydrophobicContact CD2-CE2 4.32Å; L27-F61 HydrophobicContact CD2-CG 4.49Å; L27-F61 HydrophobicContact CD2-CZ 4.46Å; L27-F61 HydrophobicContact CG-CE2 4.44Å; L27-F61 HydrophobicContact CG-CZ 4.47Å; T37-F61 HydrophobicContact CG2-CZ 4.23Å; F61-V63 HydrophobicContact CB-CG2 4Å; F61-W67 WeakPolarHBondContact CA-O 3.49Å; F61-V68 HydrophobicContact CD1-CG2 3.77Å; F61-V68 HydrophobicContact CE1-CG2 3.73Å; F61-Y82 AromaticContact CD1-CD1 3.74Å; F61-Y82 HydrophobicContact CD1-CD1 3.74Å; F61-Y82 AromaticContact CD1-CE1 3.75Å; F61-Y82 HydrophobicContact CD1-CE1 3.75Å; F61-Y82 AromaticContact CE1-CD1 3.82Å; F61-Y82 HydrophobicContact CE1-CD1 3.82Å; F61-Y82 HydrophobicContact CE1-CE1 4.11Å; F61-Y82 HydrophobicContact CE1-CG 4.23Å |
| 62 | V | 97.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 76.3 | 163.7 | -170.2 | 0 | 0 | 0 | 0 | 107.1 | R64 K65 S66 W67 L69 V103 W124 | V62-R64 VanDerWaalsContact C-N 3.28Å; V62-R64 HydrophobicContact CG1-CG 3.92Å; V62-R64 PolarHBondContact O-N 3.01Å; V62-K65 HydrophobicContact CG1-CB 4.26Å; V62-K65 HydrophobicContact CG1-CG 4.12Å; V62-K65 PolarHBondContact O-N 3.4Å; V62-S66 PolarHBondContact O-N 2.72Å; V62-S66 VanDerWaalsContact O-N 3.09Å; V62-W67 HydrophobicContact CB-CB 4.19Å; V62-W67 PolarHBondContact N-O 3.04Å; V62-W67 PolarHBondContact O-N 2.87Å; V62-W67 VanDerWaalsContact O-N 3.11Å; V62-L69 HydrophobicContact CG2-CB 4.34Å; V62-V103 HydrophobicContact CG2-CG1 4.27Å; V62-V103 HydrophobicContact CG2-CG2 4.04Å; V62-W124 HydrophobicContact CG1-CH2 4.13Å; V62-W124 HydrophobicContact CG1-CZ2 4.19Å |
| 63 | V | 95.8 | Very high | 97.8 | Very high | 50 Ų | 50 | 28.8 Ų | 28.8 | 30% | 0.303 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -54.6 | -42.6 | -169.4 | -178.7 | 0 | 0 | 0 | 0 | 112.3 | P21 F61 K65 S66 | P21-V63 VanDerWaalsContact CD-CG2 3.41Å; P21-V63 HydrophobicContact CG-CB 4.36Å; P21-V63 HydrophobicContact CG-CG1 4.16Å; P21-V63 HydrophobicContact CG-CG2 3.67Å; F61-V63 HydrophobicContact CB-CG2 4Å; V63-K65 PolarHBondContact O-N 3.02Å; V63-S66 PolarHBondContact O-N 3.42Å |
| 64 | R | 95.4 | Very high | 97.9 | Very high | 108 Ų | 108 | 25.6 Ų | 25.6 | 41% | 0.408 | 12% | 0.121 | S | C | . | . | G | 310 helix | trans | -59.6 | -16.8 | 177.1 | 55.5 | 173.3 | 164.6 | 177.1 | -9.4 | 115.5 | V62 H104 T106 L107 W124 | V62-R64 VanDerWaalsContact C-N 3.28Å; V62-R64 HydrophobicContact CG1-CG 3.92Å; V62-R64 PolarHBondContact O-N 3.01Å; R64-H104 PolarHBondContact NH2-O 2.7Å; R64-T106 PolarHBondContact NH1-O 2.85Å; R64-L107 PolarHBondContact NH1-O 2.81Å; R64-L107 PolarHBondContact NH2-O 3.25Å; R64-W124 VanDerWaalsContact NH2-CZ2 3.28Å |
| 65 | K | 96.5 | Very high | 97.9 | Very high | 82 Ų | 82 | 24.6 Ų | 24.6 | 36% | 0.357 | 12% | 0.117 | S | C | . | . | G | 310 helix | trans | -115.4 | -1.3 | 174.2 | -60.1 | -65.3 | -70.7 | -163.1 | 0 | 112.2 | V62 V63 W67 | V62-K65 HydrophobicContact CG1-CB 4.26Å; V62-K65 HydrophobicContact CG1-CG 4.12Å; V62-K65 PolarHBondContact O-N 3.4Å; V63-K65 PolarHBondContact O-N 3.02Å; K65-W67 VanDerWaalsContact C-N 3.28Å; K65-W67 HydrophobicContact CB-CD2 3.45Å; K65-W67 VanDerWaalsContact CB-CD2 3.45Å; K65-W67 HydrophobicContact CB-CE3 3.84Å; K65-W67 HydrophobicContact CB-CG 3.76Å; K65-W67 HydrophobicContact CB-CH2 4.39Å; K65-W67 HydrophobicContact CB-CZ2 4.04Å; K65-W67 HydrophobicContact CB-CZ3 4.28Å; K65-W67 VanDerWaalsContact CE-CZ2 3.46Å; K65-W67 HydrophobicContact CG-CD2 4.23Å; K65-W67 HydrophobicContact CG-CE3 4.14Å; K65-W67 HydrophobicContact CG-CH2 4.28Å; K65-W67 HydrophobicContact CG-CZ2 4.33Å; K65-W67 HydrophobicContact CG-CZ3 4.16Å; K65-W67 PolarHBondContact O-N 3.08Å; K65-W67 PolarHBondContact O-NE1 2.99Å; K65-W67 VanDerWaalsContact O-NE1 3.1Å |
| 66 | S | 97.2 | Very high | 97.9 | Very high | 34 Ų | 34 | 25.2 Ų | 25.2 | 24% | 0.238 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 41.6 | -167.8 | -51.1 | 0 | 0 | 0 | 0 | 113.7 | V62 V63 N81 Y82 | V62-S66 PolarHBondContact O-N 2.72Å; V62-S66 VanDerWaalsContact O-N 3.09Å; V63-S66 PolarHBondContact O-N 3.42Å; S66-N81 WeakPolarHBondContact O-CA 3.48Å; S66-Y82 WeakPolarHBondContact CA-OH 3.41Å; S66-Y82 WeakPolarHBondContact O-CD1 3.46Å; S66-Y82 WeakPolarHBondContact O-CE1 3.22Å; S66-Y82 PolarHBondContact O-N 3.42Å |
| 67 | W | 98 | Very high | 97.9 | Very high | 26 Ų | 26 | 25.2 Ų | 25.2 | 10% | 0.098 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 156.9 | 180 | -56.4 | -19.2 | 0 | 0 | 0 | 113.9 | F61 V62 K65 A79 F80 Y82 V88 W124 F128 | F61-W67 WeakPolarHBondContact CA-O 3.49Å; V62-W67 HydrophobicContact CB-CB 4.19Å; V62-W67 PolarHBondContact N-O 3.04Å; V62-W67 PolarHBondContact O-N 2.87Å; V62-W67 VanDerWaalsContact O-N 3.11Å; K65-W67 VanDerWaalsContact C-N 3.28Å; K65-W67 HydrophobicContact CB-CD2 3.45Å; K65-W67 VanDerWaalsContact CB-CD2 3.45Å; K65-W67 HydrophobicContact CB-CE3 3.84Å; K65-W67 HydrophobicContact CB-CG 3.76Å; K65-W67 HydrophobicContact CB-CH2 4.39Å; K65-W67 HydrophobicContact CB-CZ2 4.04Å; K65-W67 HydrophobicContact CB-CZ3 4.28Å; K65-W67 VanDerWaalsContact CE-CZ2 3.46Å; K65-W67 HydrophobicContact CG-CD2 4.23Å; K65-W67 HydrophobicContact CG-CE3 4.14Å; K65-W67 HydrophobicContact CG-CH2 4.28Å; K65-W67 HydrophobicContact CG-CZ2 4.33Å; K65-W67 HydrophobicContact CG-CZ3 4.16Å; K65-W67 PolarHBondContact O-N 3.08Å; K65-W67 PolarHBondContact O-NE1 2.99Å; K65-W67 VanDerWaalsContact O-NE1 3.1Å; W67-A79 HydrophobicContact CE3-CB 4.34Å; W67-F80 CarbonylContact C-O 3.6Å; W67-F80 WeakPolarHBondContact CA-O 3.25Å; W67-Y82 VanDerWaalsContact C-CD1 3.49Å; W67-Y82 WeakPolarHBondContact O-CD1 3.43Å; W67-V88 HydrophobicContact CH2-CG1 4.19Å; W67-V88 HydrophobicContact CZ2-CG1 3.71Å; W67-W124 HydrophobicContact CZ3-CB 4.11Å; W67-W124 HydrophobicContact CZ3-CG 4.04Å; W67-F128 HydrophobicContact CE3-CZ 4.45Å; W67-F128 HydrophobicContact CH2-CZ 4Å; W67-F128 HydrophobicContact CZ3-CE1 4.32Å; W67-F128 AromaticContact CZ3-CZ 3.64Å; W67-F128 HydrophobicContact CZ3-CZ 3.64Å |
| 68 | V | 98.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.03 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.9 | 156 | 169.1 | 0 | 0 | 0 | 0 | 107.7 | L27 V35 A59 K60 F61 T70 A79 F80 Y82 | L27-V68 HydrophobicContact CD1-CG1 4.25Å; L27-V68 HydrophobicContact CD1-CG2 3.91Å; L27-V68 HydrophobicContact CD2-CB 4.45Å; L27-V68 HydrophobicContact CD2-CG1 3.73Å; L27-V68 HydrophobicContact CD2-CG2 3.89Å; V35-V68 HydrophobicContact CG1-CG1 4.47Å; A59-V68 HydrophobicContact CB-CG1 4.19Å; K60-V68 CarbonylContact O-C 3.32Å; K60-V68 WeakPolarHBondContact O-CA 3.49Å; F61-V68 HydrophobicContact CD1-CG2 3.77Å; F61-V68 HydrophobicContact CE1-CG2 3.73Å; V68-T70 HydrophobicContact CG1-CG2 3.79Å; V68-A79 CarbonylContact O-C 3.46Å; V68-A79 WeakPolarHBondContact O-CA 3.29Å; V68-F80 PolarHBondContact N-O 3.41Å; V68-F80 PolarHBondContact O-N 2.97Å; V68-Y82 HydrophobicContact CG2-CD1 4.11Å |
| 69 | L | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.5 | 173 | -150.2 | 92.2 | 0 | 0 | 0 | 109 | A59 K60 V62 I77 R78 A79 I101 F110 F128 | A59-L69 CarbonylContact C-O 3.53Å; A59-L69 WeakPolarHBondContact CA-O 3.25Å; K60-L69 PolarHBondContact N-O 3.43Å; K60-L69 PolarHBondContact O-N 3.4Å; V62-L69 HydrophobicContact CG2-CB 4.34Å; L69-I77 HydrophobicContact CD1-CG2 4.48Å; L69-I77 HydrophobicContact CD2-CG2 4.07Å; L69-I77 HydrophobicContact CG-CG2 4.05Å; L69-R78 CarbonylContact C-O 3.58Å; L69-R78 WeakPolarHBondContact CA-O 3.41Å; L69-A79 HydrophobicContact CD1-CB 3.79Å; L69-I101 HydrophobicContact CD2-CD1 3.89Å; L69-I101 HydrophobicContact CD2-CG2 3.67Å; L69-F110 HydrophobicContact CD1-CE1 4.24Å; L69-F110 HydrophobicContact CD2-CB 4.4Å; L69-F110 HydrophobicContact CD2-CD1 3.82Å; L69-F110 HydrophobicContact CD2-CD2 3.58Å; L69-F110 HydrophobicContact CD2-CE1 3.92Å; L69-F110 HydrophobicContact CD2-CE2 3.68Å; L69-F110 HydrophobicContact CD2-CG 3.66Å; L69-F110 HydrophobicContact CD2-CZ 3.84Å; L69-F128 HydrophobicContact CD1-CE1 4.33Å |
| 70 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144.1 | -177 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | V35 V51 V56 V58 A59 V68 I77 R78 F80 | V35-T70 HydrophobicContact CG2-CG2 4.04Å; V51-T70 HydrophobicContact CG2-CG2 4.33Å; V56-T70 HydrophobicContact CG1-CG2 4.46Å; V58-T70 CarbonylContact O-C 2.93Å; V58-T70 VanDerWaalsContact O-CA 3.25Å; V58-T70 WeakPolarHBondContact O-CA 3.16Å; A59-T70 HydrophobicContact CB-CG2 4.07Å; V68-T70 HydrophobicContact CG1-CG2 3.79Å; T70-I77 VanDerWaalsContact O-CA 3.29Å; T70-I77 WeakPolarHBondContact O-CA 3.27Å; T70-R78 PolarHBondContact N-O 3.34Å; T70-R78 PolarHBondContact O-N 3.4Å; T70-F80 HydrophobicContact CG2-CD2 4.49Å; T70-F80 HydrophobicContact CG2-CE2 4.48Å |
| 71 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 134.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R57 V58 | R57-G71 PolarHBondContact N-O 3.22Å; V58-G71 PolarHBondContact N-O 2.84Å; V58-G71 PolarHBondContact O-N 3.04Å |
| 72 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 170.8 | -171 | 37.2 | 0 | 0 | 0 | 0 | 113.1 | P55 D74 M75 Q76 R78 V98 | P55-S72 VanDerWaalsContact O-CA 3.26Å; P55-S72 WeakPolarHBondContact O-CA 3.45Å; P55-S72 VanDerWaalsContact O-CB 3.32Å; P55-S72 WeakPolarHBondContact O-CB 3.3Å; S72-D74 WeakPolarHBondContact CB-OD1 3.34Å; S72-D74 PolarHBondContact O-N 2.75Å; S72-D74 PolarHBondContact OG-OD1 3.04Å; S72-M75 PolarHBondContact O-N 3.15Å; S72-Q76 PolarHBondContact N-O 2.8Å; S72-R78 PolarHBondContact OG-NH1 3.21Å; S72-R78 VanDerWaalsContact OG-NH1 3.09Å; S72-V98 PolarHBondContact O-N 3.01Å |
| 73 | D | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.032 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -14.5 | 178.7 | -75 | -0.2 | 0 | 0 | 0 | 113.2 | Q54 P55 R57 M75 Y97 | Q54-D73 HydrophobicContact CB-CB 4.17Å; Q54-D73 PolarHBondContact OE1-O 3.16Å; P55-D73 WeakPolarHBondContact CB-OD2 3.43Å; P55-D73 WeakPolarHBondContact CG-OD2 3.08Å; P55-D73 PolarHBondContact O-N 3.16Å; R57-D73 WeakPolarHBondContact CD-OD1 3.36Å; R57-D73 WeakPolarHBondContact CG-OD1 3.11Å; R57-D73 IonicContact CZ-OD1 3.51Å; R57-D73 VanDerWaalsContact CZ-OD1 3.24Å; R57-D73 IonicContact CZ-OD2 3.79Å; R57-D73 IonicContact NE-OD1 2.62Å; R57-D73 PolarHBondContact NE-OD1 2.82Å; R57-D73 IonicContact NE-OD2 3.5Å; R57-D73 VanDerWaalsContact NH2-CG 3.34Å; R57-D73 IonicContact NH2-OD1 2.65Å; R57-D73 PolarHBondContact NH2-OD1 3.17Å; R57-D73 IonicContact NH2-OD2 3.13Å; R57-D73 PolarHBondContact NH2-OD2 3.46Å; D73-M75 PolarHBondContact O-N 3.1Å; D73-M75 VanDerWaalsContact O-N 3.15Å; D73-Y97 HydrophobicContact CB-CD1 3.62Å; D73-Y97 HydrophobicContact CB-CE1 3.77Å; D73-Y97 HydrophobicContact CB-CG 4.1Å; D73-Y97 WeakPolarHBondContact O-CD1 3.36Å; D73-Y97 WeakPolarHBondContact O-CE1 3.35Å |
| 74 | D | 97.9 | Very high | 97.6 | Very high | 33 Ų | 33 | 30.3 Ų | 30.3 | 18% | 0.176 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 13.8 | 172.3 | 70.6 | -8.6 | 0 | 0 | 0 | 113.2 | Q54 S72 Q76 R78 | Q54-D74 HydrophobicContact CG-CB 4.44Å; S72-D74 WeakPolarHBondContact CB-OD1 3.34Å; S72-D74 PolarHBondContact O-N 2.75Å; S72-D74 PolarHBondContact OG-OD1 3.04Å; D74-Q76 WeakPolarHBondContact O-CG 3.41Å; D74-Q76 PolarHBondContact O-N 2.7Å; D74-Q76 VanDerWaalsContact O-N 3.13Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.37Å; D74-Q76 PolarHBondContact OD1-N 2.94Å; D74-R78 IonicContact OD1-NH1 3.96Å; D74-R78 PolarHBondContact OD1-NH1 2.75Å; D74-R78 IonicContact OD2-CZ 3.41Å; D74-R78 VanDerWaalsContact OD2-CZ 3.28Å; D74-R78 IonicContact OD2-NH1 2.76Å; D74-R78 PolarHBondContact OD2-NH1 3.39Å; D74-R78 IonicContact OD2-NH2 2.68Å; D74-R78 PolarHBondContact OD2-NH2 3.13Å |
| 75 | M | 98.2 | Very high | 97.5 | Very high | 64 Ų | 64 | 28.2 Ų | 28.2 | 32% | 0.315 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 68.6 | 5.7 | 175.3 | -39.4 | 163.4 | -161.2 | 0 | 0 | 114.3 | S72 D73 E92 A93 H94 | S72-M75 PolarHBondContact O-N 3.15Å; D73-M75 PolarHBondContact O-N 3.1Å; D73-M75 VanDerWaalsContact O-N 3.15Å; M75-E92 HydrophobicContact CB-CG 4.34Å; M75-A93 PolarHBondContact O-N 2.85Å; M75-H94 VanDerWaalsContact CB-O 3.28Å; M75-H94 WeakPolarHBondContact CB-O 3.4Å; M75-H94 PolarHBondContact O-N 2.99Å |
| 76 | Q | 98.4 | Very high | 97.5 | Very high | 30 Ų | 30 | 29.2 Ų | 29.2 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 149.5 | -177 | -59 | -72.3 | -52.4 | 0 | 0 | 111.8 | S72 D74 F91 E92 | S72-Q76 PolarHBondContact N-O 2.8Å; D74-Q76 WeakPolarHBondContact O-CG 3.41Å; D74-Q76 PolarHBondContact O-N 2.7Å; D74-Q76 VanDerWaalsContact O-N 3.13Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.37Å; D74-Q76 PolarHBondContact OD1-N 2.94Å; Q76-F91 WeakPolarHBondContact CA-O 3.43Å; Q76-F91 PolarHBondContact OE1-O 2.87Å; Q76-E92 VanDerWaalsContact NE2-CB 3.35Å |
| 77 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137 | 159 | -68.6 | 177.4 | 0 | 0 | 0 | 108.8 | L69 T70 Q90 F91 A93 I101 F110 | L69-I77 HydrophobicContact CD1-CG2 4.48Å; L69-I77 HydrophobicContact CD2-CG2 4.07Å; L69-I77 HydrophobicContact CG-CG2 4.05Å; T70-I77 VanDerWaalsContact O-CA 3.29Å; T70-I77 WeakPolarHBondContact O-CA 3.27Å; I77-Q90 WeakPolarHBondContact O-CA 3.43Å; I77-F91 HydrophobicContact CB-CE1 4.36Å; I77-F91 HydrophobicContact CB-CE2 4.22Å; I77-F91 HydrophobicContact CB-CZ 3.93Å; I77-F91 HydrophobicContact CG2-CE1 4.26Å; I77-F91 HydrophobicContact CG2-CZ 4Å; I77-F91 PolarHBondContact N-O 2.79Å; I77-F91 PolarHBondContact O-N 2.71Å; I77-F91 VanDerWaalsContact O-N 3.13Å; I77-A93 HydrophobicContact CB-CB 4.1Å; I77-A93 HydrophobicContact CD1-CB 3.45Å; I77-A93 VanDerWaalsContact CD1-CB 3.45Å; I77-A93 HydrophobicContact CG1-CB 3.55Å; I77-I101 HydrophobicContact CD1-CD1 4.21Å; I77-I101 HydrophobicContact CG1-CD1 4.3Å; I77-F110 HydrophobicContact CD1-CE2 3.75Å; I77-F110 HydrophobicContact CD1-CZ 4.5Å; I77-F110 HydrophobicContact CG2-CE2 4.23Å; I77-F110 HydrophobicContact CG2-CZ 4.17Å |
| 78 | R | 98.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 37 Ų | 37 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148 | 178.1 | -58.9 | 173.7 | 176.2 | 89.5 | -0.6 | 110.1 | L69 T70 S72 D74 F80 T89 Q90 | L69-R78 CarbonylContact C-O 3.58Å; L69-R78 WeakPolarHBondContact CA-O 3.41Å; T70-R78 PolarHBondContact N-O 3.34Å; T70-R78 PolarHBondContact O-N 3.4Å; S72-R78 PolarHBondContact OG-NH1 3.21Å; S72-R78 VanDerWaalsContact OG-NH1 3.09Å; D74-R78 IonicContact OD1-NH1 3.96Å; D74-R78 PolarHBondContact OD1-NH1 2.75Å; D74-R78 IonicContact OD2-CZ 3.41Å; D74-R78 VanDerWaalsContact OD2-CZ 3.28Å; D74-R78 IonicContact OD2-NH1 2.76Å; D74-R78 PolarHBondContact OD2-NH1 3.39Å; D74-R78 IonicContact OD2-NH2 2.68Å; D74-R78 PolarHBondContact OD2-NH2 3.13Å; R78-F80 HydrophobicContact CB-CD2 4.25Å; R78-F80 HydrophobicContact CB-CE2 3.48Å; R78-F80 VanDerWaalsContact CB-CE2 3.48Å; R78-F80 HydrophobicContact CB-CZ 4.03Å; R78-F80 HydrophobicContact CG-CE2 4.42Å; R78-T89 WeakPolarHBondContact CA-O 3.33Å; R78-Q90 HydrophobicContact CG-CB 3.97Å; R78-Q90 HydrophobicContact CG-CG 3.85Å; R78-Q90 VanDerWaalsContact NE-OE1 3.08Å |
| 79 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.9 | 170 | 0 | 0 | 0 | 0 | 0 | 109.2 | W67 V68 L69 R87 V88 T89 F128 | W67-A79 HydrophobicContact CE3-CB 4.34Å; V68-A79 CarbonylContact O-C 3.46Å; V68-A79 WeakPolarHBondContact O-CA 3.29Å; L69-A79 HydrophobicContact CD1-CB 3.79Å; A79-R87 CarbonylContact O-C 3.55Å; A79-V88 HydrophobicContact CB-CB 4.19Å; A79-V88 PolarHBondContact O-N 3Å; A79-T89 HydrophobicContact CB-CG2 3.82Å; A79-T89 PolarHBondContact N-O 2.8Å; A79-T89 PolarHBondContact O-N 2.85Å; A79-F128 HydrophobicContact CB-CZ 4.42Å |
| 80 | F | 98.2 | Very high | 97.4 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 7% | 0.066 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140.7 | 178 | -61.1 | -95.5 | 0 | 0 | 0 | 109.7 | L49 V51 W67 V68 T70 R78 Y82 D86 R87 | L49-F80 HydrophobicContact CD1-CD1 3.97Å; L49-F80 HydrophobicContact CD1-CE1 4.03Å; L49-F80 HydrophobicContact CD2-CB 3.98Å; L49-F80 HydrophobicContact CD2-CD1 3.72Å; L49-F80 HydrophobicContact CD2-CD2 3.55Å; L49-F80 HydrophobicContact CD2-CE1 3.99Å; L49-F80 HydrophobicContact CD2-CE2 3.83Å; L49-F80 HydrophobicContact CD2-CG 3.48Å; L49-F80 VanDerWaalsContact CD2-CG 3.48Å; L49-F80 HydrophobicContact CD2-CZ 4.03Å; L49-F80 HydrophobicContact CG-CD1 4.42Å; L49-F80 HydrophobicContact CG-CE1 4.41Å; V51-F80 HydrophobicContact CG1-CE2 4.1Å; V51-F80 HydrophobicContact CG1-CZ 4.28Å; V51-F80 HydrophobicContact CG2-CE2 4.21Å; V51-F80 HydrophobicContact CG2-CZ 4.46Å; W67-F80 CarbonylContact C-O 3.6Å; W67-F80 WeakPolarHBondContact CA-O 3.25Å; V68-F80 PolarHBondContact N-O 3.41Å; V68-F80 PolarHBondContact O-N 2.97Å; T70-F80 HydrophobicContact CG2-CD2 4.49Å; T70-F80 HydrophobicContact CG2-CE2 4.48Å; R78-F80 HydrophobicContact CB-CD2 4.25Å; R78-F80 HydrophobicContact CB-CE2 3.48Å; R78-F80 VanDerWaalsContact CB-CE2 3.48Å; R78-F80 HydrophobicContact CB-CZ 4.03Å; R78-F80 HydrophobicContact CG-CE2 4.42Å; F80-Y82 PolarHBondContact O-N 3.42Å; F80-D86 CarbonylContact C-O 3.17Å; F80-D86 VanDerWaalsContact CA-O 3.3Å; F80-D86 WeakPolarHBondContact CA-O 3.3Å; F80-R87 HydrophobicContact CD1-CB 3.84Å; F80-R87 HydrophobicContact CD1-CG 4.22Å; F80-R87 HydrophobicContact CE1-CB 3.73Å; F80-R87 HydrophobicContact CE1-CG 3.9Å; F80-R87 HydrophobicContact CZ-CG 4.32Å |
| 81 | N | 97.5 | Very high | 97.4 | Very high | 36 Ų | 36 | 43.6 Ų | 43.6 | 19% | 0.193 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 119.6 | 168.4 | -175.3 | -56.5 | 0 | 0 | 0 | 108.8 | S66 N83 T84 L85 D86 V88 | S66-N81 WeakPolarHBondContact O-CA 3.48Å; N81-N83 VanDerWaalsContact C-N 3.26Å; N81-N83 PolarHBondContact O-N 3.28Å; N81-N83 WeakPolarHBondContact OD1-CA 3.45Å; N81-N83 VanDerWaalsContact OD1-CB 3.31Å; N81-N83 WeakPolarHBondContact OD1-CB 3.49Å; N81-N83 PolarHBondContact OD1-N 3.38Å; N81-T84 PolarHBondContact OD1-N 3.37Å; N81-L85 WeakPolarHBondContact O-CA 3.42Å; N81-L85 PolarHBondContact O-N 2.75Å; N81-D86 PolarHBondContact N-O 3.07Å; N81-V88 HydrophobicContact CB-CG2 4.36Å |
| 82 | Y | 95.6 | Very high | 97.3 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.6 | -175.1 | 55.8 | -111 | 0 | 0 | 0 | 114.3 | H20 W25 F61 S66 W67 V68 F80 | H20-Y82 AromaticContact NE2-CZ 3.73Å; H20-Y82 PolarHBondContact NE2-OH 2.81Å; H20-Y82 VanDerWaalsContact NE2-OH 3.09Å; W25-Y82 AromaticContact CZ3-CD2 3.98Å; W25-Y82 HydrophobicContact CZ3-CD2 3.98Å; W25-Y82 HydrophobicContact CZ3-CE2 4.16Å; F61-Y82 AromaticContact CD1-CD1 3.74Å; F61-Y82 HydrophobicContact CD1-CD1 3.74Å; F61-Y82 AromaticContact CD1-CE1 3.75Å; F61-Y82 HydrophobicContact CD1-CE1 3.75Å; F61-Y82 AromaticContact CE1-CD1 3.82Å; F61-Y82 HydrophobicContact CE1-CD1 3.82Å; F61-Y82 HydrophobicContact CE1-CE1 4.11Å; F61-Y82 HydrophobicContact CE1-CG 4.23Å; S66-Y82 WeakPolarHBondContact CA-OH 3.41Å; S66-Y82 WeakPolarHBondContact O-CD1 3.46Å; S66-Y82 WeakPolarHBondContact O-CE1 3.22Å; S66-Y82 PolarHBondContact O-N 3.42Å; W67-Y82 VanDerWaalsContact C-CD1 3.49Å; W67-Y82 WeakPolarHBondContact O-CD1 3.43Å; V68-Y82 HydrophobicContact CG2-CD1 4.11Å; F80-Y82 PolarHBondContact O-N 3.42Å |
| 83 | N | 94.6 | Very high | 97.3 | Very high | 90 Ų | 90 | 49.8 Ų | 49.8 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -44.2 | 174 | -61.9 | -37.8 | 0 | 0 | 0 | 110.7 | N81 | N81-N83 VanDerWaalsContact C-N 3.26Å; N81-N83 PolarHBondContact O-N 3.28Å; N81-N83 WeakPolarHBondContact OD1-CA 3.45Å; N81-N83 VanDerWaalsContact OD1-CB 3.31Å; N81-N83 WeakPolarHBondContact OD1-CB 3.49Å; N81-N83 PolarHBondContact OD1-N 3.38Å |
| 84 | T | 95.1 | Very high | 97.3 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -17.6 | -176.6 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | N81 D86 | N81-T84 PolarHBondContact OD1-N 3.37Å; T84-D86 WeakPolarHBondContact CB-OD2 3.33Å; T84-D86 PolarHBondContact O-N 2.88Å; T84-D86 WeakPolarHBondContact OG1-CB 3.44Å; T84-D86 VanDerWaalsContact OG1-CG 3.26Å; T84-D86 PolarHBondContact OG1-N 3.38Å; T84-D86 PolarHBondContact OG1-OD2 2.82Å |
| 85 | L | 93.1 | Very high | 97.3 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | trans | 65.2 | 9.8 | -169.3 | -56.3 | 175.4 | 0 | 0 | 0 | 114.8 | K47 N81 | K47-L85 HydrophobicContact CB-CD2 4.28Å; K47-L85 HydrophobicContact CD-CD1 4.18Å; K47-L85 HydrophobicContact CD-CD2 4.08Å; K47-L85 HydrophobicContact CD-CG 4.34Å; K47-L85 HydrophobicContact CG-CD2 4.3Å; N81-L85 WeakPolarHBondContact O-CA 3.42Å; N81-L85 PolarHBondContact O-N 2.75Å | ||
| 86 | D | 96.3 | Very high | 97.3 | Very high | 104 Ų | 104 | 51.5 Ų | 51.5 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | trans | -72.5 | 138.3 | 177.4 | -61 | -46.6 | 0 | 0 | 0 | 111.5 | F80 N81 T84 V88 | F80-D86 CarbonylContact C-O 3.17Å; F80-D86 VanDerWaalsContact CA-O 3.3Å; F80-D86 WeakPolarHBondContact CA-O 3.3Å; N81-D86 PolarHBondContact N-O 3.07Å; T84-D86 WeakPolarHBondContact CB-OD2 3.33Å; T84-D86 PolarHBondContact O-N 2.88Å; T84-D86 WeakPolarHBondContact OG1-CB 3.44Å; T84-D86 VanDerWaalsContact OG1-CG 3.26Å; T84-D86 PolarHBondContact OG1-N 3.38Å; T84-D86 PolarHBondContact OG1-OD2 2.82Å; D86-V88 PolarHBondContact O-N 2.84Å | ||
| 87 | R | 97.6 | Very high | 97.3 | Very high | 156 Ų | 156 | 54.3 Ų | 54.3 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 117.9 | 172.7 | -172.5 | 174.4 | 62.6 | -158.5 | -13.2 | 110 | A79 F80 | A79-R87 CarbonylContact O-C 3.55Å; F80-R87 HydrophobicContact CD1-CB 3.84Å; F80-R87 HydrophobicContact CD1-CG 4.22Å; F80-R87 HydrophobicContact CE1-CB 3.73Å; F80-R87 HydrophobicContact CE1-CG 3.9Å; F80-R87 HydrophobicContact CZ-CG 4.32Å |
| 88 | V | 97.3 | Very high | 97.3 | Very high | 66 Ų | 66 | 54.3 Ų | 54.3 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -44.4 | 177.5 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | W67 A79 N81 D86 | W67-V88 HydrophobicContact CH2-CG1 4.19Å; W67-V88 HydrophobicContact CZ2-CG1 3.71Å; A79-V88 HydrophobicContact CB-CB 4.19Å; A79-V88 PolarHBondContact O-N 3Å; N81-V88 HydrophobicContact CB-CG2 4.36Å; D86-V88 PolarHBondContact O-N 2.84Å |
| 89 | T | 97.7 | Very high | 97.3 | Very high | 30 Ų | 30 | 56.2 Ų | 56.2 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 160 | 178.1 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | R78 A79 F91 F128 | R78-T89 WeakPolarHBondContact CA-O 3.33Å; A79-T89 HydrophobicContact CB-CG2 3.82Å; A79-T89 PolarHBondContact N-O 2.8Å; A79-T89 PolarHBondContact O-N 2.85Å; T89-F91 HydrophobicContact CG2-CD1 4.16Å; T89-F91 HydrophobicContact CG2-CE1 3.99Å; T89-F128 HydrophobicContact CG2-CD1 3.96Å; T89-F128 HydrophobicContact CG2-CD2 3.9Å; T89-F128 HydrophobicContact CG2-CE1 3.65Å; T89-F128 HydrophobicContact CG2-CE2 3.58Å; T89-F128 HydrophobicContact CG2-CG 4.09Å; T89-F128 HydrophobicContact CG2-CZ 3.44Å; T89-F128 VanDerWaalsContact CG2-CZ 3.44Å |
| 90 | Q | 97.5 | Very high | 97.3 | Very high | 77 Ų | 77 | 56.8 Ų | 56.8 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 131.7 | 168.7 | 172 | 176.9 | -34.5 | 0 | 0 | 108.6 | I77 R78 | I77-Q90 WeakPolarHBondContact O-CA 3.43Å; R78-Q90 HydrophobicContact CG-CB 3.97Å; R78-Q90 HydrophobicContact CG-CG 3.85Å; R78-Q90 VanDerWaalsContact NE-OE1 3.08Å |
| 91 | F | 98.2 | Very high | 97.3 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 17% | 0.167 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 155 | 175.4 | 59.5 | -85.7 | 0 | 0 | 0 | 111 | Q76 I77 T89 A93 F110 W122 F128 | Q76-F91 WeakPolarHBondContact CA-O 3.43Å; Q76-F91 PolarHBondContact OE1-O 2.87Å; I77-F91 HydrophobicContact CB-CE1 4.36Å; I77-F91 HydrophobicContact CB-CE2 4.22Å; I77-F91 HydrophobicContact CB-CZ 3.93Å; I77-F91 HydrophobicContact CG2-CE1 4.26Å; I77-F91 HydrophobicContact CG2-CZ 4Å; I77-F91 PolarHBondContact N-O 2.79Å; I77-F91 PolarHBondContact O-N 2.71Å; I77-F91 VanDerWaalsContact O-N 3.13Å; T89-F91 HydrophobicContact CG2-CD1 4.16Å; T89-F91 HydrophobicContact CG2-CE1 3.99Å; F91-A93 HydrophobicContact CD2-CB 4.29Å; F91-A93 HydrophobicContact CE2-CB 3.9Å; F91-A93 PolarHBondContact O-N 2.87Å; F91-F110 HydrophobicContact CZ-CZ 4.14Å; F91-W122 HydrophobicContact CD2-CH2 4.11Å; F91-W122 AromaticContact CD2-CZ3 3.95Å; F91-W122 HydrophobicContact CD2-CZ3 3.95Å; F91-W122 HydrophobicContact CE2-CD2 4Å; F91-W122 AromaticContact CE2-CE3 3.61Å; F91-W122 HydrophobicContact CE2-CE3 3.61Å; F91-W122 AromaticContact CE2-CH2 3.63Å; F91-W122 HydrophobicContact CE2-CH2 3.63Å; F91-W122 HydrophobicContact CE2-CZ2 4.02Å; F91-W122 AromaticContact CE2-CZ3 3.4Å; F91-W122 HydrophobicContact CE2-CZ3 3.4Å; F91-W122 HydrophobicContact CZ-CD2 4.26Å; F91-W122 HydrophobicContact CZ-CE3 4.01Å; F91-W122 HydrophobicContact CZ-CZ3 4.24Å; F91-F128 HydrophobicContact CD1-CB 4.28Å; F91-F128 HydrophobicContact CE1-CB 3.69Å; F91-F128 AromaticContact CE1-CD1 3.75Å; F91-F128 HydrophobicContact CE1-CD1 3.75Å; F91-F128 AromaticContact CE1-CG 3.87Å; F91-F128 HydrophobicContact CE1-CG 3.87Å; F91-F128 HydrophobicContact CZ-CB 4.04Å; F91-F128 HydrophobicContact CZ-CD1 4.2Å; F91-F128 HydrophobicContact CZ-CG 4.48Å |
| 92 | E | 98.2 | Very high | 97.4 | Very high | 128 Ų | 128 | 55.1 Ų | 55.1 | 60% | 0.598 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 114.2 | 172.9 | -165.8 | 175.3 | 140.8 | 0 | 0 | 108.9 | M75 Q76 H94 | M75-E92 HydrophobicContact CB-CG 4.34Å; Q76-E92 VanDerWaalsContact NE2-CB 3.35Å; E92-H94 WeakPolarHBondContact CG-O 3.27Å |
| 93 | A | 97.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | trans | -94.2 | -37.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M75 I77 F91 K120 W122 | M75-A93 PolarHBondContact O-N 2.85Å; I77-A93 HydrophobicContact CB-CB 4.1Å; I77-A93 HydrophobicContact CD1-CB 3.45Å; I77-A93 VanDerWaalsContact CD1-CB 3.45Å; I77-A93 HydrophobicContact CG1-CB 3.55Å; F91-A93 HydrophobicContact CD2-CB 4.29Å; F91-A93 HydrophobicContact CE2-CB 3.9Å; F91-A93 PolarHBondContact O-N 2.87Å; A93-K120 VanDerWaalsContact O-CD 3.29Å; A93-K120 WeakPolarHBondContact O-CD 3.31Å; A93-K120 PolarHBondContact O-NZ 2.84Å; A93-W122 HydrophobicContact CB-CH2 4.12Å; A93-W122 HydrophobicContact CB-CZ2 3.61Å; A93-W122 WeakPolarHBondContact O-CZ2 3.43Å | ||
| 94 | H | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | trans | -133.1 | 170.3 | -174.2 | -74.3 | -85.9 | 0 | 0 | 0 | 110.5 | M75 E92 V98 S112 S114 D116 | M75-H94 VanDerWaalsContact CB-O 3.28Å; M75-H94 WeakPolarHBondContact CB-O 3.4Å; M75-H94 PolarHBondContact O-N 2.99Å; E92-H94 WeakPolarHBondContact CG-O 3.27Å; H94-V98 HydrophobicContact CB-CG2 4.38Å; H94-S112 PolarHBondContact CD2-OG 3.48Å; H94-S112 WeakPolarHBondContact NE2-CB 3.17Å; H94-S112 PolarHBondContact NE2-OG 3.48Å; H94-S114 WeakPolarHBondContact CB-OG 3.47Å; H94-S114 WeakPolarHBondContact ND1-CB 3.34Å; H94-D116 WeakPolarHBondContact CB-OD2 3.44Å; H94-D116 IonicContact CE1-OD1 3.41Å; H94-D116 IonicContact CE1-OD2 3.73Å; H94-D116 IonicContact CG-OD2 3.28Å; H94-D116 VanDerWaalsContact ND1-CG 3.32Å; H94-D116 IonicContact ND1-OD1 3.94Å; H94-D116 PolarHBondContact ND1-OD1 3.34Å; H94-D116 IonicContact ND1-OD2 3.11Å; H94-D116 PolarHBondContact ND1-OD2 3.06Å | ||
| 95 | S | 97.9 | Very high | 97.6 | Very high | 84 Ų | 84 | 51.9 Ų | 51.9 | 59% | 0.587 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -97.4 | 5.5 | 174.1 | 57 | 0 | 0 | 0 | 0 | 113.2 | D116 | S95-D116 PolarHBondContact N-OD2 2.96Å; S95-D116 WeakPolarHBondContact OG-CB 3.37Å |
| 96 | D | 98.4 | Very high | 97.7 | Very high | 51 Ų | 51 | 53.2 Ų | 53.2 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -153 | -177.6 | 179.9 | -148.7 | -29.7 | 0 | 0 | 0 | 109.5 | V98 S114 D115 D116 | D96-V98 PolarHBondContact O-N 3.18Å; D96-S114 PolarHBondContact O-OG 2.82Å; D96-S114 VanDerWaalsContact O-OG 3.11Å; D96-D115 HydrophobicContact CB-CB 3.9Å; D96-D116 HydrophobicContact CB-CB 4.09Å |
| 97 | Y | 98.6 | Very high | 97.7 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 35% | 0.349 | 27% | 0.268 | S | S | . | . | trans | -54.2 | 133.4 | -173.1 | -60.4 | -16.4 | 0 | 0 | 0 | 113 | D73 S114 D115 | D73-Y97 HydrophobicContact CB-CD1 3.62Å; D73-Y97 HydrophobicContact CB-CE1 3.77Å; D73-Y97 HydrophobicContact CB-CG 4.1Å; D73-Y97 WeakPolarHBondContact O-CD1 3.36Å; D73-Y97 WeakPolarHBondContact O-CE1 3.35Å; Y97-S114 WeakPolarHBondContact O-CA 3.3Å; Y97-S114 VanDerWaalsContact O-CB 3.28Å; Y97-S114 WeakPolarHBondContact O-CB 3.39Å; Y97-S114 PolarHBondContact O-OG 2.59Å; Y97-D115 PolarHBondContact O-N 3.18Å | ||
| 98 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.7 | 175.1 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | R57 V58 S72 H94 D96 | R57-V98 WeakPolarHBondContact CB-O 3.48Å; R57-V98 WeakPolarHBondContact CD-O 3.19Å; V58-V98 HydrophobicContact CG1-CG1 4.46Å; S72-V98 PolarHBondContact O-N 3.01Å; H94-V98 HydrophobicContact CB-CG2 4.38Å; D96-V98 PolarHBondContact O-N 3.18Å |
| 99 | R | 98.5 | Very high | 97.7 | Very high | 54 Ų | 54 | 44.5 Ų | 44.5 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -44.1 | -173.2 | -69.3 | -70.9 | 178.2 | 165.8 | -1.9 | 113.3 | S113 D115 V141 | R99-S113 PolarHBondContact N-O 2.67Å; R99-D115 VanDerWaalsContact CG-OD1 3.29Å; R99-D115 WeakPolarHBondContact CG-OD1 3.42Å; R99-D115 IonicContact CZ-OD1 3.68Å; R99-D115 IonicContact CZ-OD2 3.37Å; R99-D115 IonicContact NE-OD1 3.68Å; R99-D115 PolarHBondContact NE-OD1 2.97Å; R99-D115 IonicContact NE-OD2 2.79Å; R99-D115 PolarHBondContact NE-OD2 3.05Å; R99-D115 IonicContact NH2-OD1 2.95Å; R99-D115 PolarHBondContact NH2-OD1 3.2Å; R99-D115 IonicContact NH2-OD2 3.62Å; R99-D115 PolarHBondContact NH2-OD2 3.39Å; R99-V141 WeakPolarHBondContact CB-O 3.47Å |
| 100 | S | 98.5 | Very high | 97.7 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 151.1 | -172.2 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | S112 S113 V144 | S100-S112 CarbonylContact O-C 3.38Å; S100-S112 VanDerWaalsContact O-CA 3.31Å; S100-S112 WeakPolarHBondContact O-CA 3.42Å; S100-S113 WeakPolarHBondContact CB-OG 3.47Å; S100-S113 PolarHBondContact N-OG 3.49Å; S100-S113 PolarHBondContact O-N 2.6Å; S100-V144 PolarHBondContact OG-N 2.85Å |
| 101 | I | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.4 | 173.9 | -72.4 | 171.6 | 0 | 0 | 0 | 107.4 | V58 K60 L69 I77 V103 F110 L111 | V58-I101 HydrophobicContact CG1-CB 4.04Å; V58-I101 HydrophobicContact CG1-CD1 3.64Å; V58-I101 HydrophobicContact CG1-CG1 3.65Å; V58-I101 HydrophobicContact CG2-CB 3.95Å; K60-I101 HydrophobicContact CG-CG2 4.39Å; L69-I101 HydrophobicContact CD2-CD1 3.89Å; L69-I101 HydrophobicContact CD2-CG2 3.67Å; I77-I101 HydrophobicContact CD1-CD1 4.21Å; I77-I101 HydrophobicContact CG1-CD1 4.3Å; I101-V103 HydrophobicContact CG2-CG2 4.37Å; I101-F110 HydrophobicContact CG2-CB 4.41Å; I101-F110 HydrophobicContact CG2-CD2 4.27Å; I101-L111 WeakPolarHBondContact CA-O 3.33Å |
| 102 | A | 98.3 | Very high | 97.8 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | F110 L111 V144 F146 | A102-F110 CarbonylContact O-C 3.6Å; A102-F110 WeakPolarHBondContact O-CA 3.41Å; A102-F110 WeakPolarHBondContact O-CB 3.21Å; A102-L111 HydrophobicContact CB-CB 4.41Å; A102-L111 PolarHBondContact N-O 2.81Å; A102-L111 PolarHBondContact O-N 3.2Å; A102-V144 HydrophobicContact CB-CG2 4.04Å; A102-F146 HydrophobicContact CB-CD2 3.83Å; A102-F146 HydrophobicContact CB-CE2 4.11Å; A102-F146 WeakPolarHBondContact O-CE2 3.38Å |
| 103 | V | 98.2 | Very high | 97.9 | Very high | 39 Ų | 39 | 31.5 Ų | 31.5 | 24% | 0.236 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.7 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | K60 V62 I101 F110 W124 | K60-V103 HydrophobicContact CB-CG2 4.11Å; V62-V103 HydrophobicContact CG2-CG1 4.27Å; V62-V103 HydrophobicContact CG2-CG2 4.04Å; I101-V103 HydrophobicContact CG2-CG2 4.37Å; V103-F110 HydrophobicContact CG2-CB 4.42Å; V103-W124 HydrophobicContact CG1-CH2 4.05Å; V103-W124 HydrophobicContact CG1-CZ3 4.38Å |
| 104 | H | 98 | Very high | 97.9 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | trans | -66.7 | 137.1 | 175.9 | -172.8 | -74.9 | 0 | 0 | 0 | 109.2 | R64 T106 L107 Y109 F146 N151 | R64-H104 PolarHBondContact NH2-O 2.7Å; H104-T106 PolarHBondContact CE1-OG1 3.41Å; H104-T106 PolarHBondContact ND1-N 2.97Å; H104-T106 VanDerWaalsContact ND1-N 3.12Å; H104-T106 PolarHBondContact O-N 3.4Å; H104-L107 PolarHBondContact CE1-N 2.76Å; H104-L107 PolarHBondContact ND1-N 2.9Å; H104-Y109 WeakPolarHBondContact CB-O 3.33Å; H104-Y109 PolarHBondContact N-O 2.94Å; H104-F146 HydrophobicContact CB-CD2 4.44Å; H104-F146 HydrophobicContact CB-CE2 3.81Å; H104-F146 HydrophobicContact CB-CZ 3.87Å; H104-F146 AromaticContact CD2-CE1 3.67Å; H104-F146 AromaticContact CD2-CZ 3.81Å; H104-N151 PolarHBondContact CD2-O 3.3Å; H104-N151 PolarHBondContact NE2-O 2.76Å; H104-N151 VanDerWaalsContact NE2-O 3.16Å | ||
| 105 | P | 93.7 | Very high | 97.9 | Very high | 73 Ų | 73 | 31.5 Ų | 31.5 | 47% | 0.474 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -69.5 | -31.7 | -172.4 | 24.6 | -34.8 | 0 | 0 | 0 | 114 | N151 | P105-N151 HydrophobicContact CG-CB 4.04Å; P105-N151 WeakPolarHBondContact CG-ND2 3.16Å; P105-N151 WeakPolarHBondContact CG-OD1 3.29Å |
| 106 | T | 94.4 | Very high | 97.9 | Very high | 92 Ų | 92 | 28.8 Ų | 28.8 | 56% | 0.564 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -120.1 | -50.6 | -174.5 | 61.3 | 0 | 0 | 0 | 0 | 115.2 | R64 H104 | R64-T106 PolarHBondContact NH1-O 2.85Å; H104-T106 PolarHBondContact CE1-OG1 3.41Å; H104-T106 PolarHBondContact ND1-N 2.97Å; H104-T106 VanDerWaalsContact ND1-N 3.12Å; H104-T106 PolarHBondContact O-N 3.4Å |
| 107 | L | 96.7 | Very high | 97.9 | Very high | 75 Ų | 75 | 30.2 Ų | 30.2 | 39% | 0.393 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -71.3 | 156.2 | 175.8 | -59.3 | 178.6 | 0 | 0 | 0 | 112.7 | R64 H104 Y109 | R64-L107 PolarHBondContact NH1-O 2.81Å; R64-L107 PolarHBondContact NH2-O 3.25Å; H104-L107 PolarHBondContact CE1-N 2.76Å; H104-L107 PolarHBondContact ND1-N 2.9Å; L107-Y109 HydrophobicContact CB-CD2 3.77Å; L107-Y109 HydrophobicContact CB-CE2 4.04Å; L107-Y109 HydrophobicContact CB-CG 4.19Å; L107-Y109 HydrophobicContact CD1-CD2 3.92Å; L107-Y109 HydrophobicContact CD1-CE2 3.68Å; L107-Y109 HydrophobicContact CG-CE2 4.48Å; L107-Y109 PolarHBondContact O-N 3.4Å |
| 108 | P | 97.5 | Very high | 97.9 | Very high | 25 Ų | 25 | 26.9 Ų | 26.9 | 16% | 0.162 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -76.9 | 45.1 | -177.8 | 34.6 | -38.3 | 0 | 0 | 0 | 113.5 | W124 D125 | P108-W124 HydrophobicContact CB-CD2 3.99Å; P108-W124 VanDerWaalsContact CB-CE2 3.47Å; P108-W124 HydrophobicContact CB-CG 4.32Å; P108-W124 HydrophobicContact CB-CZ2 3.9Å; P108-W124 VanDerWaalsContact CB-NE1 3.31Å; P108-W124 PolarHBondContact O-N 3.32Å; P108-D125 HydrophobicContact CB-CB 4.01Å; P108-D125 WeakPolarHBondContact CB-OD2 3.18Å; P108-D125 HydrophobicContact CG-CB 4.04Å; P108-D125 WeakPolarHBondContact CG-OD2 3.32Å |
| 109 | Y | 97.9 | Very high | 97.9 | Very high | 43 Ų | 43 | 26.9 Ų | 26.9 | 17% | 0.169 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 150.5 | -173.4 | -57.9 | -26.9 | 0 | 0 | 0 | 113.1 | H104 L107 L121 W122 D123 W124 K131 | H104-Y109 WeakPolarHBondContact CB-O 3.33Å; H104-Y109 PolarHBondContact N-O 2.94Å; L107-Y109 HydrophobicContact CB-CD2 3.77Å; L107-Y109 HydrophobicContact CB-CE2 4.04Å; L107-Y109 HydrophobicContact CB-CG 4.19Å; L107-Y109 HydrophobicContact CD1-CD2 3.92Å; L107-Y109 HydrophobicContact CD1-CE2 3.68Å; L107-Y109 HydrophobicContact CG-CE2 4.48Å; L107-Y109 PolarHBondContact O-N 3.4Å; Y109-L121 HydrophobicContact CD2-CD1 4.28Å; Y109-L121 HydrophobicContact CD2-CD2 4.41Å; Y109-L121 HydrophobicContact CG-CD1 4.16Å; Y109-W122 WeakPolarHBondContact CA-O 3.47Å; Y109-D123 HydrophobicContact CD1-CB 3.87Å; Y109-D123 HydrophobicContact CE1-CB 3.76Å; Y109-D123 WeakPolarHBondContact CE1-OD2 3.38Å; Y109-W124 WeakPolarHBondContact O-CZ3 3.29Å; Y109-K131 HydrophobicContact CE1-CD 3.89Å; Y109-K131 PolarHBondContact OH-NZ 3.3Å |
| 110 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 153.5 | 158.9 | 65 | -88.2 | 0 | 0 | 0 | 110.3 | L69 I77 F91 I101 A102 V103 W122 W124 F128 | L69-F110 HydrophobicContact CD1-CE1 4.24Å; L69-F110 HydrophobicContact CD2-CB 4.4Å; L69-F110 HydrophobicContact CD2-CD1 3.82Å; L69-F110 HydrophobicContact CD2-CD2 3.58Å; L69-F110 HydrophobicContact CD2-CE1 3.92Å; L69-F110 HydrophobicContact CD2-CE2 3.68Å; L69-F110 HydrophobicContact CD2-CG 3.66Å; L69-F110 HydrophobicContact CD2-CZ 3.84Å; I77-F110 HydrophobicContact CD1-CE2 3.75Å; I77-F110 HydrophobicContact CD1-CZ 4.5Å; I77-F110 HydrophobicContact CG2-CE2 4.23Å; I77-F110 HydrophobicContact CG2-CZ 4.17Å; F91-F110 HydrophobicContact CZ-CZ 4.14Å; I101-F110 HydrophobicContact CG2-CB 4.41Å; I101-F110 HydrophobicContact CG2-CD2 4.27Å; A102-F110 CarbonylContact O-C 3.6Å; A102-F110 WeakPolarHBondContact O-CA 3.41Å; A102-F110 WeakPolarHBondContact O-CB 3.21Å; V103-F110 HydrophobicContact CG2-CB 4.42Å; F110-W122 HydrophobicContact CD1-CB 4.02Å; F110-W122 HydrophobicContact CD2-CB 4.14Å; F110-W122 AromaticContact CD2-CD1 3.69Å; F110-W122 HydrophobicContact CD2-CG 4.19Å; F110-W122 HydrophobicContact CE1-CB 3.51Å; F110-W122 HydrophobicContact CE1-CG 4.23Å; F110-W122 HydrophobicContact CE2-CB 3.63Å; F110-W122 AromaticContact CE2-CD1 3.18Å; F110-W122 HydrophobicContact CE2-CD2 4.42Å; F110-W122 AromaticContact CE2-CG 3.47Å; F110-W122 HydrophobicContact CE2-CG 3.47Å; F110-W122 VanDerWaalsContact CE2-CG 3.47Å; F110-W122 AromaticContact CE2-NE1 3.96Å; F110-W122 HydrophobicContact CG-CB 4.32Å; F110-W122 HydrophobicContact CZ-CB 3.29Å; F110-W122 AromaticContact CZ-CD1 3.74Å; F110-W122 HydrophobicContact CZ-CD2 4.36Å; F110-W122 AromaticContact CZ-CG 3.5Å; F110-W122 HydrophobicContact CZ-CG 3.5Å; F110-W122 PolarHBondContact N-O 3.04Å; F110-W122 PolarHBondContact O-N 3.45Å; F110-W124 HydrophobicContact CB-CZ3 4.37Å; F110-W124 AromaticContact CD1-CE3 3.71Å; F110-W124 HydrophobicContact CD1-CE3 3.71Å; F110-W124 AromaticContact CD1-CZ3 3.91Å; F110-W124 HydrophobicContact CD1-CZ3 3.91Å; F110-W124 HydrophobicContact CE1-CE3 4.28Å; F110-F128 AromaticContact CE1-CD1 3.85Å; F110-F128 HydrophobicContact CE1-CD1 3.85Å; F110-F128 HydrophobicContact CE1-CE1 4.11Å; F110-F128 HydrophobicContact CZ-CD1 4.2Å |
| 111 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 145.1 | 169.5 | -66.3 | 166.2 | 0 | 0 | 0 | 109 | I101 A102 I119 K120 L121 F134 V144 F146 F154 | I101-L111 WeakPolarHBondContact CA-O 3.33Å; A102-L111 HydrophobicContact CB-CB 4.41Å; A102-L111 PolarHBondContact N-O 2.81Å; A102-L111 PolarHBondContact O-N 3.2Å; L111-I119 HydrophobicContact CB-CG2 4.28Å; L111-I119 HydrophobicContact CD2-CG2 3.99Å; L111-K120 CarbonylContact C-O 3.5Å; L111-K120 VanDerWaalsContact CA-O 3.27Å; L111-K120 WeakPolarHBondContact CA-O 3.39Å; L111-L121 HydrophobicContact CD2-CB 4.02Å; L111-L121 HydrophobicContact CD2-CD1 3.68Å; L111-L121 HydrophobicContact CD2-CG 4.49Å; L111-L121 HydrophobicContact CG-CD1 4.21Å; L111-F134 HydrophobicContact CD2-CE2 3.85Å; L111-V144 HydrophobicContact CB-CG2 4.11Å; L111-F146 HydrophobicContact CD1-CD1 4.38Å; L111-F146 HydrophobicContact CD1-CD2 4.38Å; L111-F146 HydrophobicContact CD1-CE1 3.77Å; L111-F146 HydrophobicContact CD1-CE2 3.77Å; L111-F146 HydrophobicContact CD1-CZ 3.43Å; L111-F146 VanDerWaalsContact CD1-CZ 3.43Å; L111-F146 HydrophobicContact CG-CE1 4.38Å; L111-F146 HydrophobicContact CG-CE2 3.98Å; L111-F146 HydrophobicContact CG-CZ 3.63Å; L111-F154 HydrophobicContact CD1-CB 3.86Å; L111-F154 HydrophobicContact CD1-CD1 3.68Å; L111-F154 HydrophobicContact CD1-CD2 3.61Å; L111-F154 HydrophobicContact CD1-CE1 4.04Å; L111-F154 HydrophobicContact CD1-CE2 3.99Å; L111-F154 HydrophobicContact CD1-CG 3.44Å; L111-F154 VanDerWaalsContact CD1-CG 3.44Å; L111-F154 HydrophobicContact CD1-CZ 4.18Å; L111-F154 HydrophobicContact CD2-CE1 4.21Å; L111-F154 HydrophobicContact CD2-CZ 4.18Å |
| 112 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.3 | 163.8 | 60.7 | 0 | 0 | 0 | 0 | 110.2 | H94 S100 I119 K120 W122 | H94-S112 PolarHBondContact CD2-OG 3.48Å; H94-S112 WeakPolarHBondContact NE2-CB 3.17Å; H94-S112 PolarHBondContact NE2-OG 3.48Å; S100-S112 CarbonylContact O-C 3.38Å; S100-S112 VanDerWaalsContact O-CA 3.31Å; S100-S112 WeakPolarHBondContact O-CA 3.42Å; S112-I119 CarbonylContact O-C 3.6Å; S112-I119 VanDerWaalsContact O-CA 3.27Å; S112-I119 WeakPolarHBondContact O-CA 3.46Å; S112-I119 WeakPolarHBondContact O-CG2 3.18Å; S112-K120 PolarHBondContact N-O 3.22Å; S112-K120 PolarHBondContact O-N 3.24Å; S112-W122 PolarHBondContact OG-NE1 3.33Å |
| 113 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 151.3 | 175.7 | 78.4 | 0 | 0 | 0 | 0 | 111 | R99 S100 V141 | R99-S113 PolarHBondContact N-O 2.67Å; S100-S113 WeakPolarHBondContact CB-OG 3.47Å; S100-S113 PolarHBondContact N-OG 3.49Å; S100-S113 PolarHBondContact O-N 2.6Å; S113-V141 WeakPolarHBondContact CB-O 3.31Å; S113-V141 PolarHBondContact OG-O 3.44Å |
| 114 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 167.3 | -170.4 | 177.3 | 0 | 0 | 0 | 0 | 113.8 | H94 D96 Y97 D116 M117 T118 V141 | H94-S114 WeakPolarHBondContact CB-OG 3.47Å; H94-S114 WeakPolarHBondContact ND1-CB 3.34Å; D96-S114 PolarHBondContact O-OG 2.82Å; D96-S114 VanDerWaalsContact O-OG 3.11Å; Y97-S114 WeakPolarHBondContact O-CA 3.3Å; Y97-S114 VanDerWaalsContact O-CB 3.28Å; Y97-S114 WeakPolarHBondContact O-CB 3.39Å; Y97-S114 PolarHBondContact O-OG 2.59Å; S114-D116 WeakPolarHBondContact CB-OD1 3.47Å; S114-D116 PolarHBondContact O-N 2.88Å; S114-D116 PolarHBondContact OG-N 3.11Å; S114-M117 PolarHBondContact O-N 3.45Å; S114-T118 PolarHBondContact N-O 2.98Å; S114-V141 PolarHBondContact O-N 2.88Å |
| 115 | D | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.2 | 167.6 | -71.6 | 5.2 | 0 | 0 | 0 | 112.4 | D96 Y97 R99 M117 Y140 | D96-D115 HydrophobicContact CB-CB 3.9Å; Y97-D115 PolarHBondContact O-N 3.18Å; R99-D115 VanDerWaalsContact CG-OD1 3.29Å; R99-D115 WeakPolarHBondContact CG-OD1 3.42Å; R99-D115 IonicContact CZ-OD1 3.68Å; R99-D115 IonicContact CZ-OD2 3.37Å; R99-D115 IonicContact NE-OD1 3.68Å; R99-D115 PolarHBondContact NE-OD1 2.97Å; R99-D115 IonicContact NE-OD2 2.79Å; R99-D115 PolarHBondContact NE-OD2 3.05Å; R99-D115 IonicContact NH2-OD1 2.95Å; R99-D115 PolarHBondContact NH2-OD1 3.2Å; R99-D115 IonicContact NH2-OD2 3.62Å; R99-D115 PolarHBondContact NH2-OD2 3.39Å; D115-M117 PolarHBondContact O-N 2.91Å; D115-Y140 HydrophobicContact CB-CD1 3.53Å; D115-Y140 HydrophobicContact CB-CD2 4.43Å; D115-Y140 HydrophobicContact CB-CE1 3.76Å; D115-Y140 HydrophobicContact CB-CG 3.9Å; D115-Y140 VanDerWaalsContact O-CD1 3.22Å; D115-Y140 WeakPolarHBondContact O-CD1 3.32Å; D115-Y140 WeakPolarHBondContact OD1-CB 3.49Å |
| 116 | D | 98.4 | Very high | 98 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 15% | 0.15 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 7.4 | 170.6 | 77.2 | 6.2 | 0 | 0 | 0 | 114.3 | H94 S95 D96 S114 T118 K120 | H94-D116 WeakPolarHBondContact CB-OD2 3.44Å; H94-D116 IonicContact CE1-OD1 3.41Å; H94-D116 IonicContact CE1-OD2 3.73Å; H94-D116 IonicContact CG-OD2 3.28Å; H94-D116 VanDerWaalsContact ND1-CG 3.32Å; H94-D116 IonicContact ND1-OD1 3.94Å; H94-D116 PolarHBondContact ND1-OD1 3.34Å; H94-D116 IonicContact ND1-OD2 3.11Å; H94-D116 PolarHBondContact ND1-OD2 3.06Å; S95-D116 PolarHBondContact N-OD2 2.96Å; S95-D116 WeakPolarHBondContact OG-CB 3.37Å; D96-D116 HydrophobicContact CB-CB 4.09Å; S114-D116 WeakPolarHBondContact CB-OD1 3.47Å; S114-D116 PolarHBondContact O-N 2.88Å; S114-D116 PolarHBondContact OG-N 3.11Å; D116-T118 VanDerWaalsContact CG-OG1 3.29Å; D116-T118 PolarHBondContact O-N 2.99Å; D116-T118 WeakPolarHBondContact OD1-CB 3.47Å; D116-T118 PolarHBondContact OD1-N 3.29Å; D116-T118 PolarHBondContact OD1-OG1 3.31Å; D116-T118 PolarHBondContact OD2-OG1 3.05Å; D116-K120 IonicContact OD2-NZ 3.44Å |
| 117 | M | 98.6 | Very high | 98.1 | Very high | 81 Ų | 81 | 33 Ų | 33 | 40% | 0.399 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 68.5 | 6.5 | 179.1 | -44.5 | 179.6 | -172.5 | 0 | 0 | 114.7 | S114 D115 | S114-M117 PolarHBondContact O-N 3.45Å; D115-M117 PolarHBondContact O-N 2.91Å |
| 118 | T | 98.4 | Very high | 98.1 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | trans | -109.9 | 160.4 | -178.7 | 75.1 | 0 | 0 | 0 | 0 | 112.8 | S114 D116 V133 E135 | S114-T118 PolarHBondContact N-O 2.98Å; D116-T118 VanDerWaalsContact CG-OG1 3.29Å; D116-T118 PolarHBondContact O-N 2.99Å; D116-T118 WeakPolarHBondContact OD1-CB 3.47Å; D116-T118 PolarHBondContact OD1-N 3.29Å; D116-T118 PolarHBondContact OD1-OG1 3.31Å; D116-T118 PolarHBondContact OD2-OG1 3.05Å; T118-V133 HydrophobicContact CG2-CG1 4.13Å; T118-E135 HydrophobicContact CG2-CG 4.34Å | ||
| 119 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.1 | 165.5 | -53.5 | 161.2 | 0 | 0 | 0 | 106.8 | L111 S112 V133 F134 V141 V144 F154 S156 W166 | L111-I119 HydrophobicContact CB-CG2 4.28Å; L111-I119 HydrophobicContact CD2-CG2 3.99Å; S112-I119 CarbonylContact O-C 3.6Å; S112-I119 VanDerWaalsContact O-CA 3.27Å; S112-I119 WeakPolarHBondContact O-CA 3.46Å; S112-I119 WeakPolarHBondContact O-CG2 3.18Å; I119-V133 CarbonylContact O-C 3.48Å; I119-V133 WeakPolarHBondContact O-CA 3.31Å; I119-F134 HydrophobicContact CB-CB 4.15Å; I119-F134 HydrophobicContact CB-CD2 4.15Å; I119-F134 HydrophobicContact CG2-CD2 4.15Å; I119-F134 PolarHBondContact N-O 3.18Å; I119-F134 WeakPolarHBondContact O-CD2 3.19Å; I119-F134 PolarHBondContact O-N 2.72Å; I119-V141 HydrophobicContact CD1-CG1 3.97Å; I119-V141 HydrophobicContact CG1-CB 4.41Å; I119-V141 HydrophobicContact CG1-CG1 3.81Å; I119-V141 HydrophobicContact CG1-CG2 4.36Å; I119-V144 HydrophobicContact CD1-CG1 3.78Å; I119-V144 HydrophobicContact CG1-CG1 3.94Å; I119-V144 HydrophobicContact CG2-CG1 3.9Å; I119-F154 HydrophobicContact CD1-CE2 3.92Å; I119-F154 HydrophobicContact CG2-CE2 4.08Å; I119-F154 HydrophobicContact CG2-CZ 4.38Å; I119-S156 VanDerWaalsContact CD1-CB 3.42Å; I119-W166 HydrophobicContact CD1-CZ2 4.36Å |
| 120 | K | 98.6 | Very high | 98.1 | Very high | 39 Ų | 39 | 34.7 Ų | 34.7 | 17% | 0.17 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.4 | -179.3 | -65.3 | -178.9 | -172.4 | 173.4 | 0 | 111 | A93 L111 S112 D116 W122 Q132 V133 | A93-K120 VanDerWaalsContact O-CD 3.29Å; A93-K120 WeakPolarHBondContact O-CD 3.31Å; A93-K120 PolarHBondContact O-NZ 2.84Å; L111-K120 CarbonylContact C-O 3.5Å; L111-K120 VanDerWaalsContact CA-O 3.27Å; L111-K120 WeakPolarHBondContact CA-O 3.39Å; S112-K120 PolarHBondContact N-O 3.22Å; S112-K120 PolarHBondContact O-N 3.24Å; D116-K120 IonicContact OD2-NZ 3.44Å; K120-W122 HydrophobicContact CB-CZ2 3.93Å; K120-W122 HydrophobicContact CD-CH2 4.44Å; K120-W122 HydrophobicContact CD-CZ2 3.75Å; K120-W122 HydrophobicContact CG-CZ2 4.48Å; K120-Q132 WeakPolarHBondContact CA-O 3.49Å; K120-V133 HydrophobicContact CG-CG1 4.26Å; K120-V133 HydrophobicContact CG-CG2 4.22Å |
| 121 | L | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.1 | 174.2 | -177.2 | 73.4 | 0 | 0 | 0 | 109.7 | Y109 L111 C130 K131 Q132 F134 L168 | Y109-L121 HydrophobicContact CD2-CD1 4.28Å; Y109-L121 HydrophobicContact CD2-CD2 4.41Å; Y109-L121 HydrophobicContact CG-CD1 4.16Å; L111-L121 HydrophobicContact CD2-CB 4.02Å; L111-L121 HydrophobicContact CD2-CD1 3.68Å; L111-L121 HydrophobicContact CD2-CG 4.49Å; L111-L121 HydrophobicContact CG-CD1 4.21Å; L121-C130 CarbonylContact O-C 3.46Å; L121-C130 WeakPolarHBondContact O-CA 3.41Å; L121-K131 HydrophobicContact CD2-CB 4.16Å; L121-K131 HydrophobicContact CG-CB 4.49Å; L121-K131 PolarHBondContact O-N 2.69Å; L121-Q132 HydrophobicContact CB-CB 4.09Å; L121-Q132 HydrophobicContact CD2-CB 4.34Å; L121-Q132 PolarHBondContact N-O 3.1Å; L121-F134 HydrophobicContact CB-CE2 4.09Å; L121-L168 HydrophobicContact CD1-CD2 3.97Å; L121-L168 HydrophobicContact CD2-CD2 4.12Å |
| 122 | W | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 41 Ų | 41 | 6% | 0.064 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 144.5 | -177 | -56 | 90.5 | 0 | 0 | 0 | 111.1 | F91 A93 Y109 F110 S112 K120 F128 Q129 C130 | F91-W122 HydrophobicContact CD2-CH2 4.11Å; F91-W122 AromaticContact CD2-CZ3 3.95Å; F91-W122 HydrophobicContact CD2-CZ3 3.95Å; F91-W122 HydrophobicContact CE2-CD2 4Å; F91-W122 AromaticContact CE2-CE3 3.61Å; F91-W122 HydrophobicContact CE2-CE3 3.61Å; F91-W122 AromaticContact CE2-CH2 3.63Å; F91-W122 HydrophobicContact CE2-CH2 3.63Å; F91-W122 HydrophobicContact CE2-CZ2 4.02Å; F91-W122 AromaticContact CE2-CZ3 3.4Å; F91-W122 HydrophobicContact CE2-CZ3 3.4Å; F91-W122 HydrophobicContact CZ-CD2 4.26Å; F91-W122 HydrophobicContact CZ-CE3 4.01Å; F91-W122 HydrophobicContact CZ-CZ3 4.24Å; A93-W122 HydrophobicContact CB-CH2 4.12Å; A93-W122 HydrophobicContact CB-CZ2 3.61Å; A93-W122 WeakPolarHBondContact O-CZ2 3.43Å; Y109-W122 WeakPolarHBondContact CA-O 3.47Å; F110-W122 HydrophobicContact CD1-CB 4.02Å; F110-W122 HydrophobicContact CD2-CB 4.14Å; F110-W122 AromaticContact CD2-CD1 3.69Å; F110-W122 HydrophobicContact CD2-CG 4.19Å; F110-W122 HydrophobicContact CE1-CB 3.51Å; F110-W122 HydrophobicContact CE1-CG 4.23Å; F110-W122 HydrophobicContact CE2-CB 3.63Å; F110-W122 AromaticContact CE2-CD1 3.18Å; F110-W122 HydrophobicContact CE2-CD2 4.42Å; F110-W122 AromaticContact CE2-CG 3.47Å; F110-W122 HydrophobicContact CE2-CG 3.47Å; F110-W122 VanDerWaalsContact CE2-CG 3.47Å; F110-W122 AromaticContact CE2-NE1 3.96Å; F110-W122 HydrophobicContact CG-CB 4.32Å; F110-W122 HydrophobicContact CZ-CB 3.29Å; F110-W122 AromaticContact CZ-CD1 3.74Å; F110-W122 HydrophobicContact CZ-CD2 4.36Å; F110-W122 AromaticContact CZ-CG 3.5Å; F110-W122 HydrophobicContact CZ-CG 3.5Å; F110-W122 PolarHBondContact N-O 3.04Å; F110-W122 PolarHBondContact O-N 3.45Å; S112-W122 PolarHBondContact OG-NE1 3.33Å; K120-W122 HydrophobicContact CB-CZ2 3.93Å; K120-W122 HydrophobicContact CD-CH2 4.44Å; K120-W122 HydrophobicContact CD-CZ2 3.75Å; K120-W122 HydrophobicContact CG-CZ2 4.48Å; W122-F128 VanDerWaalsContact CE3-O 3.22Å; W122-Q129 WeakPolarHBondContact CA-O 3.48Å; W122-C130 HydrophobicContact CD2-CB 4.39Å; W122-C130 HydrophobicContact CE3-CB 3.81Å; W122-C130 HydrophobicContact CH2-CB 3.91Å; W122-C130 HydrophobicContact CZ2-CB 4.45Å; W122-C130 HydrophobicContact CZ3-CB 3.57Å |
| 123 | D | 98 | Very high | 97.9 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 106.9 | 177.4 | -177.8 | -11.4 | 0 | 0 | 0 | 110.9 | Y109 D125 N126 F128 Q129 K131 | Y109-D123 HydrophobicContact CD1-CB 3.87Å; Y109-D123 HydrophobicContact CE1-CB 3.76Å; Y109-D123 WeakPolarHBondContact CE1-OD2 3.38Å; D123-D125 PolarHBondContact OD1-N 2.8Å; D123-N126 HydrophobicContact CB-CB 4.19Å; D123-N126 CarbonylContact O-C 3.52Å; D123-N126 PolarHBondContact O-N 3.05Å; D123-N126 PolarHBondContact OD1-N 3.08Å; D123-N126 VanDerWaalsContact OD1-N 3.15Å; D123-F128 CarbonylContact O-C 3.58Å; D123-F128 WeakPolarHBondContact O-CA 3.42Å; D123-F128 PolarHBondContact O-N 2.57Å; D123-Q129 PolarHBondContact N-O 2.7Å; D123-Q129 PolarHBondContact O-N 2.92Å; D123-K131 HydrophobicContact CB-CD 3.95Å; D123-K131 HydrophobicContact CB-CG 4.15Å; D123-K131 VanDerWaalsContact OD2-CE 3.23Å; D123-K131 WeakPolarHBondContact OD2-CE 3.44Å; D123-K131 IonicContact OD2-NZ 3.67Å; D123-K131 PolarHBondContact OD2-NZ 3.19Å |
| 124 | W | 97.1 | Very high | 97.9 | Very high | 14 Ų | 14 | 43.8 Ų | 43.8 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -21.2 | -177.8 | 63.6 | 72.6 | 0 | 0 | 0 | 114 | V62 R64 W67 V103 P108 Y109 F110 F128 | V62-W124 HydrophobicContact CG1-CH2 4.13Å; V62-W124 HydrophobicContact CG1-CZ2 4.19Å; R64-W124 VanDerWaalsContact NH2-CZ2 3.28Å; W67-W124 HydrophobicContact CZ3-CB 4.11Å; W67-W124 HydrophobicContact CZ3-CG 4.04Å; V103-W124 HydrophobicContact CG1-CH2 4.05Å; V103-W124 HydrophobicContact CG1-CZ3 4.38Å; P108-W124 HydrophobicContact CB-CD2 3.99Å; P108-W124 VanDerWaalsContact CB-CE2 3.47Å; P108-W124 HydrophobicContact CB-CG 4.32Å; P108-W124 HydrophobicContact CB-CZ2 3.9Å; P108-W124 VanDerWaalsContact CB-NE1 3.31Å; P108-W124 PolarHBondContact O-N 3.32Å; Y109-W124 WeakPolarHBondContact O-CZ3 3.29Å; F110-W124 HydrophobicContact CB-CZ3 4.37Å; F110-W124 AromaticContact CD1-CE3 3.71Å; F110-W124 HydrophobicContact CD1-CE3 3.71Å; F110-W124 AromaticContact CD1-CZ3 3.91Å; F110-W124 HydrophobicContact CD1-CZ3 3.91Å; F110-W124 HydrophobicContact CE1-CE3 4.28Å; W124-F128 HydrophobicContact CB-CD1 3.88Å; W124-F128 HydrophobicContact CB-CD2 4.32Å; W124-F128 HydrophobicContact CB-CE1 3.55Å; W124-F128 HydrophobicContact CB-CE2 4.02Å; W124-F128 HydrophobicContact CB-CG 4.25Å; W124-F128 HydrophobicContact CB-CZ 3.63Å |
| 125 | D | 96.9 | Very high | 97.9 | Very high | 107 Ų | 107 | 50 Ų | 50 | 57% | 0.572 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -20.6 | 174.7 | -77.7 | -13.4 | 0 | 0 | 0 | 110.6 | P108 D123 | P108-D125 HydrophobicContact CB-CB 4.01Å; P108-D125 WeakPolarHBondContact CB-OD2 3.18Å; P108-D125 HydrophobicContact CG-CB 4.04Å; P108-D125 WeakPolarHBondContact CG-OD2 3.32Å; D123-D125 PolarHBondContact OD1-N 2.8Å |
| 126 | N | 97 | Very high | 97.7 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 50.8 | 170.9 | -163.2 | 26 | 0 | 0 | 0 | 112.4 | D123 F128 Q129 | D123-N126 HydrophobicContact CB-CB 4.19Å; D123-N126 CarbonylContact O-C 3.52Å; D123-N126 PolarHBondContact O-N 3.05Å; D123-N126 PolarHBondContact OD1-N 3.08Å; D123-N126 VanDerWaalsContact OD1-N 3.15Å; N126-F128 VanDerWaalsContact C-N 3.3Å; N126-F128 PolarHBondContact O-N 3.32Å; N126-Q129 PolarHBondContact ND2-OE1 3.13Å; N126-Q129 WeakPolarHBondContact O-CB 3.27Å; N126-Q129 PolarHBondContact O-N 2.85Å; N126-Q129 VanDerWaalsContact O-N 3.1Å |
| 127 | N | 96.1 | Very high | 97.7 | Very high | 151 Ų | 151 | 51.1 Ų | 51.1 | 81% | 0.807 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.4 | 175.9 | -65.2 | -40 | 0 | 0 | 0 | 114.7 | Q129 | N127-Q129 PolarHBondContact O-N 3.33Š|
| 128 | F | 97.5 | Very high | 97.7 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 10% | 0.101 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 37.5 | -178.2 | -60.3 | -98 | 0 | 0 | 0 | 112.4 | W67 L69 A79 T89 F91 F110 W122 D123 W124 N126 | W67-F128 HydrophobicContact CE3-CZ 4.45Å; W67-F128 HydrophobicContact CH2-CZ 4Å; W67-F128 HydrophobicContact CZ3-CE1 4.32Å; W67-F128 AromaticContact CZ3-CZ 3.64Å; W67-F128 HydrophobicContact CZ3-CZ 3.64Å; L69-F128 HydrophobicContact CD1-CE1 4.33Å; A79-F128 HydrophobicContact CB-CZ 4.42Å; T89-F128 HydrophobicContact CG2-CD1 3.96Å; T89-F128 HydrophobicContact CG2-CD2 3.9Å; T89-F128 HydrophobicContact CG2-CE1 3.65Å; T89-F128 HydrophobicContact CG2-CE2 3.58Å; T89-F128 HydrophobicContact CG2-CG 4.09Å; T89-F128 HydrophobicContact CG2-CZ 3.44Å; T89-F128 VanDerWaalsContact CG2-CZ 3.44Å; F91-F128 HydrophobicContact CD1-CB 4.28Å; F91-F128 HydrophobicContact CE1-CB 3.69Å; F91-F128 AromaticContact CE1-CD1 3.75Å; F91-F128 HydrophobicContact CE1-CD1 3.75Å; F91-F128 AromaticContact CE1-CG 3.87Å; F91-F128 HydrophobicContact CE1-CG 3.87Å; F91-F128 HydrophobicContact CZ-CB 4.04Å; F91-F128 HydrophobicContact CZ-CD1 4.2Å; F91-F128 HydrophobicContact CZ-CG 4.48Å; F110-F128 AromaticContact CE1-CD1 3.85Å; F110-F128 HydrophobicContact CE1-CD1 3.85Å; F110-F128 HydrophobicContact CE1-CE1 4.11Å; F110-F128 HydrophobicContact CZ-CD1 4.2Å; W122-F128 VanDerWaalsContact CE3-O 3.22Å; D123-F128 CarbonylContact O-C 3.58Å; D123-F128 WeakPolarHBondContact O-CA 3.42Å; D123-F128 PolarHBondContact O-N 2.57Å; W124-F128 HydrophobicContact CB-CD1 3.88Å; W124-F128 HydrophobicContact CB-CD2 4.32Å; W124-F128 HydrophobicContact CB-CE1 3.55Å; W124-F128 HydrophobicContact CB-CE2 4.02Å; W124-F128 HydrophobicContact CB-CG 4.25Å; W124-F128 HydrophobicContact CB-CZ 3.63Å; N126-F128 VanDerWaalsContact C-N 3.3Å; N126-F128 PolarHBondContact O-N 3.32Å |
| 129 | Q | 97.8 | Very high | 97.7 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 135.1 | 175.3 | -171.5 | 179.6 | 21.4 | 0 | 0 | 110.6 | W122 D123 N126 N127 K131 | W122-Q129 WeakPolarHBondContact CA-O 3.48Å; D123-Q129 PolarHBondContact N-O 2.7Å; D123-Q129 PolarHBondContact O-N 2.92Å; N126-Q129 PolarHBondContact ND2-OE1 3.13Å; N126-Q129 WeakPolarHBondContact O-CB 3.27Å; N126-Q129 PolarHBondContact O-N 2.85Å; N126-Q129 VanDerWaalsContact O-N 3.1Å; N127-Q129 PolarHBondContact O-N 3.33Å; Q129-K131 PolarHBondContact O-N 2.75Å; Q129-K131 VanDerWaalsContact O-N 3.13Å |
| 130 | C | 97.9 | Very high | 97.7 | Very high | 45 Ų | 45 | 57 Ų | 57 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 104.8 | 167.6 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | L121 W122 | L121-C130 CarbonylContact O-C 3.46Å; L121-C130 WeakPolarHBondContact O-CA 3.41Å; W122-C130 HydrophobicContact CD2-CB 4.39Å; W122-C130 HydrophobicContact CE3-CB 3.81Å; W122-C130 HydrophobicContact CH2-CB 3.91Å; W122-C130 HydrophobicContact CZ2-CB 4.45Å; W122-C130 HydrophobicContact CZ3-CB 3.57Å |
| 131 | K | 97 | Very high | 97.7 | Very high | 99 Ų | 99 | 55.2 Ų | 55.2 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -33 | -179.7 | -89.9 | -167.7 | 158.9 | 161 | 0 | 113.2 | Y109 L121 D123 Q129 | Y109-K131 HydrophobicContact CE1-CD 3.89Å; Y109-K131 PolarHBondContact OH-NZ 3.3Å; L121-K131 HydrophobicContact CD2-CB 4.16Å; L121-K131 HydrophobicContact CG-CB 4.49Å; L121-K131 PolarHBondContact O-N 2.69Å; D123-K131 HydrophobicContact CB-CD 3.95Å; D123-K131 HydrophobicContact CB-CG 4.15Å; D123-K131 VanDerWaalsContact OD2-CE 3.23Å; D123-K131 WeakPolarHBondContact OD2-CE 3.44Å; D123-K131 IonicContact OD2-NZ 3.67Å; D123-K131 PolarHBondContact OD2-NZ 3.19Å; Q129-K131 PolarHBondContact O-N 2.75Å; Q129-K131 VanDerWaalsContact O-N 3.13Å |
| 132 | Q | 97.3 | Very high | 97.7 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 16% | 0.159 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 142.9 | -174.3 | -169.6 | 171.4 | -4 | 0 | 0 | 110.8 | K120 L121 F134 S170 | K120-Q132 WeakPolarHBondContact CA-O 3.49Å; L121-Q132 HydrophobicContact CB-CB 4.09Å; L121-Q132 HydrophobicContact CD2-CB 4.34Å; L121-Q132 PolarHBondContact N-O 3.1Å; Q132-F134 HydrophobicContact CB-CE2 4.31Å; Q132-F134 HydrophobicContact CB-CZ 4.32Å; Q132-F134 VanDerWaalsContact CD-CE1 3.46Å; Q132-F134 VanDerWaalsContact CD-CZ 3.41Å; Q132-F134 HydrophobicContact CG-CE1 4.16Å; Q132-F134 HydrophobicContact CG-CE2 4.14Å; Q132-F134 HydrophobicContact CG-CZ 3.91Å; Q132-S170 VanDerWaalsContact NE2-C 3.25Å; Q132-S170 PolarHBondContact NE2-O 3.31Å |
| 133 | V | 98.1 | Very high | 97.7 | Very high | 57 Ų | 57 | 58.4 Ų | 58.4 | 35% | 0.345 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.3 | 169.1 | -172.2 | 0 | 0 | 0 | 0 | 107.3 | T118 I119 K120 E135 | T118-V133 HydrophobicContact CG2-CG1 4.13Å; I119-V133 CarbonylContact O-C 3.48Å; I119-V133 WeakPolarHBondContact O-CA 3.31Å; K120-V133 HydrophobicContact CG-CG1 4.26Å; K120-V133 HydrophobicContact CG-CG2 4.22Å; V133-E135 HydrophobicContact CG1-CG 4.06Å |
| 134 | F | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.1 | 175.1 | -53.9 | -92.8 | 0 | 0 | 0 | 108.4 | L111 I119 L121 Q132 F154 W166 L168 S170 | L111-F134 HydrophobicContact CD2-CE2 3.85Å; I119-F134 HydrophobicContact CB-CB 4.15Å; I119-F134 HydrophobicContact CB-CD2 4.15Å; I119-F134 HydrophobicContact CG2-CD2 4.15Å; I119-F134 PolarHBondContact N-O 3.18Å; I119-F134 WeakPolarHBondContact O-CD2 3.19Å; I119-F134 PolarHBondContact O-N 2.72Å; L121-F134 HydrophobicContact CB-CE2 4.09Å; Q132-F134 HydrophobicContact CB-CE2 4.31Å; Q132-F134 HydrophobicContact CB-CZ 4.32Å; Q132-F134 VanDerWaalsContact CD-CE1 3.46Å; Q132-F134 VanDerWaalsContact CD-CZ 3.41Å; Q132-F134 HydrophobicContact CG-CE1 4.16Å; Q132-F134 HydrophobicContact CG-CE2 4.14Å; Q132-F134 HydrophobicContact CG-CZ 3.91Å; F134-F154 HydrophobicContact CD1-CE1 4.31Å; F134-F154 AromaticContact CD1-CZ 3.89Å; F134-F154 HydrophobicContact CD1-CZ 3.89Å; F134-F154 HydrophobicContact CD2-CE1 4.39Å; F134-F154 AromaticContact CD2-CZ 3.72Å; F134-F154 HydrophobicContact CD2-CZ 3.72Å; F134-F154 AromaticContact CE1-CE1 3.77Å; F134-F154 HydrophobicContact CE1-CE1 3.77Å; F134-F154 AromaticContact CE1-CZ 3.81Å; F134-F154 HydrophobicContact CE1-CZ 3.81Å; F134-F154 AromaticContact CE2-CE1 3.87Å; F134-F154 HydrophobicContact CE2-CE1 3.87Å; F134-F154 AromaticContact CE2-CZ 3.66Å; F134-F154 HydrophobicContact CE2-CZ 3.66Å; F134-F154 AromaticContact CG-CZ 3.85Å; F134-F154 HydrophobicContact CG-CZ 3.85Å; F134-F154 AromaticContact CZ-CE1 3.55Å; F134-F154 HydrophobicContact CZ-CE1 3.55Å; F134-F154 AromaticContact CZ-CZ 3.72Å; F134-F154 HydrophobicContact CZ-CZ 3.72Å; F134-W166 HydrophobicContact CB-CD2 4.29Å; F134-W166 HydrophobicContact CB-CE3 3.86Å; F134-W166 HydrophobicContact CB-CH2 4.16Å; F134-W166 HydrophobicContact CB-CZ3 3.79Å; F134-W166 HydrophobicContact CD1-CB 4.46Å; F134-W166 HydrophobicContact CD1-CD2 4.26Å; F134-W166 AromaticContact CD1-CE3 3.73Å; F134-W166 HydrophobicContact CD1-CE3 3.73Å; F134-W166 HydrophobicContact CD1-CZ3 4.35Å; F134-W166 HydrophobicContact CG-CE3 4.2Å; F134-L168 HydrophobicContact CZ-CD2 4.09Å; F134-S170 WeakPolarHBondContact CE1-O 3.32Å |
| 135 | E | 97.4 | Very high | 97.8 | Very high | 132 Ų | 132 | 58.6 Ų | 58.6 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | trans | -112.4 | 142.7 | 179.9 | -62.3 | -179.7 | 163.1 | 0 | 0 | 109.1 | T118 V133 W166 | T118-E135 HydrophobicContact CG2-CG 4.34Å; V133-E135 HydrophobicContact CG1-CG 4.06Å; E135-W166 WeakPolarHBondContact O-CH2 3.37Å | ||
| 136 | G | 96.2 | Very high | 97.8 | Very high | 42 Ų | 42 | 54.3 Ų | 54.3 | 43% | 0.433 | 29% | 0.29 | S | S | . | . | trans | 149.8 | -12.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K164 | G136-K164 WeakPolarHBondContact O-CE 3.49Š| ||
| 137 | H | 98.3 | Very high | 97.8 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.065 | 27% | 0.274 | C | S | . | . | trans | -76.4 | 148.7 | 163.6 | -82.4 | -60.1 | 0 | 0 | 0 | 110.6 | V141 S156 S158 D160 T162 K164 | H137-V141 HydrophobicContact CB-CG2 3.9Å; H137-S156 PolarHBondContact NE2-OG 3.03Å; H137-S158 WeakPolarHBondContact CE1-CB 3.3Å; H137-S158 WeakPolarHBondContact ND1-CB 3.32Å; H137-D160 VanDerWaalsContact CA-OD2 3.29Å; H137-D160 WeakPolarHBondContact CA-OD2 3.31Å; H137-D160 IonicContact CE1-OD1 2.8Å; H137-D160 IonicContact CE1-OD2 3.22Å; H137-D160 IonicContact CG-OD2 3.28Å; H137-D160 IonicContact ND1-OD1 3.36Å; H137-D160 PolarHBondContact ND1-OD1 3.25Å; H137-D160 IonicContact ND1-OD2 3.67Å; H137-D160 PolarHBondContact ND1-OD2 2.83Å; H137-T162 PolarHBondContact CE1-OG1 3.13Å; H137-T162 VanDerWaalsContact CE1-OG1 3.3Å; H137-T162 PolarHBondContact ND1-OG1 3.33Å; H137-K164 WeakPolarHBondContact ND1-CE 3.49Å | ||
| 138 | A | 98.1 | Very high | 97.6 | Very high | 73 Ų | 73 | 46.5 Ų | 46.5 | 60% | 0.603 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -107.3 | 7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | D160 | A138-D160 HydrophobicContact CB-CB 4.19Å; A138-D160 PolarHBondContact N-OD2 2.73Å |
| 139 | H | 98.5 | Very high | 97.3 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 32% | 0.324 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -155.1 | 176.2 | 176.8 | -150.6 | -69.8 | 0 | 0 | 0 | 109.5 | V141 S158 L159 D160 | H139-V141 PolarHBondContact O-N 3.01Å; H139-S158 PolarHBondContact O-OG 3.2Å; H139-S158 VanDerWaalsContact O-OG 3.04Å; H139-L159 HydrophobicContact CB-CB 4.09Å; H139-L159 WeakPolarHBondContact ND1-CB 3.26Å; H139-D160 HydrophobicContact CB-CB 3.94Å |
| 140 | Y | 98.6 | Very high | 97 | Very high | 81 Ų | 81 | 47.4 Ų | 47.4 | 32% | 0.318 | 26% | 0.257 | S | S | . | . | trans | -39.7 | 130.9 | 175.3 | -53.9 | -14.1 | 0 | 0 | 0 | 113.2 | D115 S158 L159 | D115-Y140 HydrophobicContact CB-CD1 3.53Å; D115-Y140 HydrophobicContact CB-CD2 4.43Å; D115-Y140 HydrophobicContact CB-CE1 3.76Å; D115-Y140 HydrophobicContact CB-CG 3.9Å; D115-Y140 VanDerWaalsContact O-CD1 3.22Å; D115-Y140 WeakPolarHBondContact O-CD1 3.32Å; D115-Y140 WeakPolarHBondContact OD1-CB 3.49Å; Y140-S158 VanDerWaalsContact O-CA 3.25Å; Y140-S158 WeakPolarHBondContact O-CA 3.17Å; Y140-S158 WeakPolarHBondContact O-CB 3.07Å; Y140-S158 PolarHBondContact O-OG 3.34Å; Y140-L159 HydrophobicContact CD2-CD1 3.65Å; Y140-L159 HydrophobicContact CG-CD1 4.23Å; Y140-L159 PolarHBondContact O-N 2.89Å; Y140-L159 VanDerWaalsContact O-N 3.08Å | ||
| 141 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 99.4 | 177.5 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | R99 S113 S114 I119 H137 H139 V144 A157 | R99-V141 WeakPolarHBondContact CB-O 3.47Å; S113-V141 WeakPolarHBondContact CB-O 3.31Å; S113-V141 PolarHBondContact OG-O 3.44Å; S114-V141 PolarHBondContact O-N 2.88Å; I119-V141 HydrophobicContact CD1-CG1 3.97Å; I119-V141 HydrophobicContact CG1-CB 4.41Å; I119-V141 HydrophobicContact CG1-CG1 3.81Å; I119-V141 HydrophobicContact CG1-CG2 4.36Å; H137-V141 HydrophobicContact CB-CG2 3.9Å; H139-V141 PolarHBondContact O-N 3.01Å; V141-V144 HydrophobicContact CG1-CG1 4.34Å; V141-A157 CarbonylContact C-O 3.57Å |
| 142 | M | 98.7 | Very high | 96.8 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 18% | 0.177 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -36.9 | -167.7 | -62.9 | -61.1 | -71.2 | 0 | 0 | 113.1 | A157 L159 N185 | M142-A157 PolarHBondContact N-O 2.79Å; M142-L159 HydrophobicContact CG-CD1 4.47Å; M142-L159 HydrophobicContact CG-CD2 3.71Å; M142-L159 HydrophobicContact CG-CG 3.7Å; M142-L159 HydrophobicContact SD-CD1 3.98Å; M142-L159 HydrophobicContact SD-CD2 4.13Å; M142-L159 HydrophobicContact SD-CG 3.86Å; M142-N185 WeakPolarHBondContact CB-O 3.47Å |
| 143 | Q | 98.6 | Very high | 96.7 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 146.4 | -179.3 | -168.3 | 172.4 | 9 | 0 | 0 | 111.9 | S156 A157 V187 | Q143-S156 CarbonylContact O-C 3.59Å; Q143-S156 VanDerWaalsContact O-CA 3.25Å; Q143-S156 WeakPolarHBondContact O-CA 3.35Å; Q143-A157 HydrophobicContact CB-CB 4.49Å; Q143-A157 PolarHBondContact N-O 2.89Å; Q143-A157 PolarHBondContact O-N 3.2Å; Q143-V187 HydrophobicContact CB-CG1 4.33Å; Q143-V187 HydrophobicContact CG-CG1 4.45Å; Q143-V187 PolarHBondContact OE1-O 2.91Å |
| 144 | V | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.8 | 167.5 | -73 | 0 | 0 | 0 | 0 | 110.5 | S100 A102 L111 I119 V141 A155 | S100-V144 PolarHBondContact OG-N 2.85Å; A102-V144 HydrophobicContact CB-CG2 4.04Å; L111-V144 HydrophobicContact CB-CG2 4.11Å; I119-V144 HydrophobicContact CD1-CG1 3.78Å; I119-V144 HydrophobicContact CG1-CG1 3.94Å; I119-V144 HydrophobicContact CG2-CG1 3.9Å; V141-V144 HydrophobicContact CG1-CG1 4.34Å; V144-A155 WeakPolarHBondContact CA-O 3.12Å |
| 145 | V | 98 | Very high | 96.8 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 15% | 0.145 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 130.3 | 179.4 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | F154 A155 V187 Y189 | V145-F154 CarbonylContact O-C 3.6Å; V145-F154 WeakPolarHBondContact O-CA 3.21Å; V145-F154 VanDerWaalsContact O-CB 3.24Å; V145-F154 WeakPolarHBondContact O-CB 3.4Å; V145-A155 HydrophobicContact CG1-CB 4.07Å; V145-A155 PolarHBondContact N-O 3.42Å; V145-A155 PolarHBondContact O-N 2.78Å; V145-V187 HydrophobicContact CG1-CG1 3.92Å; V145-V187 HydrophobicContact CG1-CG2 4.34Å; V145-Y189 HydrophobicContact CG1-CD2 3.79Å; V145-Y189 HydrophobicContact CG1-CE2 4.02Å; V145-Y189 HydrophobicContact CG2-CD2 4.44Å |
| 146 | F | 97.6 | Very high | 96.8 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 144 | 172.6 | -81.8 | -72.3 | 0 | 0 | 0 | 110.7 | A102 H104 L111 P148 F154 L168 | A102-F146 HydrophobicContact CB-CD2 3.83Å; A102-F146 HydrophobicContact CB-CE2 4.11Å; A102-F146 WeakPolarHBondContact O-CE2 3.38Å; H104-F146 HydrophobicContact CB-CD2 4.44Å; H104-F146 HydrophobicContact CB-CE2 3.81Å; H104-F146 HydrophobicContact CB-CZ 3.87Å; H104-F146 AromaticContact CD2-CE1 3.67Å; H104-F146 AromaticContact CD2-CZ 3.81Å; L111-F146 HydrophobicContact CD1-CD1 4.38Å; L111-F146 HydrophobicContact CD1-CD2 4.38Å; L111-F146 HydrophobicContact CD1-CE1 3.77Å; L111-F146 HydrophobicContact CD1-CE2 3.77Å; L111-F146 HydrophobicContact CD1-CZ 3.43Å; L111-F146 VanDerWaalsContact CD1-CZ 3.43Å; L111-F146 HydrophobicContact CG-CE1 4.38Å; L111-F146 HydrophobicContact CG-CE2 3.98Å; L111-F146 HydrophobicContact CG-CZ 3.63Å; F146-P148 WeakPolarHBondContact O-CD 3.27Å; F146-F154 HydrophobicContact CD1-CB 3.95Å; F146-F154 HydrophobicContact CE1-CB 4.34Å; F146-F154 HydrophobicContact CG-CB 4.46Å; F146-L168 HydrophobicContact CE1-CD1 4.31Å; F146-L168 HydrophobicContact CE1-CD2 4.31Å |
| 147 | N | 96 | Very high | 97 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | trans | -72.4 | 117.9 | 172 | 178.5 | -6.1 | 0 | 0 | 0 | 109.5 | K149 D150 N151 T153 Y189 | N147-K149 PolarHBondContact O-N 3.17Å; N147-K149 WeakPolarHBondContact OD1-CB 3.22Å; N147-K149 PolarHBondContact OD1-N 2.83Å; N147-D150 WeakPolarHBondContact CB-O 3.45Å; N147-D150 CarbonylContact O-C 3.6Å; N147-D150 PolarHBondContact O-N 2.84Å; N147-N151 PolarHBondContact O-N 2.86Å; N147-N151 PolarHBondContact O-OD1 2.78Å; N147-T153 WeakPolarHBondContact CB-O 3.45Å; N147-T153 WeakPolarHBondContact CB-OG1 3.37Å; N147-T153 PolarHBondContact N-O 2.78Å; N147-T153 PolarHBondContact ND2-OG1 2.82Å; N147-T153 VanDerWaalsContact ND2-OG1 3.07Å; N147-Y189 HydrophobicContact CB-CD1 4.27Å; N147-Y189 HydrophobicContact CB-CD2 4.09Å; N147-Y189 HydrophobicContact CB-CE1 3.94Å; N147-Y189 HydrophobicContact CB-CE2 3.73Å; N147-Y189 HydrophobicContact CB-CG 4.34Å | ||
| 148 | P | 92.3 | Very high | 97 | Very high | 51 Ų | 51 | 33 Ų | 33 | 33% | 0.331 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.3 | -176.9 | 29.6 | -36.8 | 0 | 0 | 0 | 113.5 | F146 Y189 H191 | F146-P148 WeakPolarHBondContact O-CD 3.27Å; P148-Y189 VanDerWaalsContact CD-CB 3.4Å; P148-H191 WeakPolarHBondContact CG-ND1 3.38Å |
| 149 | K | 90.6 | Very high | 97 | Very high | 78 Ų | 78 | 31.3 Ų | 31.3 | 34% | 0.339 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -27.7 | 179.2 | -54.6 | 178.9 | -175.1 | -166.9 | 0 | 112.7 | N147 Y190 G192 K195 | N147-K149 PolarHBondContact O-N 3.17Å; N147-K149 WeakPolarHBondContact OD1-CB 3.22Å; N147-K149 PolarHBondContact OD1-N 2.83Å; K149-Y190 WeakPolarHBondContact CE-O 3.22Å; K149-G192 WeakPolarHBondContact CE-O 3.23Å; K149-G192 PolarHBondContact NZ-O 2.98Å; K149-K195 PolarHBondContact NZ-O 2.92Å |
| 150 | D | 92.8 | Very high | 97 | Very high | 74 Ų | 74 | 29.3 Ų | 29.3 | 40% | 0.396 | 15% | 0.148 | S | C | . | . | trans | -142.8 | 93.9 | 177.9 | 175.8 | 12.7 | 0 | 0 | 0 | 109.1 | N147 N152 T153 | N147-D150 WeakPolarHBondContact CB-O 3.45Å; N147-D150 CarbonylContact O-C 3.6Å; N147-D150 PolarHBondContact O-N 2.84Å; D150-N152 PolarHBondContact O-N 2.79Å; D150-N152 VanDerWaalsContact OD1-CB 3.29Å; D150-N152 WeakPolarHBondContact OD1-CB 3.41Å; D150-N152 PolarHBondContact OD1-N 2.75Å; D150-T153 PolarHBondContact O-N 2.8Å; D150-T153 PolarHBondContact O-OG1 2.82Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.32Å | ||
| 151 | N | 92.6 | Very high | 97 | Very high | 48 Ų | 48 | 32.1 Ų | 32.1 | 26% | 0.257 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -9.7 | -175.9 | -58.1 | -25.3 | 0 | 0 | 0 | 113.4 | H104 P105 N147 T153 | H104-N151 PolarHBondContact CD2-O 3.3Å; H104-N151 PolarHBondContact NE2-O 2.76Å; H104-N151 VanDerWaalsContact NE2-O 3.16Å; P105-N151 HydrophobicContact CG-CB 4.04Å; P105-N151 WeakPolarHBondContact CG-ND2 3.16Å; P105-N151 WeakPolarHBondContact CG-OD1 3.29Å; N147-N151 PolarHBondContact O-N 2.86Å; N147-N151 PolarHBondContact O-OD1 2.78Å; N151-T153 VanDerWaalsContact C-N 3.28Å |
| 152 | N | 96.3 | Very high | 97 | Very high | 60 Ų | 60 | 32.7 Ų | 32.7 | 32% | 0.321 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -7.7 | 174.3 | -162.4 | 54.1 | 0 | 0 | 0 | 113.3 | D150 Q167 L168 | D150-N152 PolarHBondContact O-N 2.79Å; D150-N152 VanDerWaalsContact OD1-CB 3.29Å; D150-N152 WeakPolarHBondContact OD1-CB 3.41Å; D150-N152 PolarHBondContact OD1-N 2.75Å; N152-Q167 VanDerWaalsContact ND2-CG 3.25Å; N152-Q167 WeakPolarHBondContact ND2-CG 3.44Å; N152-Q167 PolarHBondContact ND2-NE2 3.39Å; N152-Q167 WeakPolarHBondContact O-CA 3.34Å; N152-L168 PolarHBondContact O-N 3.21Å |
| 153 | T | 97.2 | Very high | 97 | Very high | 12 Ų | 12 | 31 Ų | 31 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 153.4 | 178.8 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | N147 D150 N151 W166 Q167 | N147-T153 WeakPolarHBondContact CB-O 3.45Å; N147-T153 WeakPolarHBondContact CB-OG1 3.37Å; N147-T153 PolarHBondContact N-O 2.78Å; N147-T153 PolarHBondContact ND2-OG1 2.82Å; N147-T153 VanDerWaalsContact ND2-OG1 3.07Å; D150-T153 PolarHBondContact O-N 2.8Å; D150-T153 PolarHBondContact O-OG1 2.82Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.32Å; N151-T153 VanDerWaalsContact C-N 3.28Å; T153-W166 VanDerWaalsContact CA-O 3.22Å; T153-W166 WeakPolarHBondContact CA-O 3.25Å; T153-W166 WeakPolarHBondContact CB-O 3.23Å; T153-Q167 HydrophobicContact CG2-CB 4.32Å; T153-Q167 HydrophobicContact CG2-CG 4.31Å |
| 154 | F | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 157.8 | 176.3 | 68.1 | -89.3 | 0 | 0 | 0 | 110.6 | L111 I119 F134 V145 F146 V165 W166 L168 | L111-F154 HydrophobicContact CD1-CB 3.86Å; L111-F154 HydrophobicContact CD1-CD1 3.68Å; L111-F154 HydrophobicContact CD1-CD2 3.61Å; L111-F154 HydrophobicContact CD1-CE1 4.04Å; L111-F154 HydrophobicContact CD1-CE2 3.99Å; L111-F154 HydrophobicContact CD1-CG 3.44Å; L111-F154 VanDerWaalsContact CD1-CG 3.44Å; L111-F154 HydrophobicContact CD1-CZ 4.18Å; L111-F154 HydrophobicContact CD2-CE1 4.21Å; L111-F154 HydrophobicContact CD2-CZ 4.18Å; I119-F154 HydrophobicContact CD1-CE2 3.92Å; I119-F154 HydrophobicContact CG2-CE2 4.08Å; I119-F154 HydrophobicContact CG2-CZ 4.38Å; F134-F154 HydrophobicContact CD1-CE1 4.31Å; F134-F154 AromaticContact CD1-CZ 3.89Å; F134-F154 HydrophobicContact CD1-CZ 3.89Å; F134-F154 HydrophobicContact CD2-CE1 4.39Å; F134-F154 AromaticContact CD2-CZ 3.72Å; F134-F154 HydrophobicContact CD2-CZ 3.72Å; F134-F154 AromaticContact CE1-CE1 3.77Å; F134-F154 HydrophobicContact CE1-CE1 3.77Å; F134-F154 AromaticContact CE1-CZ 3.81Å; F134-F154 HydrophobicContact CE1-CZ 3.81Å; F134-F154 AromaticContact CE2-CE1 3.87Å; F134-F154 HydrophobicContact CE2-CE1 3.87Å; F134-F154 AromaticContact CE2-CZ 3.66Å; F134-F154 HydrophobicContact CE2-CZ 3.66Å; F134-F154 AromaticContact CG-CZ 3.85Å; F134-F154 HydrophobicContact CG-CZ 3.85Å; F134-F154 AromaticContact CZ-CE1 3.55Å; F134-F154 HydrophobicContact CZ-CE1 3.55Å; F134-F154 AromaticContact CZ-CZ 3.72Å; F134-F154 HydrophobicContact CZ-CZ 3.72Å; V145-F154 CarbonylContact O-C 3.6Å; V145-F154 WeakPolarHBondContact O-CA 3.21Å; V145-F154 VanDerWaalsContact O-CB 3.24Å; V145-F154 WeakPolarHBondContact O-CB 3.4Å; F146-F154 HydrophobicContact CD1-CB 3.95Å; F146-F154 HydrophobicContact CE1-CB 4.34Å; F146-F154 HydrophobicContact CG-CB 4.46Å; F154-V165 CarbonylContact O-C 3.4Å; F154-V165 WeakPolarHBondContact O-CA 3.34Å; F154-W166 HydrophobicContact CD1-CB 3.9Å; F154-W166 HydrophobicContact CD2-CB 4.13Å; F154-W166 AromaticContact CD2-CD1 3.74Å; F154-W166 HydrophobicContact CD2-CG 4.21Å; F154-W166 HydrophobicContact CE1-CB 3.41Å; F154-W166 VanDerWaalsContact CE1-CB 3.41Å; F154-W166 HydrophobicContact CE1-CG 4.16Å; F154-W166 HydrophobicContact CE2-CB 3.66Å; F154-W166 AromaticContact CE2-CD1 3.27Å; F154-W166 HydrophobicContact CE2-CD2 4.4Å; F154-W166 AromaticContact CE2-CG 3.52Å; F154-W166 HydrophobicContact CE2-CG 3.52Å; F154-W166 HydrophobicContact CG-CB 4.24Å; F154-W166 HydrophobicContact CZ-CB 3.28Å; F154-W166 AromaticContact CZ-CD1 3.79Å; F154-W166 HydrophobicContact CZ-CD2 4.28Å; F154-W166 AromaticContact CZ-CG 3.51Å; F154-W166 HydrophobicContact CZ-CG 3.51Å; F154-W166 PolarHBondContact N-O 3.02Å; F154-W166 VanDerWaalsContact N-O 3.09Å; F154-W166 PolarHBondContact O-N 3.31Å; F154-L168 HydrophobicContact CD1-CD2 4.06Å; F154-L168 HydrophobicContact CE1-CD2 3.93Å |
| 155 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 152.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V144 V145 K164 V165 V187 Y189 L198 | V144-A155 WeakPolarHBondContact CA-O 3.12Å; V145-A155 HydrophobicContact CG1-CB 4.07Å; V145-A155 PolarHBondContact N-O 3.42Å; V145-A155 PolarHBondContact O-N 2.78Å; A155-K164 CarbonylContact C-O 3.6Å; A155-K164 VanDerWaalsContact CA-O 3.3Å; A155-K164 WeakPolarHBondContact CA-O 3.3Å; A155-V165 HydrophobicContact CB-CG2 4.23Å; A155-V187 HydrophobicContact CB-CG2 3.94Å; A155-Y189 HydrophobicContact CB-CE2 3.58Å; A155-L198 HydrophobicContact CB-CD1 4.32Å; A155-L198 HydrophobicContact CB-CD2 3.94Å |
| 156 | S | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142.6 | 171.7 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | I119 H137 Q143 L163 K164 W166 | I119-S156 VanDerWaalsContact CD1-CB 3.42Å; H137-S156 PolarHBondContact NE2-OG 3.03Å; Q143-S156 CarbonylContact O-C 3.59Å; Q143-S156 VanDerWaalsContact O-CA 3.25Å; Q143-S156 WeakPolarHBondContact O-CA 3.35Å; S156-L163 CarbonylContact O-C 3.43Å; S156-L163 VanDerWaalsContact O-CA 3.23Å; S156-L163 WeakPolarHBondContact O-CA 3.45Å; S156-K164 PolarHBondContact N-O 3.13Å; S156-K164 PolarHBondContact O-N 2.8Å; S156-K164 PolarHBondContact OG-O 3.05Å; S156-W166 PolarHBondContact OG-NE1 3.45Å |
| 157 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V141 M142 Q143 L163 V184 V187 | V141-A157 CarbonylContact C-O 3.57Å; M142-A157 PolarHBondContact N-O 2.79Å; Q143-A157 HydrophobicContact CB-CB 4.49Å; Q143-A157 PolarHBondContact N-O 2.89Å; Q143-A157 PolarHBondContact O-N 3.2Å; A157-L163 HydrophobicContact CB-CD2 3.76Å; A157-V184 HydrophobicContact CB-CB 4.14Å; A157-V184 HydrophobicContact CB-CG1 3.78Å; A157-V187 HydrophobicContact CB-CB 3.98Å; A157-V187 HydrophobicContact CB-CG1 3.77Å |
| 158 | S | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.4 | 179.3 | 176.3 | 0 | 0 | 0 | 0 | 112.6 | H137 H139 Y140 D160 R161 T162 V184 | H137-S158 WeakPolarHBondContact CE1-CB 3.3Å; H137-S158 WeakPolarHBondContact ND1-CB 3.32Å; H139-S158 PolarHBondContact O-OG 3.2Å; H139-S158 VanDerWaalsContact O-OG 3.04Å; Y140-S158 VanDerWaalsContact O-CA 3.25Å; Y140-S158 WeakPolarHBondContact O-CA 3.17Å; Y140-S158 WeakPolarHBondContact O-CB 3.07Å; Y140-S158 PolarHBondContact O-OG 3.34Å; S158-D160 VanDerWaalsContact CB-OD1 3.31Å; S158-D160 WeakPolarHBondContact CB-OD1 3.22Å; S158-D160 PolarHBondContact O-N 2.96Å; S158-D160 VanDerWaalsContact O-N 3.16Å; S158-D160 VanDerWaalsContact OG-CG 3.28Å; S158-D160 PolarHBondContact OG-N 3.41Å; S158-D160 VanDerWaalsContact OG-N 3.16Å; S158-D160 PolarHBondContact OG-OD1 3.36Å; S158-R161 PolarHBondContact O-N 2.92Å; S158-T162 PolarHBondContact N-O 3.41Å; S158-V184 CarbonylContact C-O 3.53Å; S158-V184 PolarHBondContact O-N 2.81Å |
| 159 | L | 98.7 | Very high | 97.1 | Very high | 38 Ų | 38 | 32.7 Ų | 32.7 | 20% | 0.199 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -5.8 | 171.3 | -60.7 | -173.3 | 0 | 0 | 0 | 113.4 | H139 Y140 M142 R161 | H139-L159 HydrophobicContact CB-CB 4.09Å; H139-L159 WeakPolarHBondContact ND1-CB 3.26Å; Y140-L159 HydrophobicContact CD2-CD1 3.65Å; Y140-L159 HydrophobicContact CG-CD1 4.23Å; Y140-L159 PolarHBondContact O-N 2.89Å; Y140-L159 VanDerWaalsContact O-N 3.08Å; M142-L159 HydrophobicContact CG-CD1 4.47Å; M142-L159 HydrophobicContact CG-CD2 3.71Å; M142-L159 HydrophobicContact CG-CG 3.7Å; M142-L159 HydrophobicContact SD-CD1 3.98Å; M142-L159 HydrophobicContact SD-CD2 4.13Å; M142-L159 HydrophobicContact SD-CG 3.86Å; L159-R161 PolarHBondContact O-N 2.83Å; L159-R161 VanDerWaalsContact O-N 3.15Å |
| 160 | D | 98.4 | Very high | 97.3 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 15% | 0.15 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 4.6 | 168.7 | 71.5 | 10.9 | 0 | 0 | 0 | 114 | H137 A138 H139 S158 T162 | H137-D160 VanDerWaalsContact CA-OD2 3.29Å; H137-D160 WeakPolarHBondContact CA-OD2 3.31Å; H137-D160 IonicContact CE1-OD1 2.8Å; H137-D160 IonicContact CE1-OD2 3.22Å; H137-D160 IonicContact CG-OD2 3.28Å; H137-D160 IonicContact ND1-OD1 3.36Å; H137-D160 PolarHBondContact ND1-OD1 3.25Å; H137-D160 IonicContact ND1-OD2 3.67Å; H137-D160 PolarHBondContact ND1-OD2 2.83Å; A138-D160 HydrophobicContact CB-CB 4.19Å; A138-D160 PolarHBondContact N-OD2 2.73Å; H139-D160 HydrophobicContact CB-CB 3.94Å; S158-D160 VanDerWaalsContact CB-OD1 3.31Å; S158-D160 WeakPolarHBondContact CB-OD1 3.22Å; S158-D160 PolarHBondContact O-N 2.96Å; S158-D160 VanDerWaalsContact O-N 3.16Å; S158-D160 VanDerWaalsContact OG-CG 3.28Å; S158-D160 PolarHBondContact OG-N 3.41Å; S158-D160 VanDerWaalsContact OG-N 3.16Å; S158-D160 PolarHBondContact OG-OD1 3.36Å; D160-T162 VanDerWaalsContact C-N 3.32Å; D160-T162 VanDerWaalsContact OD1-CB 3.3Å; D160-T162 WeakPolarHBondContact OD1-CB 3.22Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.33Å; D160-T162 PolarHBondContact OD1-N 3.01Å; D160-T162 PolarHBondContact OD1-OG1 2.85Å; D160-T162 PolarHBondContact OD2-OG1 2.91Å |
| 161 | R | 98.7 | Very high | 97.3 | Very high | 140 Ų | 140 | 31 Ų | 31 | 53% | 0.528 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 78.1 | 11.8 | 178.7 | -47.4 | 174.7 | -76.1 | -173.2 | -2.6 | 114.1 | S158 L159 E181 K182 | S158-R161 PolarHBondContact O-N 2.92Å; L159-R161 PolarHBondContact O-N 2.83Å; L159-R161 VanDerWaalsContact O-N 3.15Å; R161-E181 VanDerWaalsContact CD-O 3.22Å; R161-E181 WeakPolarHBondContact CD-O 3.19Å; R161-K182 WeakPolarHBondContact CG-O 3.48Å |
| 162 | T | 98.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151.2 | -175.7 | 77.2 | 0 | 0 | 0 | 0 | 112.9 | H137 S158 D160 T176 L177 E178 | H137-T162 PolarHBondContact CE1-OG1 3.13Å; H137-T162 VanDerWaalsContact CE1-OG1 3.3Å; H137-T162 PolarHBondContact ND1-OG1 3.33Å; S158-T162 PolarHBondContact N-O 3.41Å; D160-T162 VanDerWaalsContact C-N 3.32Å; D160-T162 VanDerWaalsContact OD1-CB 3.3Å; D160-T162 WeakPolarHBondContact OD1-CB 3.22Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.33Å; D160-T162 PolarHBondContact OD1-N 3.01Å; D160-T162 PolarHBondContact OD1-OG1 2.85Å; D160-T162 PolarHBondContact OD2-OG1 2.91Å; T162-T176 HydrophobicContact CG2-CG2 3.84Å; T162-L177 WeakPolarHBondContact CA-O 3.45Å; T162-E178 HydrophobicContact CG2-CG 4.02Å |
| 163 | L | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.8 | 155.7 | -58.8 | 172.4 | 0 | 0 | 0 | 108.4 | S156 A157 T176 L177 V184 V187 W210 | S156-L163 CarbonylContact O-C 3.43Å; S156-L163 VanDerWaalsContact O-CA 3.23Å; S156-L163 WeakPolarHBondContact O-CA 3.45Å; A157-L163 HydrophobicContact CB-CD2 3.76Å; L163-T176 CarbonylContact O-C 3.52Å; L163-T176 WeakPolarHBondContact O-CA 3.25Å; L163-L177 HydrophobicContact CB-CB 4.2Å; L163-L177 HydrophobicContact CB-CD1 4.47Å; L163-L177 HydrophobicContact CD1-CD1 4.29Å; L163-L177 PolarHBondContact N-O 3.02Å; L163-L177 PolarHBondContact O-N 2.82Å; L163-V184 HydrophobicContact CD2-CG1 3.76Å; L163-V187 HydrophobicContact CD1-CG2 4.37Å; L163-V187 HydrophobicContact CD2-CB 3.78Å; L163-V187 HydrophobicContact CD2-CG2 3.85Å; L163-W210 HydrophobicContact CD1-CG 4.36Å |
| 164 | K | 98.6 | Very high | 97.4 | Very high | 25 Ų | 25 | 35.8 Ų | 35.8 | 11% | 0.109 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.8 | 170.9 | -69.6 | 177.7 | -170.6 | -77.9 | 0 | 109.8 | G136 H137 A155 S156 W166 P173 T176 | G136-K164 WeakPolarHBondContact O-CE 3.49Å; H137-K164 WeakPolarHBondContact ND1-CE 3.49Å; A155-K164 CarbonylContact C-O 3.6Å; A155-K164 VanDerWaalsContact CA-O 3.3Å; A155-K164 WeakPolarHBondContact CA-O 3.3Å; S156-K164 PolarHBondContact N-O 3.13Å; S156-K164 PolarHBondContact O-N 2.8Å; S156-K164 PolarHBondContact OG-O 3.05Å; K164-W166 HydrophobicContact CB-CZ2 3.79Å; K164-W166 HydrophobicContact CD-CH2 4.16Å; K164-W166 HydrophobicContact CD-CZ2 3.61Å; K164-W166 HydrophobicContact CG-CZ2 4.33Å; K164-W166 PolarHBondContact O-NE1 2.85Å; K164-P173 HydrophobicContact CB-CB 4.13Å; K164-P173 HydrophobicContact CD-CB 4.38Å; K164-P173 HydrophobicContact CD-CG 4.29Å; K164-P173 HydrophobicContact CG-CB 4.41Å; K164-T176 HydrophobicContact CG-CG2 4.02Å; K164-T176 PolarHBondContact NZ-OG1 3.48Å |
| 165 | V | 98.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130 | 172.2 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | F154 A155 P173 N174 F175 L198 | F154-V165 CarbonylContact O-C 3.4Å; F154-V165 WeakPolarHBondContact O-CA 3.34Å; A155-V165 HydrophobicContact CB-CG2 4.23Å; V165-P173 CarbonylContact O-C 3.42Å; V165-N174 WeakPolarHBondContact O-CB 3.45Å; V165-N174 PolarHBondContact O-N 2.79Å; V165-F175 HydrophobicContact CB-CD1 4.4Å; V165-F175 HydrophobicContact CB-CD2 4.17Å; V165-F175 HydrophobicContact CB-CE1 3.89Å; V165-F175 HydrophobicContact CB-CE2 3.64Å; V165-F175 HydrophobicContact CB-CZ 3.48Å; V165-F175 VanDerWaalsContact CB-CZ 3.48Å; V165-F175 HydrophobicContact CG1-CE1 3.98Å; V165-F175 HydrophobicContact CG1-CE2 4.42Å; V165-F175 HydrophobicContact CG1-CZ 3.76Å; V165-F175 HydrophobicContact CG2-CD2 4.18Å; V165-F175 HydrophobicContact CG2-CE1 4.4Å; V165-F175 HydrophobicContact CG2-CE2 3.37Å; V165-F175 HydrophobicContact CG2-CZ 3.5Å; V165-F175 VanDerWaalsContact CG2-CZ 3.5Å; V165-F175 PolarHBondContact N-O 3Å; V165-F175 PolarHBondContact O-N 3.01Å; V165-L198 HydrophobicContact CG2-CD1 3.75Å |
| 166 | W | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 164.1 | -172.1 | -51.8 | 84.1 | 0 | 0 | 0 | 110.1 | I119 F134 E135 T153 F154 S156 K164 P173 | I119-W166 HydrophobicContact CD1-CZ2 4.36Å; F134-W166 HydrophobicContact CB-CD2 4.29Å; F134-W166 HydrophobicContact CB-CE3 3.86Å; F134-W166 HydrophobicContact CB-CH2 4.16Å; F134-W166 HydrophobicContact CB-CZ3 3.79Å; F134-W166 HydrophobicContact CD1-CB 4.46Å; F134-W166 HydrophobicContact CD1-CD2 4.26Å; F134-W166 AromaticContact CD1-CE3 3.73Å; F134-W166 HydrophobicContact CD1-CE3 3.73Å; F134-W166 HydrophobicContact CD1-CZ3 4.35Å; F134-W166 HydrophobicContact CG-CE3 4.2Å; E135-W166 WeakPolarHBondContact O-CH2 3.37Å; T153-W166 VanDerWaalsContact CA-O 3.22Å; T153-W166 WeakPolarHBondContact CA-O 3.25Å; T153-W166 WeakPolarHBondContact CB-O 3.23Å; F154-W166 HydrophobicContact CD1-CB 3.9Å; F154-W166 HydrophobicContact CD2-CB 4.13Å; F154-W166 AromaticContact CD2-CD1 3.74Å; F154-W166 HydrophobicContact CD2-CG 4.21Å; F154-W166 HydrophobicContact CE1-CB 3.41Å; F154-W166 VanDerWaalsContact CE1-CB 3.41Å; F154-W166 HydrophobicContact CE1-CG 4.16Å; F154-W166 HydrophobicContact CE2-CB 3.66Å; F154-W166 AromaticContact CE2-CD1 3.27Å; F154-W166 HydrophobicContact CE2-CD2 4.4Å; F154-W166 AromaticContact CE2-CG 3.52Å; F154-W166 HydrophobicContact CE2-CG 3.52Å; F154-W166 HydrophobicContact CG-CB 4.24Å; F154-W166 HydrophobicContact CZ-CB 3.28Å; F154-W166 AromaticContact CZ-CD1 3.79Å; F154-W166 HydrophobicContact CZ-CD2 4.28Å; F154-W166 AromaticContact CZ-CG 3.51Å; F154-W166 HydrophobicContact CZ-CG 3.51Å; F154-W166 PolarHBondContact N-O 3.02Å; F154-W166 VanDerWaalsContact N-O 3.09Å; F154-W166 PolarHBondContact O-N 3.31Å; S156-W166 PolarHBondContact OG-NE1 3.45Å; K164-W166 HydrophobicContact CB-CZ2 3.79Å; K164-W166 HydrophobicContact CD-CH2 4.16Å; K164-W166 HydrophobicContact CD-CZ2 3.61Å; K164-W166 HydrophobicContact CG-CZ2 4.33Å; K164-W166 PolarHBondContact O-NE1 2.85Å; W166-P173 HydrophobicContact CD2-CB 3.96Å; W166-P173 HydrophobicContact CE3-CB 3.79Å; W166-P173 HydrophobicContact CH2-CB 4.15Å; W166-P173 HydrophobicContact CH2-CG 4.25Å; W166-P173 HydrophobicContact CZ2-CB 4.28Å; W166-P173 HydrophobicContact CZ3-CB 3.9Å; W166-P173 HydrophobicContact CZ3-CG 4.13Å |
| 167 | Q | 96.8 | Very high | 97.3 | Very high | 74 Ų | 74 | 39.9 Ų | 39.9 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.1 | 172 | -174.7 | 170.3 | 0.4 | 0 | 0 | 109.1 | N152 T153 G169 S170 N174 | N152-Q167 VanDerWaalsContact ND2-CG 3.25Å; N152-Q167 WeakPolarHBondContact ND2-CG 3.44Å; N152-Q167 PolarHBondContact ND2-NE2 3.39Å; N152-Q167 WeakPolarHBondContact O-CA 3.34Å; T153-Q167 HydrophobicContact CG2-CB 4.32Å; T153-Q167 HydrophobicContact CG2-CG 4.31Å; Q167-G169 PolarHBondContact O-N 2.83Å; Q167-S170 PolarHBondContact O-N 2.8Å; Q167-N174 PolarHBondContact OE1-ND2 3.23Å |
| 168 | L | 96.1 | Very high | 97.2 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 134.9 | 174.9 | -56 | 179.2 | 0 | 0 | 0 | 109.6 | L121 F134 F146 N152 F154 S170 | L121-L168 HydrophobicContact CD1-CD2 3.97Å; L121-L168 HydrophobicContact CD2-CD2 4.12Å; F134-L168 HydrophobicContact CZ-CD2 4.09Å; F146-L168 HydrophobicContact CE1-CD1 4.31Å; F146-L168 HydrophobicContact CE1-CD2 4.31Å; N152-L168 PolarHBondContact O-N 3.21Å; F154-L168 HydrophobicContact CD1-CD2 4.06Å; F154-L168 HydrophobicContact CE1-CD2 3.93Å; L168-S170 VanDerWaalsContact C-N 3.33Å |
| 169 | G | 94.8 | Very high | 97 | Very high | 69 Ų | 69 | 49 Ų | 49 | 71% | 0.711 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | -11.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q167 | Q167-G169 PolarHBondContact O-N 2.83Š|
| 170 | S | 95.6 | Very high | 97 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | trans | -97.7 | 129.6 | 172.3 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | Q132 F134 Q167 L168 Q172 | Q132-S170 VanDerWaalsContact NE2-C 3.25Å; Q132-S170 PolarHBondContact NE2-O 3.31Å; F134-S170 WeakPolarHBondContact CE1-O 3.32Å; Q167-S170 PolarHBondContact O-N 2.8Å; L168-S170 VanDerWaalsContact C-N 3.33Å; S170-Q172 VanDerWaalsContact C-N 3.3Å; S170-Q172 PolarHBondContact OG-N 3.43Å; S170-Q172 PolarHBondContact OG-O 2.76Å | ||
| 171 | S | 92.2 | Very high | 97 | Very high | 80 Ų | 80 | 54 Ų | 54 | 56% | 0.559 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -78 | -14.5 | 173.9 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 172 | Q | 95.5 | Very high | 96.9 | Very high | 126 Ų | 126 | 52.6 Ų | 52.6 | 59% | 0.589 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -110.5 | 146 | 179.3 | -65.4 | -65 | -35.4 | 0 | 0 | 110.2 | S170 | S170-Q172 VanDerWaalsContact C-N 3.3Å; S170-Q172 PolarHBondContact OG-N 3.43Å; S170-Q172 PolarHBondContact OG-O 2.76Å |
| 173 | P | 97.4 | Very high | 96.9 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | trans | -65.3 | 140.9 | 173.2 | 29.2 | -33.6 | 0 | 0 | 0 | 109.7 | K164 V165 W166 F175 | K164-P173 HydrophobicContact CB-CB 4.13Å; K164-P173 HydrophobicContact CD-CB 4.38Å; K164-P173 HydrophobicContact CD-CG 4.29Å; K164-P173 HydrophobicContact CG-CB 4.41Å; V165-P173 CarbonylContact O-C 3.42Å; W166-P173 HydrophobicContact CD2-CB 3.96Å; W166-P173 HydrophobicContact CE3-CB 3.79Å; W166-P173 HydrophobicContact CH2-CB 4.15Å; W166-P173 HydrophobicContact CH2-CG 4.25Å; W166-P173 HydrophobicContact CZ2-CB 4.28Å; W166-P173 HydrophobicContact CZ3-CB 3.9Å; W166-P173 HydrophobicContact CZ3-CG 4.13Å; P173-F175 PolarHBondContact O-N 2.87Å | ||
| 174 | N | 96.7 | Very high | 96.9 | Very high | 68 Ų | 68 | 52.4 Ų | 52.4 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -60.9 | -37.9 | 174.5 | -74 | -0.6 | 0 | 0 | 0 | 110.9 | V165 Q167 | V165-N174 WeakPolarHBondContact O-CB 3.45Å; V165-N174 PolarHBondContact O-N 2.79Å; Q167-N174 PolarHBondContact OE1-ND2 3.23Å |
| 175 | F | 97.1 | Very high | 96.9 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 164.2 | 171.7 | 51.5 | -89.1 | 0 | 0 | 0 | 112.1 | V165 P173 L177 Y212 | V165-F175 HydrophobicContact CB-CD1 4.4Å; V165-F175 HydrophobicContact CB-CD2 4.17Å; V165-F175 HydrophobicContact CB-CE1 3.89Å; V165-F175 HydrophobicContact CB-CE2 3.64Å; V165-F175 HydrophobicContact CB-CZ 3.48Å; V165-F175 VanDerWaalsContact CB-CZ 3.48Å; V165-F175 HydrophobicContact CG1-CE1 3.98Å; V165-F175 HydrophobicContact CG1-CE2 4.42Å; V165-F175 HydrophobicContact CG1-CZ 3.76Å; V165-F175 HydrophobicContact CG2-CD2 4.18Å; V165-F175 HydrophobicContact CG2-CE1 4.4Å; V165-F175 HydrophobicContact CG2-CE2 3.37Å; V165-F175 HydrophobicContact CG2-CZ 3.5Å; V165-F175 VanDerWaalsContact CG2-CZ 3.5Å; V165-F175 PolarHBondContact N-O 3Å; V165-F175 PolarHBondContact O-N 3.01Å; P173-F175 PolarHBondContact O-N 2.87Å; F175-L177 HydrophobicContact CD2-CD2 4.22Å; F175-L177 HydrophobicContact CD2-CG 4.22Å; F175-L177 HydrophobicContact CE2-CD1 4.42Å; F175-L177 HydrophobicContact CE2-CD2 4.41Å; F175-L177 HydrophobicContact CE2-CG 4.31Å; F175-Y212 HydrophobicContact CZ-CD2 4.33Å; F175-Y212 HydrophobicContact CZ-CG 4.43Å; F175-Y212 WeakPolarHBondContact CZ-O 3.06Å |
| 176 | T | 97.9 | Very high | 96.9 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.7 | 174.4 | -55.7 | 0 | 0 | 0 | 0 | 108.7 | T162 L163 K164 E178 | T162-T176 HydrophobicContact CG2-CG2 3.84Å; L163-T176 CarbonylContact O-C 3.52Å; L163-T176 WeakPolarHBondContact O-CA 3.25Å; K164-T176 HydrophobicContact CG-CG2 4.02Å; K164-T176 PolarHBondContact NZ-OG1 3.48Å; T176-E178 HydrophobicContact CG2-CG 4.14Å |
| 177 | L | 97.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.3 | 171.5 | -57.5 | 170.8 | 0 | 0 | 0 | 108.6 | T162 L163 F175 L198 W210 K215 | T162-L177 WeakPolarHBondContact CA-O 3.45Å; L163-L177 HydrophobicContact CB-CB 4.2Å; L163-L177 HydrophobicContact CB-CD1 4.47Å; L163-L177 HydrophobicContact CD1-CD1 4.29Å; L163-L177 PolarHBondContact N-O 3.02Å; L163-L177 PolarHBondContact O-N 2.82Å; F175-L177 HydrophobicContact CD2-CD2 4.22Å; F175-L177 HydrophobicContact CD2-CG 4.22Å; F175-L177 HydrophobicContact CE2-CD1 4.42Å; F175-L177 HydrophobicContact CE2-CD2 4.41Å; F175-L177 HydrophobicContact CE2-CG 4.31Å; L177-L198 HydrophobicContact CD1-CD1 4.11Å; L177-W210 HydrophobicContact CB-CE3 4.2Å; L177-W210 HydrophobicContact CB-CZ3 4.38Å; L177-W210 HydrophobicContact CD1-CB 3.85Å; L177-W210 HydrophobicContact CD1-CD2 4.22Å; L177-W210 HydrophobicContact CD1-CE3 4.38Å; L177-W210 HydrophobicContact CD1-CG 4Å; L177-K215 HydrophobicContact CD2-CB 3.91Å; L177-K215 HydrophobicContact CD2-CG 4.37Å |
| 178 | E | 96.9 | Very high | 97 | Very high | 148 Ų | 148 | 49.3 Ų | 49.3 | 69% | 0.692 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 145.2 | -178.2 | -58.4 | -176.8 | 175.8 | 0 | 0 | 109.3 | T162 T176 | T162-E178 HydrophobicContact CG2-CG 4.02Å; T176-E178 HydrophobicContact CG2-CG 4.14Å |
| 179 | G | 94.4 | Very high | 97 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 44% | 0.443 | 28% | 0.278 | S | S | . | . | trans | 155.3 | -8.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116 | K208 | G179-K208 WeakPolarHBondContact O-CE 3.36Š| ||
| 180 | H | 97.9 | Very high | 97 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.046 | 25% | 0.251 | C | S | . | . | trans | -75.5 | 142.6 | 161.8 | -79.8 | -71.7 | 0 | 0 | 0 | 110 | K182 V184 S200 A202 D204 W210 | H180-K182 WeakPolarHBondContact CB-O 3.37Å; H180-V184 HydrophobicContact CB-CG2 4.08Å; H180-S200 PolarHBondContact CD2-OG 3.47Å; H180-S200 PolarHBondContact NE2-OG 3.11Å; H180-A202 HydrophobicContact CB-CB 4.17Å; H180-A202 VanDerWaalsContact ND1-CB 3.32Å; H180-A202 WeakPolarHBondContact ND1-CB 3.44Å; H180-D204 WeakPolarHBondContact CA-OD2 3.2Å; H180-D204 WeakPolarHBondContact CB-OD2 3.4Å; H180-D204 IonicContact CE1-OD1 2.68Å; H180-D204 IonicContact CE1-OD2 2.72Å; H180-D204 IonicContact CG-OD2 2.87Å; H180-D204 VanDerWaalsContact ND1-CG 3.33Å; H180-D204 IonicContact ND1-OD1 2.68Å; H180-D204 PolarHBondContact ND1-OD1 3.39Å; H180-D204 VanDerWaalsContact ND1-OD1 3.13Å; H180-D204 IonicContact ND1-OD2 3.87Å; H180-D204 PolarHBondContact ND1-OD2 2.9Å; H180-W210 AromaticContact CD2-CZ2 3.97Å | ||
| 181 | E | 97.9 | Very high | 96.5 | Very high | 163 Ų | 163 | 47.7 Ų | 47.7 | 76% | 0.762 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -84 | -20.4 | -179.9 | -64.7 | -161.6 | 158.5 | 0 | 0 | 112.5 | R161 D204 | R161-E181 VanDerWaalsContact CD-O 3.22Å; R161-E181 WeakPolarHBondContact CD-O 3.19Å; E181-D204 HydrophobicContact CB-CB 4.48Å; E181-D204 PolarHBondContact N-OD2 3.06Å; E181-D204 VanDerWaalsContact N-OD2 3.08Å |
| 182 | K | 98.3 | Very high | 95.7 | Very high | 110 Ų | 110 | 44.8 Ų | 44.8 | 48% | 0.478 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -128.1 | 177.3 | 177.4 | -65.1 | -179.7 | 173.2 | -176.2 | 0 | 111.2 | R161 H180 D203 D204 | R161-K182 WeakPolarHBondContact CG-O 3.48Å; H180-K182 WeakPolarHBondContact CB-O 3.37Å; K182-D203 HydrophobicContact CB-CB 3.8Å; K182-D203 HydrophobicContact CD-CB 3.98Å; K182-D203 VanDerWaalsContact CD-O 3.25Å; K182-D203 WeakPolarHBondContact CD-O 3.5Å; K182-D204 HydrophobicContact CB-CB 4.17Å; K182-D204 HydrophobicContact CD-CB 4.45Å; K182-D204 HydrophobicContact CG-CB 4.34Å |
| 183 | G | 98.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | trans | -57.8 | 141.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | A202 D203 | G183-A202 VanDerWaalsContact O-CA 3.31Å; G183-A202 WeakPolarHBondContact O-CA 3.2Å; G183-A202 WeakPolarHBondContact O-CB 3.47Å; G183-D203 PolarHBondContact O-N 3.26Å | ||
| 184 | V | 98.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.9 | 179 | -167.4 | 0 | 0 | 0 | 0 | 109.2 | A157 S158 L163 H180 | A157-V184 HydrophobicContact CB-CB 4.14Å; A157-V184 HydrophobicContact CB-CG1 3.78Å; S158-V184 CarbonylContact C-O 3.53Å; S158-V184 PolarHBondContact O-N 2.81Å; L163-V184 HydrophobicContact CD2-CG1 3.76Å; H180-V184 HydrophobicContact CB-CG2 4.08Å |
| 185 | N | 98.6 | Very high | 93.1 | Very high | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -38.3 | -175.2 | -67.2 | -42.2 | 0 | 0 | 0 | 112.3 | M142 G201 D203 V228 | M142-N185 WeakPolarHBondContact CB-O 3.47Å; N185-G201 PolarHBondContact N-O 2.94Å; N185-D203 PolarHBondContact ND2-OD1 3.09Å; N185-V228 WeakPolarHBondContact CB-O 3.33Å; N185-V228 PolarHBondContact ND2-O 2.81Å |
| 186 | C | 98.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 151.7 | -169.8 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | S200 G201 A230 V231 | C186-S200 WeakPolarHBondContact O-CA 3.43Å; C186-S200 WeakPolarHBondContact O-CB 3.36Å; C186-G201 PolarHBondContact N-O 2.81Å; C186-G201 PolarHBondContact O-N 3.09Å; C186-G201 VanDerWaalsContact SG-CA 3.56Å; C186-A230 VanDerWaalsContact SG-CA 3.6Å; C186-V231 HydrophobicContact CB-CG2 4.07Å |
| 187 | V | 98.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 142.6 | 177.5 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | Q143 V145 A155 A157 L163 L198 I199 | Q143-V187 HydrophobicContact CB-CG1 4.33Å; Q143-V187 HydrophobicContact CG-CG1 4.45Å; Q143-V187 PolarHBondContact OE1-O 2.91Å; V145-V187 HydrophobicContact CG1-CG1 3.92Å; V145-V187 HydrophobicContact CG1-CG2 4.34Å; A155-V187 HydrophobicContact CB-CG2 3.94Å; A157-V187 HydrophobicContact CB-CB 3.98Å; A157-V187 HydrophobicContact CB-CG1 3.77Å; L163-V187 HydrophobicContact CD1-CG2 4.37Å; L163-V187 HydrophobicContact CD2-CB 3.78Å; L163-V187 HydrophobicContact CD2-CG2 3.85Å; V187-L198 HydrophobicContact CG2-CD2 3.84Å; V187-I199 VanDerWaalsContact CA-O 3.25Å; V187-I199 WeakPolarHBondContact CA-O 3.22Å |
| 188 | D | 98 | Very high | 92.8 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 9% | 0.086 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 156 | 172.8 | -166.8 | 21.9 | 0 | 0 | 0 | 111.6 | H191 L198 I199 V231 C232 F233 | D188-H191 IonicContact OD1-NE2 2.7Å; D188-L198 WeakPolarHBondContact O-CA 3.4Å; D188-L198 VanDerWaalsContact O-CD2 3.3Å; D188-L198 WeakPolarHBondContact O-CD2 3.25Å; D188-I199 HydrophobicContact CB-CG2 3.69Å; D188-I199 PolarHBondContact N-O 2.89Å; D188-I199 PolarHBondContact O-N 2.93Å; D188-V231 HydrophobicContact CB-CG2 4.48Å; D188-C232 WeakPolarHBondContact OD2-CA 3.4Å; D188-F233 PolarHBondContact OD2-N 2.78Å |
| 189 | Y | 96.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 143.9 | 175.2 | -84.2 | -82 | 0 | 0 | 0 | 111.2 | V145 N147 P148 A155 H191 L198 Y212 | V145-Y189 HydrophobicContact CG1-CD2 3.79Å; V145-Y189 HydrophobicContact CG1-CE2 4.02Å; V145-Y189 HydrophobicContact CG2-CD2 4.44Å; N147-Y189 HydrophobicContact CB-CD1 4.27Å; N147-Y189 HydrophobicContact CB-CD2 4.09Å; N147-Y189 HydrophobicContact CB-CE1 3.94Å; N147-Y189 HydrophobicContact CB-CE2 3.73Å; N147-Y189 HydrophobicContact CB-CG 4.34Å; P148-Y189 VanDerWaalsContact CD-CB 3.4Å; A155-Y189 HydrophobicContact CB-CE2 3.58Å; Y189-H191 PolarHBondContact O-CD2 3.1Å; Y189-H191 PolarHBondContact O-N 3.21Å; Y189-L198 HydrophobicContact CD1-CD2 3.43Å; Y189-L198 VanDerWaalsContact CD1-CD2 3.43Å; Y189-L198 HydrophobicContact CD1-CG 3.95Å; Y189-L198 HydrophobicContact CD2-CD2 3.81Å; Y189-L198 HydrophobicContact CE1-CD1 4.25Å; Y189-L198 HydrophobicContact CE1-CD2 3.44Å; Y189-L198 VanDerWaalsContact CE1-CD2 3.44Å; Y189-L198 HydrophobicContact CE1-CG 3.77Å; Y189-L198 HydrophobicContact CE2-CD2 3.81Å; Y189-L198 HydrophobicContact CG-CD2 3.62Å; Y189-Y212 HydrophobicContact CD1-CD1 4.45Å; Y189-Y212 HydrophobicContact CD1-CE1 4.11Å; Y189-Y212 HydrophobicContact CE1-CD1 4.13Å; Y189-Y212 HydrophobicContact CE1-CE1 4.01Å |
| 190 | Y | 93.6 | Very high | 93.1 | Very high | 34 Ų | 34 | 34.8 Ų | 34.8 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | trans | -68.7 | 125.6 | 166.7 | 177 | -105.2 | 0 | 0 | 0 | 110.5 | K149 G192 D194 K195 Y197 F233 | K149-Y190 WeakPolarHBondContact CE-O 3.22Å; Y190-G192 WeakPolarHBondContact CD1-O 3.31Å; Y190-G192 VanDerWaalsContact CE1-C 3.41Å; Y190-G192 WeakPolarHBondContact CE1-O 3.46Å; Y190-D194 WeakPolarHBondContact CE1-OD1 3.48Å; Y190-D194 PolarHBondContact OH-OD1 2.98Å; Y190-K195 HydrophobicContact CD1-CB 3.87Å; Y190-K195 WeakPolarHBondContact CD1-O 3.33Å; Y190-K195 HydrophobicContact CE1-CB 3.81Å; Y190-K195 HydrophobicContact CE1-CD 4.34Å; Y190-K195 HydrophobicContact CE1-CG 4.39Å; Y190-Y197 PolarHBondContact N-O 3.16Å; Y190-F233 VanDerWaalsContact CA-CD2 3.5Å; Y190-F233 HydrophobicContact CD2-CB 4.4Å; Y190-F233 AromaticContact CD2-CD1 3.81Å; Y190-F233 HydrophobicContact CD2-CD1 3.81Å; Y190-F233 HydrophobicContact CD2-CE1 4.13Å; Y190-F233 HydrophobicContact CD2-CG 4.02Å | ||
| 191 | H | 86.2 | Confident | 93.2 | Very high | 57 Ų | 57 | 34.3 Ų | 34.3 | 26% | 0.264 | 19% | 0.191 | S | C | . | . | trans | -85.1 | -19.1 | -174.5 | -65.8 | -84.5 | 0 | 0 | 0 | 114.6 | P148 D188 Y189 F233 P235 | P148-H191 WeakPolarHBondContact CG-ND1 3.38Å; D188-H191 IonicContact OD1-NE2 2.7Å; Y189-H191 PolarHBondContact O-CD2 3.1Å; Y189-H191 PolarHBondContact O-N 3.21Å; H191-F233 PolarHBondContact CD2-O 2.87Å; H191-P235 HydrophobicContact CB-CB 4.17Å | ||
| 192 | G | 76 | Confident | 93.2 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 21% | 0.206 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -73.7 | 158.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K149 Y190 D194 | K149-G192 WeakPolarHBondContact CE-O 3.23Å; K149-G192 PolarHBondContact NZ-O 2.98Å; Y190-G192 WeakPolarHBondContact CD1-O 3.31Å; Y190-G192 VanDerWaalsContact CE1-C 3.41Å; Y190-G192 WeakPolarHBondContact CE1-O 3.46Å; G192-D194 PolarHBondContact O-N 3.15Å |
| 193 | G | 68.7 | Low | 93.2 | Very high | 80 Ų | 80 | 23 Ų | 23 | 83% | 0.825 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -74 | -22.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 194 | D | 76.9 | Confident | 93.2 | Very high | 107 Ų | 107 | 23.8 Ų | 23.8 | 57% | 0.572 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -90 | -32.3 | -162.7 | 60.8 | -33 | 0 | 0 | 0 | 114.8 | Y190 G192 | Y190-D194 WeakPolarHBondContact CE1-OD1 3.48Å; Y190-D194 PolarHBondContact OH-OD1 2.98Å; G192-D194 PolarHBondContact O-N 3.15Å |
| 195 | K | 87.7 | Confident | 93.2 | Very high | 38 Ų | 38 | 28 Ų | 28 | 17% | 0.165 | 16% | 0.161 | C | C | . | . | trans | -113.9 | 129.3 | -169.4 | -63.8 | 165 | -169 | -172.2 | 0 | 113.4 | K149 Y190 Y197 N255 | K149-K195 PolarHBondContact NZ-O 2.92Å; Y190-K195 HydrophobicContact CD1-CB 3.87Å; Y190-K195 WeakPolarHBondContact CD1-O 3.33Å; Y190-K195 HydrophobicContact CE1-CB 3.81Å; Y190-K195 HydrophobicContact CE1-CD 4.34Å; Y190-K195 HydrophobicContact CE1-CG 4.39Å; K195-Y197 HydrophobicContact CB-CD1 4.12Å; K195-Y197 HydrophobicContact CB-CD2 3.77Å; K195-Y197 HydrophobicContact CB-CE1 4.19Å; K195-Y197 HydrophobicContact CB-CE2 3.88Å; K195-Y197 HydrophobicContact CB-CG 3.89Å; K195-Y197 HydrophobicContact CD-CD2 3.97Å; K195-Y197 HydrophobicContact CD-CE2 3.59Å; K195-Y197 HydrophobicContact CG-CD2 4.33Å; K195-Y197 HydrophobicContact CG-CE2 3.98Å; K195-Y197 PolarHBondContact O-N 2.68Å; K195-N255 PolarHBondContact NZ-OD1 2.93Å | ||
| 196 | P | 93.7 | Very high | 93.2 | Very high | 19 Ų | 19 | 28.8 Ų | 28.8 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | trans | -83.5 | 61.8 | 176.8 | 35.9 | -36.6 | 0 | 0 | 0 | 111.1 | Y212 Q213 | P196-Y212 VanDerWaalsContact CA-CZ 3.47Å; P196-Y212 HydrophobicContact CB-CD1 4.31Å; P196-Y212 HydrophobicContact CB-CD2 4.25Å; P196-Y212 HydrophobicContact CB-CE1 3.81Å; P196-Y212 HydrophobicContact CB-CE2 3.72Å; P196-Y212 HydrophobicContact CB-CG 4.5Å; P196-Y212 VanDerWaalsContact CB-CZ 3.45Å; P196-Y212 WeakPolarHBondContact O-CD1 3.48Å; P196-Y212 WeakPolarHBondContact O-CE1 3.49Å; P196-Y212 PolarHBondContact O-N 3.19Å; P196-Q213 HydrophobicContact CB-CB 4.42Å; P196-Q213 HydrophobicContact CB-CG 3.72Å; P196-Q213 HydrophobicContact CG-CB 4.29Å; P196-Q213 HydrophobicContact CG-CG 4.01Å | ||
| 197 | Y | 96.5 | Very high | 93.2 | Very high | 41 Ų | 41 | 28.8 Ų | 28.8 | 16% | 0.161 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 144.6 | -171.8 | -65 | -9.4 | 0 | 0 | 0 | 114.7 | Y190 K195 I209 W210 D211 V218 Y257 | Y190-Y197 PolarHBondContact N-O 3.16Å; K195-Y197 HydrophobicContact CB-CD1 4.12Å; K195-Y197 HydrophobicContact CB-CD2 3.77Å; K195-Y197 HydrophobicContact CB-CE1 4.19Å; K195-Y197 HydrophobicContact CB-CE2 3.88Å; K195-Y197 HydrophobicContact CB-CG 3.89Å; K195-Y197 HydrophobicContact CD-CD2 3.97Å; K195-Y197 HydrophobicContact CD-CE2 3.59Å; K195-Y197 HydrophobicContact CG-CD2 4.33Å; K195-Y197 HydrophobicContact CG-CE2 3.98Å; K195-Y197 PolarHBondContact O-N 2.68Å; Y197-I209 HydrophobicContact CD2-CG2 3.83Å; Y197-I209 HydrophobicContact CE2-CG2 4.34Å; Y197-I209 HydrophobicContact CG-CG2 4.07Å; Y197-W210 CarbonylContact C-O 3.54Å; Y197-W210 WeakPolarHBondContact CA-O 3.24Å; Y197-D211 HydrophobicContact CD1-CB 4.21Å; Y197-D211 HydrophobicContact CE1-CB 4.06Å; Y197-V218 HydrophobicContact CD1-CG2 4.43Å; Y197-V218 HydrophobicContact CE1-CG2 3.91Å; Y197-V218 HydrophobicContact CE2-CG1 4.49Å; Y197-Y257 WeakPolarHBondContact CE2-OH 3.49Å |
| 198 | L | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 154.3 | 163.6 | -83.5 | 170.3 | 0 | 0 | 0 | 108.9 | A155 V165 L177 V187 D188 Y189 I209 W210 Y212 | A155-L198 HydrophobicContact CB-CD1 4.32Å; A155-L198 HydrophobicContact CB-CD2 3.94Å; V165-L198 HydrophobicContact CG2-CD1 3.75Å; L177-L198 HydrophobicContact CD1-CD1 4.11Å; V187-L198 HydrophobicContact CG2-CD2 3.84Å; D188-L198 WeakPolarHBondContact O-CA 3.4Å; D188-L198 VanDerWaalsContact O-CD2 3.3Å; D188-L198 WeakPolarHBondContact O-CD2 3.25Å; Y189-L198 HydrophobicContact CD1-CD2 3.43Å; Y189-L198 VanDerWaalsContact CD1-CD2 3.43Å; Y189-L198 HydrophobicContact CD1-CG 3.95Å; Y189-L198 HydrophobicContact CD2-CD2 3.81Å; Y189-L198 HydrophobicContact CE1-CD1 4.25Å; Y189-L198 HydrophobicContact CE1-CD2 3.44Å; Y189-L198 VanDerWaalsContact CE1-CD2 3.44Å; Y189-L198 HydrophobicContact CE1-CG 3.77Å; Y189-L198 HydrophobicContact CE2-CD2 3.81Å; Y189-L198 HydrophobicContact CG-CD2 3.62Å; L198-I209 CarbonylContact O-C 3.49Å; L198-I209 WeakPolarHBondContact O-CA 3.44Å; L198-W210 HydrophobicContact CB-CB 4.18Å; L198-W210 PolarHBondContact N-O 2.94Å; L198-W210 PolarHBondContact O-N 3.05Å; L198-Y212 HydrophobicContact CD1-CD1 4.42Å; L198-Y212 HydrophobicContact CG-CD1 4.05Å |
| 199 | I | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.5 | 171 | -174.1 | 170.2 | 0 | 0 | 0 | 109.8 | V187 D188 V207 K208 I209 V231 F233 I240 | V187-I199 VanDerWaalsContact CA-O 3.25Å; V187-I199 WeakPolarHBondContact CA-O 3.22Å; D188-I199 HydrophobicContact CB-CG2 3.69Å; D188-I199 PolarHBondContact N-O 2.89Å; D188-I199 PolarHBondContact O-N 2.93Å; I199-V207 HydrophobicContact CD1-CG1 3.58Å; I199-V207 HydrophobicContact CG1-CG1 3.59Å; I199-K208 CarbonylContact C-O 3.53Å; I199-K208 VanDerWaalsContact CA-O 3.3Å; I199-K208 WeakPolarHBondContact CA-O 3.22Å; I199-I209 HydrophobicContact CB-CD1 4.47Å; I199-I209 HydrophobicContact CD1-CD1 4.04Å; I199-I209 HydrophobicContact CG1-CD1 4.26Å; I199-V231 HydrophobicContact CD1-CB 4.1Å; I199-V231 HydrophobicContact CD1-CG1 4.41Å; I199-V231 HydrophobicContact CG1-CB 4.07Å; I199-V231 HydrophobicContact CG1-CG1 4.3Å; I199-V231 HydrophobicContact CG1-CG2 4.24Å; I199-V231 HydrophobicContact CG2-CB 4.19Å; I199-V231 HydrophobicContact CG2-CG2 3.85Å; I199-F233 HydrophobicContact CB-CD2 3.99Å; I199-F233 HydrophobicContact CB-CE2 3.43Å; I199-F233 VanDerWaalsContact CB-CE2 3.43Å; I199-F233 HydrophobicContact CB-CZ 3.88Å; I199-F233 HydrophobicContact CD1-CZ 4.5Å; I199-F233 HydrophobicContact CG2-CD2 3.44Å; I199-F233 VanDerWaalsContact CG2-CD2 3.44Å; I199-F233 HydrophobicContact CG2-CE2 3.44Å; I199-F233 VanDerWaalsContact CG2-CE2 3.44Å; I199-F233 HydrophobicContact CG2-CG 4.3Å; I199-F233 HydrophobicContact CG2-CZ 4.26Å; I199-I240 HydrophobicContact CD1-CB 4.45Å; I199-I240 HydrophobicContact CD1-CG1 4.39Å; I199-I240 HydrophobicContact CD1-CG2 3.26Å |
| 200 | S | 98.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 149.3 | 173.6 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | H180 C186 V207 K208 W210 | H180-S200 PolarHBondContact CD2-OG 3.47Å; H180-S200 PolarHBondContact NE2-OG 3.11Å; C186-S200 WeakPolarHBondContact O-CA 3.43Å; C186-S200 WeakPolarHBondContact O-CB 3.36Å; S200-V207 CarbonylContact O-C 3.45Å; S200-V207 VanDerWaalsContact O-CA 3.22Å; S200-V207 WeakPolarHBondContact O-CA 3.24Å; S200-K208 PolarHBondContact N-O 2.88Å; S200-K208 PolarHBondContact O-N 2.81Å; S200-W210 PolarHBondContact OG-NE1 2.92Å |
| 201 | G | 98.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 144 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | N185 C186 V228 | N185-G201 PolarHBondContact N-O 2.94Å; C186-G201 PolarHBondContact N-O 2.81Å; C186-G201 PolarHBondContact O-N 3.09Å; C186-G201 VanDerWaalsContact SG-CA 3.56Å; G201-V228 CarbonylContact C-O 3.52Å |
| 202 | A | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 172.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H180 G183 D204 K205 L206 V228 | H180-A202 HydrophobicContact CB-CB 4.17Å; H180-A202 VanDerWaalsContact ND1-CB 3.32Å; H180-A202 WeakPolarHBondContact ND1-CB 3.44Å; G183-A202 VanDerWaalsContact O-CA 3.31Å; G183-A202 WeakPolarHBondContact O-CA 3.2Å; G183-A202 WeakPolarHBondContact O-CB 3.47Å; A202-D204 WeakPolarHBondContact CB-OD1 3.16Å; A202-D204 PolarHBondContact O-N 2.85Å; A202-K205 PolarHBondContact O-N 3.43Å; A202-L206 PolarHBondContact N-O 3.22Å; A202-V228 PolarHBondContact O-N 3.03Å |
| 203 | D | 98.5 | Very high | 94.7 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 20% | 0.198 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -7.3 | 176.7 | -68.8 | -17.5 | 0 | 0 | 0 | 113.7 | K182 G183 N185 K205 N227 | K182-D203 HydrophobicContact CB-CB 3.8Å; K182-D203 HydrophobicContact CD-CB 3.98Å; K182-D203 VanDerWaalsContact CD-O 3.25Å; K182-D203 WeakPolarHBondContact CD-O 3.5Å; G183-D203 PolarHBondContact O-N 3.26Å; N185-D203 PolarHBondContact ND2-OD1 3.09Å; D203-K205 PolarHBondContact O-N 2.83Å; D203-N227 PolarHBondContact O-OD1 2.91Å; D203-N227 WeakPolarHBondContact OD1-CB 3.2Å; D203-N227 VanDerWaalsContact OD1-CG 3.23Å; D203-N227 PolarHBondContact OD1-ND2 2.79Å |
| 204 | D | 98.3 | Very high | 96 | Very high | 24 Ų | 24 | 34.6 Ų | 34.6 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 3.7 | 169.6 | 66.1 | 7.6 | 0 | 0 | 0 | 112.5 | H180 E181 K182 A202 L206 | H180-D204 WeakPolarHBondContact CA-OD2 3.2Å; H180-D204 WeakPolarHBondContact CB-OD2 3.4Å; H180-D204 IonicContact CE1-OD1 2.68Å; H180-D204 IonicContact CE1-OD2 2.72Å; H180-D204 IonicContact CG-OD2 2.87Å; H180-D204 VanDerWaalsContact ND1-CG 3.33Å; H180-D204 IonicContact ND1-OD1 2.68Å; H180-D204 PolarHBondContact ND1-OD1 3.39Å; H180-D204 VanDerWaalsContact ND1-OD1 3.13Å; H180-D204 IonicContact ND1-OD2 3.87Å; H180-D204 PolarHBondContact ND1-OD2 2.9Å; E181-D204 HydrophobicContact CB-CB 4.48Å; E181-D204 PolarHBondContact N-OD2 3.06Å; E181-D204 VanDerWaalsContact N-OD2 3.08Å; K182-D204 HydrophobicContact CB-CB 4.17Å; K182-D204 HydrophobicContact CD-CB 4.45Å; K182-D204 HydrophobicContact CG-CB 4.34Å; A202-D204 WeakPolarHBondContact CB-OD1 3.16Å; A202-D204 PolarHBondContact O-N 2.85Å; D204-L206 PolarHBondContact O-N 2.72Å; D204-L206 VanDerWaalsContact OD1-CB 3.31Å; D204-L206 WeakPolarHBondContact OD1-CB 3.27Å; D204-L206 PolarHBondContact OD1-N 2.99Å |
| 205 | K | 98.5 | Very high | 96.9 | Very high | 89 Ų | 89 | 34.9 Ų | 34.9 | 39% | 0.387 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 70.6 | 9.5 | 177.8 | -41.9 | 170.3 | 179.5 | -163.6 | 0 | 113.4 | A202 D203 V225 Q226 | A202-K205 PolarHBondContact O-N 3.43Å; D203-K205 PolarHBondContact O-N 2.83Å; K205-V225 VanDerWaalsContact CD-O 3.27Å; K205-V225 WeakPolarHBondContact CD-O 3.48Å; K205-V225 WeakPolarHBondContact CE-O 3.44Å; K205-V225 PolarHBondContact NZ-O 2.96Å; K205-Q226 WeakPolarHBondContact CB-O 3.38Å |
| 206 | L | 98.4 | Very high | 97.3 | Very high | 40 Ų | 40 | 36.5 Ų | 36.5 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | trans | -101.1 | 152.7 | -178.3 | -56.8 | 178.5 | 0 | 0 | 0 | 110.8 | A202 D204 T220 E222 | A202-L206 PolarHBondContact N-O 3.22Å; D204-L206 PolarHBondContact O-N 2.72Å; D204-L206 VanDerWaalsContact OD1-CB 3.31Å; D204-L206 WeakPolarHBondContact OD1-CB 3.27Å; D204-L206 PolarHBondContact OD1-N 2.99Å; L206-T220 HydrophobicContact CB-CG2 4.2Å; L206-T220 HydrophobicContact CD1-CG2 4.05Å; L206-T220 HydrophobicContact CD2-CG2 4.05Å; L206-T220 HydrophobicContact CG-CG2 4.34Å; L206-E222 HydrophobicContact CD2-CG 3.82Å | ||
| 207 | V | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.9 | 163.3 | 173.8 | 0 | 0 | 0 | 0 | 108.6 | I199 S200 T220 L221 V228 V231 T242 | I199-V207 HydrophobicContact CD1-CG1 3.58Å; I199-V207 HydrophobicContact CG1-CG1 3.59Å; S200-V207 CarbonylContact O-C 3.45Å; S200-V207 VanDerWaalsContact O-CA 3.22Å; S200-V207 WeakPolarHBondContact O-CA 3.24Å; V207-T220 CarbonylContact O-C 3.4Å; V207-T220 WeakPolarHBondContact O-CA 3.41Å; V207-L221 HydrophobicContact CB-CB 4.11Å; V207-L221 HydrophobicContact CG1-CD1 4.34Å; V207-L221 HydrophobicContact CG1-CD2 4.44Å; V207-L221 PolarHBondContact N-O 2.81Å; V207-L221 PolarHBondContact O-N 3.09Å; V207-V228 HydrophobicContact CG2-CB 4.19Å; V207-V228 HydrophobicContact CG2-CG1 3.66Å; V207-V228 HydrophobicContact CG2-CG2 3.9Å; V207-V231 HydrophobicContact CG1-CG1 4.04Å; V207-V231 HydrophobicContact CG2-CG1 3.97Å; V207-T242 HydrophobicContact CB-CG2 4.47Å; V207-T242 HydrophobicContact CG1-CG2 4.15Å; V207-T242 HydrophobicContact CG2-CG2 3.87Å |
| 208 | K | 98.6 | Very high | 97.5 | Very high | 25 Ų | 25 | 39 Ų | 39 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.2 | -179.1 | -71.4 | -177.8 | 179.9 | -71.7 | 0 | 110.9 | G179 I199 S200 W210 A219 T220 | G179-K208 WeakPolarHBondContact O-CE 3.36Å; I199-K208 CarbonylContact C-O 3.53Å; I199-K208 VanDerWaalsContact CA-O 3.3Å; I199-K208 WeakPolarHBondContact CA-O 3.22Å; S200-K208 PolarHBondContact N-O 2.88Å; S200-K208 PolarHBondContact O-N 2.81Å; K208-W210 HydrophobicContact CB-CZ2 3.67Å; K208-W210 HydrophobicContact CD-CH2 3.84Å; K208-W210 HydrophobicContact CD-CZ2 3.5Å; K208-W210 VanDerWaalsContact CD-CZ2 3.5Å; K208-W210 HydrophobicContact CG-CZ2 4.21Å; K208-W210 PolarHBondContact O-NE1 2.97Å; K208-A219 WeakPolarHBondContact CA-O 3.4Å; K208-T220 HydrophobicContact CG-CG2 4.39Å; K208-T220 PolarHBondContact NZ-OG1 2.9Å |
| 209 | I | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.8 | 170.2 | -52 | -86 | 0 | 0 | 0 | 107.1 | Y197 L198 I199 C217 V218 A219 L221 F233 I240 Y257 | Y197-I209 HydrophobicContact CD2-CG2 3.83Å; Y197-I209 HydrophobicContact CE2-CG2 4.34Å; Y197-I209 HydrophobicContact CG-CG2 4.07Å; L198-I209 CarbonylContact O-C 3.49Å; L198-I209 WeakPolarHBondContact O-CA 3.44Å; I199-I209 HydrophobicContact CB-CD1 4.47Å; I199-I209 HydrophobicContact CD1-CD1 4.04Å; I199-I209 HydrophobicContact CG1-CD1 4.26Å; I209-C217 CarbonylContact O-C 3.58Å; I209-C217 WeakPolarHBondContact O-CA 3.22Å; I209-V218 HydrophobicContact CB-CB 4.29Å; I209-V218 HydrophobicContact CG2-CB 4.02Å; I209-V218 PolarHBondContact O-N 3.3Å; I209-A219 HydrophobicContact CB-CB 4.3Å; I209-A219 HydrophobicContact CG1-CB 4.11Å; I209-A219 PolarHBondContact N-O 3.36Å; I209-L221 HydrophobicContact CD1-CD1 4.24Å; I209-L221 HydrophobicContact CG1-CD1 3.64Å; I209-F233 HydrophobicContact CD1-CE1 3.84Å; I209-F233 HydrophobicContact CD1-CZ 3.53Å; I209-F233 HydrophobicContact CG2-CZ 4.41Å; I209-I240 HydrophobicContact CD1-CD1 3.63Å; I209-Y257 HydrophobicContact CD1-CD1 4.18Å; I209-Y257 HydrophobicContact CD1-CE1 3.73Å; I209-Y257 HydrophobicContact CG1-CD1 4.1Å; I209-Y257 HydrophobicContact CG1-CE1 3.74Å; I209-Y257 HydrophobicContact CG2-CE1 4.49Å |
| 210 | W | 98.1 | Very high | 97.4 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.6 | -177.9 | -50.4 | 87.1 | 0 | 0 | 0 | 110.4 | L163 L177 H180 Y197 L198 S200 K208 T216 C217 | L163-W210 HydrophobicContact CD1-CG 4.36Å; L177-W210 HydrophobicContact CB-CE3 4.2Å; L177-W210 HydrophobicContact CB-CZ3 4.38Å; L177-W210 HydrophobicContact CD1-CB 3.85Å; L177-W210 HydrophobicContact CD1-CD2 4.22Å; L177-W210 HydrophobicContact CD1-CE3 4.38Å; L177-W210 HydrophobicContact CD1-CG 4Å; H180-W210 AromaticContact CD2-CZ2 3.97Å; Y197-W210 CarbonylContact C-O 3.54Å; Y197-W210 WeakPolarHBondContact CA-O 3.24Å; L198-W210 HydrophobicContact CB-CB 4.18Å; L198-W210 PolarHBondContact N-O 2.94Å; L198-W210 PolarHBondContact O-N 3.05Å; S200-W210 PolarHBondContact OG-NE1 2.92Å; K208-W210 HydrophobicContact CB-CZ2 3.67Å; K208-W210 HydrophobicContact CD-CH2 3.84Å; K208-W210 HydrophobicContact CD-CZ2 3.5Å; K208-W210 VanDerWaalsContact CD-CZ2 3.5Å; K208-W210 HydrophobicContact CG-CZ2 4.21Å; K208-W210 PolarHBondContact O-NE1 2.97Å; W210-T216 CarbonylContact C-O 3.54Å; W210-T216 WeakPolarHBondContact CA-O 3.21Å; W210-C217 HydrophobicContact CE3-CB 4.07Å; W210-C217 HydrophobicContact CZ3-CB 3.99Å |
| 211 | D | 96.7 | Very high | 97.4 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 109.9 | 161.7 | -176.9 | -36.3 | 0 | 0 | 0 | 107.6 | Y197 Q213 N214 K215 T216 V218 | Y197-D211 HydrophobicContact CD1-CB 4.21Å; Y197-D211 HydrophobicContact CE1-CB 4.06Å; D211-Q213 VanDerWaalsContact C-N 3.3Å; D211-Q213 PolarHBondContact O-N 2.81Å; D211-Q213 WeakPolarHBondContact OD1-CA 3.24Å; D211-Q213 WeakPolarHBondContact OD1-CB 3.21Å; D211-Q213 PolarHBondContact OD1-N 3.46Å; D211-N214 HydrophobicContact CB-CB 4.2Å; D211-N214 PolarHBondContact OD1-N 2.75Å; D211-N214 PolarHBondContact OD2-ND2 2.86Å; D211-K215 WeakPolarHBondContact O-CA 3.3Å; D211-K215 PolarHBondContact O-N 2.81Å; D211-T216 PolarHBondContact N-O 3.43Å; D211-T216 PolarHBondContact O-N 2.76Å; D211-V218 HydrophobicContact CB-CG2 3.65Å |
| 212 | Y | 94.8 | Very high | 97.3 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -12.8 | -174.7 | 66.1 | -112 | 0 | 0 | 0 | 113.3 | F175 Y189 P196 L198 | F175-Y212 HydrophobicContact CZ-CD2 4.33Å; F175-Y212 HydrophobicContact CZ-CG 4.43Å; F175-Y212 WeakPolarHBondContact CZ-O 3.06Å; Y189-Y212 HydrophobicContact CD1-CD1 4.45Å; Y189-Y212 HydrophobicContact CD1-CE1 4.11Å; Y189-Y212 HydrophobicContact CE1-CD1 4.13Å; Y189-Y212 HydrophobicContact CE1-CE1 4.01Å; P196-Y212 VanDerWaalsContact CA-CZ 3.47Å; P196-Y212 HydrophobicContact CB-CD1 4.31Å; P196-Y212 HydrophobicContact CB-CD2 4.25Å; P196-Y212 HydrophobicContact CB-CE1 3.81Å; P196-Y212 HydrophobicContact CB-CE2 3.72Å; P196-Y212 HydrophobicContact CB-CG 4.5Å; P196-Y212 VanDerWaalsContact CB-CZ 3.45Å; P196-Y212 WeakPolarHBondContact O-CD1 3.48Å; P196-Y212 WeakPolarHBondContact O-CE1 3.49Å; P196-Y212 PolarHBondContact O-N 3.19Å; L198-Y212 HydrophobicContact CD1-CD1 4.42Å; L198-Y212 HydrophobicContact CG-CD1 4.05Å |
| 213 | Q | 93.8 | Very high | 97.1 | Very high | 133 Ų | 133 | 51 Ų | 51 | 62% | 0.621 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -47.8 | 171.6 | -72.5 | 179.2 | -10 | 0 | 0 | 110.3 | P196 D211 | P196-Q213 HydrophobicContact CB-CB 4.42Å; P196-Q213 HydrophobicContact CB-CG 3.72Å; P196-Q213 HydrophobicContact CG-CB 4.29Å; P196-Q213 HydrophobicContact CG-CG 4.01Å; D211-Q213 VanDerWaalsContact C-N 3.3Å; D211-Q213 PolarHBondContact O-N 2.81Å; D211-Q213 WeakPolarHBondContact OD1-CA 3.24Å; D211-Q213 WeakPolarHBondContact OD1-CB 3.21Å; D211-Q213 PolarHBondContact OD1-N 3.46Å |
| 214 | N | 95.6 | Very high | 97.1 | Very high | 110 Ų | 110 | 49.9 Ų | 49.9 | 59% | 0.588 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -14.5 | -180 | -66.8 | -47.8 | 0 | 0 | 0 | 113.3 | D211 T216 | D211-N214 HydrophobicContact CB-CB 4.2Å; D211-N214 PolarHBondContact OD1-N 2.75Å; D211-N214 PolarHBondContact OD2-ND2 2.86Å; N214-T216 VanDerWaalsContact C-N 3.29Å; N214-T216 HydrophobicContact CB-CG2 4.48Å; N214-T216 PolarHBondContact O-N 3.01Å |
| 215 | K | 96.3 | Very high | 97.1 | Very high | 114 Ų | 114 | 53.2 Ų | 53.2 | 50% | 0.496 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 38.2 | -179.6 | -51.6 | 163.8 | -169.8 | -106.8 | 0 | 112.2 | L177 D211 | L177-K215 HydrophobicContact CD2-CB 3.91Å; L177-K215 HydrophobicContact CD2-CG 4.37Å; D211-K215 WeakPolarHBondContact O-CA 3.3Å; D211-K215 PolarHBondContact O-N 2.81Å |
| 216 | T | 96.6 | Very high | 97 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 44% | 0.436 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 150.4 | -177.1 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | W210 D211 N214 V218 | W210-T216 CarbonylContact C-O 3.54Å; W210-T216 WeakPolarHBondContact CA-O 3.21Å; D211-T216 PolarHBondContact N-O 3.43Å; D211-T216 PolarHBondContact O-N 2.76Å; N214-T216 VanDerWaalsContact C-N 3.29Å; N214-T216 HydrophobicContact CB-CG2 4.48Å; N214-T216 PolarHBondContact O-N 3.01Å; T216-V218 PolarHBondContact O-N 3.38Å |
| 217 | C | 97.1 | Very high | 97 | Very high | 54 Ų | 54 | 53.4 Ų | 53.4 | 37% | 0.365 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 111.8 | 168.6 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | I209 W210 A219 | I209-C217 CarbonylContact O-C 3.58Å; I209-C217 WeakPolarHBondContact O-CA 3.22Å; W210-C217 HydrophobicContact CE3-CB 4.07Å; W210-C217 HydrophobicContact CZ3-CB 3.99Å; C217-A219 PolarHBondContact SG-O 2.93Å; C217-A219 VanDerWaalsContact SG-O 3.4Å |
| 218 | V | 96.4 | Very high | 97 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -42.3 | -179.7 | 177.2 | 0 | 0 | 0 | 0 | 111 | Y197 I209 D211 T216 Y257 | Y197-V218 HydrophobicContact CD1-CG2 4.43Å; Y197-V218 HydrophobicContact CE1-CG2 3.91Å; Y197-V218 HydrophobicContact CE2-CG1 4.49Å; I209-V218 HydrophobicContact CB-CB 4.29Å; I209-V218 HydrophobicContact CG2-CB 4.02Å; I209-V218 PolarHBondContact O-N 3.3Å; D211-V218 HydrophobicContact CB-CG2 3.65Å; T216-V218 PolarHBondContact O-N 3.38Å; V218-Y257 HydrophobicContact CG1-CE2 4.34Å |
| 219 | A | 97.3 | Very high | 97 | Very high | 17 Ų | 17 | 53 Ų | 53 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 150.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | K208 I209 C217 L221 Y257 | K208-A219 WeakPolarHBondContact CA-O 3.4Å; I209-A219 HydrophobicContact CB-CB 4.3Å; I209-A219 HydrophobicContact CG1-CB 4.11Å; I209-A219 PolarHBondContact N-O 3.36Å; C217-A219 PolarHBondContact SG-O 2.93Å; C217-A219 VanDerWaalsContact SG-O 3.4Å; A219-L221 HydrophobicContact CB-CD1 4.35Å; A219-Y257 HydrophobicContact CB-CD1 4.39Å; A219-Y257 HydrophobicContact CB-CD2 3.51Å; A219-Y257 HydrophobicContact CB-CE2 3.68Å; A219-Y257 HydrophobicContact CB-CG 3.88Å |
| 220 | T | 98.1 | Very high | 97 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 33% | 0.325 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122 | 169 | -63 | 0 | 0 | 0 | 0 | 107.5 | L206 V207 K208 E222 | L206-T220 HydrophobicContact CB-CG2 4.2Å; L206-T220 HydrophobicContact CD1-CG2 4.05Å; L206-T220 HydrophobicContact CD2-CG2 4.05Å; L206-T220 HydrophobicContact CG-CG2 4.34Å; V207-T220 CarbonylContact O-C 3.4Å; V207-T220 WeakPolarHBondContact O-CA 3.41Å; K208-T220 HydrophobicContact CG-CG2 4.39Å; K208-T220 PolarHBondContact NZ-OG1 2.9Å; T220-E222 HydrophobicContact CG2-CG 4.18Å |
| 221 | L | 98.1 | Very high | 97 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 118.9 | 180 | -61.9 | 70 | 0 | 0 | 0 | 107.3 | V207 I209 A219 I240 W252 Y257 | V207-L221 HydrophobicContact CB-CB 4.11Å; V207-L221 HydrophobicContact CG1-CD1 4.34Å; V207-L221 HydrophobicContact CG1-CD2 4.44Å; V207-L221 PolarHBondContact N-O 2.81Å; V207-L221 PolarHBondContact O-N 3.09Å; I209-L221 HydrophobicContact CD1-CD1 4.24Å; I209-L221 HydrophobicContact CG1-CD1 3.64Å; A219-L221 HydrophobicContact CB-CD1 4.35Å; L221-I240 HydrophobicContact CD2-CD1 4.21Å; L221-W252 HydrophobicContact CB-CD2 4.46Å; L221-W252 HydrophobicContact CB-CE3 4.24Å; L221-W252 HydrophobicContact CB-CH2 4.2Å; L221-W252 HydrophobicContact CB-CZ2 4.39Å; L221-W252 HydrophobicContact CB-CZ3 4.1Å; L221-W252 HydrophobicContact CD2-CB 4.01Å; L221-W252 HydrophobicContact CD2-CD2 3.65Å; L221-W252 HydrophobicContact CD2-CE3 3.9Å; L221-W252 HydrophobicContact CD2-CG 3.68Å; L221-W252 HydrophobicContact CG-CD2 4.5Å; L221-W252 HydrophobicContact CG-CE3 4.32Å; L221-Y257 HydrophobicContact CD1-CD1 4.48Å |
| 222 | E | 96.6 | Very high | 97 | Very high | 140 Ų | 140 | 52.9 Ų | 52.9 | 65% | 0.654 | 29% | 0.291 | S | S | * | . | trans | -111 | 145.4 | -175.2 | -64.5 | -176.4 | -176.9 | 0 | 0 | 111.3 | L206 T220 W252 | L206-E222 HydrophobicContact CD2-CG 3.82Å; T220-E222 HydrophobicContact CG2-CG 4.18Å; E222-W252 VanDerWaalsContact O-CH2 3.32Å; E222-W252 WeakPolarHBondContact O-CH2 3.44Å | ||
| 223 | G | 94.6 | Very high | 97 | Very high | 37 Ų | 37 | 51.4 Ų | 51.4 | 38% | 0.381 | 29% | 0.285 | S | S | . | . | trans | 142.9 | -12 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R250 | G223-R250 VanDerWaalsContact CA-NH1 3.27Å; G223-R250 PolarHBondContact O-NH1 3.07Å; G223-R250 VanDerWaalsContact O-NH1 3.16Å; G223-R250 PolarHBondContact O-NH2 2.86Å | ||
| 224 | H | 97.9 | Very high | 96.8 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 6% | 0.06 | 26% | 0.256 | C | S | . | . | trans | -63.3 | 145 | 166.6 | -81.9 | -62.2 | 0 | 0 | 0 | 110.5 | V228 T242 S244 D246 T248 | H224-V228 HydrophobicContact CB-CG2 4.1Å; H224-T242 PolarHBondContact NE2-OG1 3.06Å; H224-S244 VanDerWaalsContact CE1-CB 3.44Å; H224-S244 WeakPolarHBondContact CE1-CB 3.32Å; H224-S244 WeakPolarHBondContact ND1-CB 3.49Å; H224-D246 VanDerWaalsContact CA-OD2 3.26Å; H224-D246 WeakPolarHBondContact CA-OD2 3.29Å; H224-D246 IonicContact CE1-OD1 3.87Å; H224-D246 IonicContact CE1-OD2 3.43Å; H224-D246 IonicContact CG-OD2 3.84Å; H224-D246 IonicContact ND1-OD1 2.67Å; H224-D246 PolarHBondContact ND1-OD1 3.18Å; H224-D246 IonicContact ND1-OD2 3.64Å; H224-D246 PolarHBondContact ND1-OD2 3.48Å; H224-T248 PolarHBondContact CE1-OG1 2.92Å; H224-T248 VanDerWaalsContact CE1-OG1 3.26Å; H224-T248 PolarHBondContact ND1-OG1 2.95Å | ||
| 225 | V | 97.8 | Very high | 96.4 | Very high | 95 Ų | 95 | 40.6 Ų | 40.6 | 58% | 0.576 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -98.8 | -19.1 | -174.2 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | K205 D246 | K205-V225 VanDerWaalsContact CD-O 3.27Å; K205-V225 WeakPolarHBondContact CD-O 3.48Å; K205-V225 WeakPolarHBondContact CE-O 3.44Å; K205-V225 PolarHBondContact NZ-O 2.96Å; V225-D246 HydrophobicContact CB-CB 4.18Å; V225-D246 PolarHBondContact N-OD2 3.07Å |
| 226 | Q | 98.3 | Very high | 95.5 | Very high | 90 Ų | 90 | 36.3 Ų | 36.3 | 42% | 0.421 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -128.4 | -174.5 | 175.1 | -58.8 | -160.9 | 12 | 0 | 0 | 111.3 | K205 S244 E245 D246 | K205-Q226 WeakPolarHBondContact CB-O 3.38Å; Q226-S244 PolarHBondContact O-OG 2.71Å; Q226-E245 HydrophobicContact CB-CB 3.93Å; Q226-E245 VanDerWaalsContact CD-O 3.26Å; Q226-E245 PolarHBondContact OE1-O 3.24Å; Q226-D246 HydrophobicContact CB-CB 4.09Å; Q226-D246 HydrophobicContact CG-CB 4.07Å |
| 227 | N | 98.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 33.9 Ų | 33.9 | 23% | 0.225 | 20% | 0.198 | C | C | . | . | trans | -53.8 | 140.1 | -177.9 | -55.8 | -18.4 | 0 | 0 | 0 | 111 | D203 S244 E245 | D203-N227 PolarHBondContact O-OD1 2.91Å; D203-N227 WeakPolarHBondContact OD1-CB 3.2Å; D203-N227 VanDerWaalsContact OD1-CG 3.23Å; D203-N227 PolarHBondContact OD1-ND2 2.79Å; N227-S244 VanDerWaalsContact O-CA 3.27Å; N227-S244 WeakPolarHBondContact O-CA 3.41Å; N227-S244 VanDerWaalsContact O-CB 3.32Å; N227-S244 WeakPolarHBondContact O-CB 3.21Å; N227-S244 PolarHBondContact O-OG 3.36Å; N227-E245 HydrophobicContact CB-CG 4.29Å; N227-E245 WeakPolarHBondContact CB-OE1 3.46Å; N227-E245 PolarHBondContact ND2-OE1 3.12Å; N227-E245 PolarHBondContact O-N 3.1Å | ||
| 228 | V | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 114.2 | 171.7 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | N185 G201 A202 V207 H224 V231 G243 | N185-V228 WeakPolarHBondContact CB-O 3.33Å; N185-V228 PolarHBondContact ND2-O 2.81Å; G201-V228 CarbonylContact C-O 3.52Å; A202-V228 PolarHBondContact O-N 3.03Å; V207-V228 HydrophobicContact CG2-CB 4.19Å; V207-V228 HydrophobicContact CG2-CG1 3.66Å; V207-V228 HydrophobicContact CG2-CG2 3.9Å; H224-V228 HydrophobicContact CB-CG2 4.1Å; V228-V231 HydrophobicContact CG1-CG1 3.98Å; V228-G243 WeakPolarHBondContact CG1-O 3.49Å |
| 229 | S | 98.3 | Very high | 93.6 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 12% | 0.119 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -25.6 | -173.8 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | G243 V270 | S229-G243 PolarHBondContact N-O 2.88Å; S229-G243 PolarHBondContact OG-O 2.91Å; S229-V270 WeakPolarHBondContact CB-O 3.07Å; S229-V270 PolarHBondContact OG-O 3.41Å |
| 230 | A | 98.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 139.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C186 T242 G243 L273 | C186-A230 VanDerWaalsContact SG-CA 3.6Å; A230-T242 CarbonylContact O-C 3.57Å; A230-T242 WeakPolarHBondContact O-CA 3.41Å; A230-G243 PolarHBondContact N-O 2.94Å; A230-G243 PolarHBondContact O-N 3.43Å; A230-L273 HydrophobicContact CB-CB 4.09Å; A230-L273 HydrophobicContact CB-CD1 3.8Å; A230-L273 HydrophobicContact CB-CG 3.72Å |
| 231 | V | 98.4 | Very high | 93.4 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 5% | 0.048 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146.9 | 170.7 | -64.7 | 0 | 0 | 0 | 0 | 108.8 | C186 D188 I199 V207 V228 I241 T242 | C186-V231 HydrophobicContact CB-CG2 4.07Å; D188-V231 HydrophobicContact CB-CG2 4.48Å; I199-V231 HydrophobicContact CD1-CB 4.1Å; I199-V231 HydrophobicContact CD1-CG1 4.41Å; I199-V231 HydrophobicContact CG1-CB 4.07Å; I199-V231 HydrophobicContact CG1-CG1 4.3Å; I199-V231 HydrophobicContact CG1-CG2 4.24Å; I199-V231 HydrophobicContact CG2-CB 4.19Å; I199-V231 HydrophobicContact CG2-CG2 3.85Å; V207-V231 HydrophobicContact CG1-CG1 4.04Å; V207-V231 HydrophobicContact CG2-CG1 3.97Å; V228-V231 HydrophobicContact CG1-CG1 3.98Å; V231-I241 CarbonylContact C-O 3.5Å; V231-I241 WeakPolarHBondContact CA-O 3.3Å; V231-T242 HydrophobicContact CG1-CG2 4.21Å |
| 232 | C | 95.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 128.9 | 175.9 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | D188 I240 I241 L273 | D188-C232 WeakPolarHBondContact OD2-CA 3.4Å; C232-I240 WeakPolarHBondContact O-CA 3.33Å; C232-I241 PolarHBondContact N-O 2.84Å; C232-I241 PolarHBondContact O-N 2.79Å; C232-L273 HydrophobicContact CB-CB 4.46Å |
| 233 | F | 94.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 2% | 0.022 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 120.1 | 157.9 | -80.2 | -67.2 | 0 | 0 | 0 | 107.6 | D188 Y190 H191 I199 I209 I240 | D188-F233 PolarHBondContact OD2-N 2.78Å; Y190-F233 VanDerWaalsContact CA-CD2 3.5Å; Y190-F233 HydrophobicContact CD2-CB 4.4Å; Y190-F233 AromaticContact CD2-CD1 3.81Å; Y190-F233 HydrophobicContact CD2-CD1 3.81Å; Y190-F233 HydrophobicContact CD2-CE1 4.13Å; Y190-F233 HydrophobicContact CD2-CG 4.02Å; H191-F233 PolarHBondContact CD2-O 2.87Å; I199-F233 HydrophobicContact CB-CD2 3.99Å; I199-F233 HydrophobicContact CB-CE2 3.43Å; I199-F233 VanDerWaalsContact CB-CE2 3.43Å; I199-F233 HydrophobicContact CB-CZ 3.88Å; I199-F233 HydrophobicContact CD1-CZ 4.5Å; I199-F233 HydrophobicContact CG2-CD2 3.44Å; I199-F233 VanDerWaalsContact CG2-CD2 3.44Å; I199-F233 HydrophobicContact CG2-CE2 3.44Å; I199-F233 VanDerWaalsContact CG2-CE2 3.44Å; I199-F233 HydrophobicContact CG2-CG 4.3Å; I199-F233 HydrophobicContact CG2-CZ 4.26Å; I209-F233 HydrophobicContact CD1-CE1 3.84Å; I209-F233 HydrophobicContact CD1-CZ 3.53Å; I209-F233 HydrophobicContact CG2-CZ 4.41Å; F233-I240 HydrophobicContact CD1-CD1 4.41Å; F233-I240 HydrophobicContact CD1-CG1 3.6Å; F233-I240 HydrophobicContact CE1-CD1 3.88Å; F233-I240 HydrophobicContact CE1-CG1 3.57Å |
| 234 | H | 91.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 17.4 Ų | 17.4 | 2% | 0.023 | 10% | 0.097 | C | C | . | . | trans | -63.1 | 130.4 | 175.9 | -165.7 | -75.9 | 0 | 0 | 0 | 108.9 | D236 F237 I239 H279 | H234-D236 PolarHBondContact ND1-N 2.84Å; H234-D236 PolarHBondContact O-N 2.9Å; H234-F237 HydrophobicContact CB-CB 4.08Å; H234-F237 AromaticContact CD2-CD2 3.78Å; H234-F237 AromaticContact CE1-CD2 3.12Å; H234-F237 WeakPolarHBondContact CE1-CD2 3.34Å; H234-F237 AromaticContact CE1-CE2 3.58Å; H234-F237 AromaticContact CE1-CG 3.98Å; H234-F237 AromaticContact CG-CD2 3.69Å; H234-F237 AromaticContact ND1-CD2 3.26Å; H234-F237 VanDerWaalsContact ND1-CD2 3.26Å; H234-F237 WeakPolarHBondContact ND1-CD2 3.3Å; H234-F237 AromaticContact ND1-CG 3.72Å; H234-F237 PolarHBondContact ND1-N 2.9Å; H234-F237 VanDerWaalsContact ND1-N 3.12Å; H234-F237 AromaticContact NE2-CD2 3.43Å; H234-F237 WeakPolarHBondContact NE2-CD2 3.45Å; H234-F237 AromaticContact NE2-CE2 3.81Å; H234-I239 HydrophobicContact CB-CD1 4.2Å; H234-I239 HydrophobicContact CB-CG1 3.64Å; H234-I239 PolarHBondContact N-O 2.75Å; H234-I239 VanDerWaalsContact N-O 3.13Å; H234-H279 PolarHBondContact CE1-O 2.86Å | ||
| 235 | P | 85.8 | Confident | 93.8 | Very high | 12 Ų | 12 | 18.1 Ų | 18.1 | 8% | 0.078 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -64.7 | -28.8 | -171.2 | 21 | -32.6 | 0 | 0 | 0 | 113.7 | H191 A275 K277 | H191-P235 HydrophobicContact CB-CB 4.17Å; P235-A275 HydrophobicContact CG-CB 4.4Å; P235-K277 HydrophobicContact CB-CB 3.9Å; P235-K277 HydrophobicContact CB-CG 4.08Å; P235-K277 HydrophobicContact CG-CB 4.1Å |
| 236 | D | 78.1 | Confident | 93.8 | Very high | 23 Ų | 23 | 14.8 Ų | 14.8 | 12% | 0.123 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -119.5 | -22.4 | -174.6 | -61.4 | -62.1 | 0 | 0 | 0 | 115.2 | H234 G278 N315 | H234-D236 PolarHBondContact ND1-N 2.84Å; H234-D236 PolarHBondContact O-N 2.9Å; D236-G278 WeakPolarHBondContact OD2-CA 3.41Å; D236-G278 PolarHBondContact OD2-N 3.08Å; D236-N315 WeakPolarHBondContact O-CB 3.46Å; D236-N315 VanDerWaalsContact O-CG 3.24Å; D236-N315 PolarHBondContact O-OD1 3.35Å; D236-N315 PolarHBondContact OD1-ND2 3.1Å |
| 237 | F | 78.8 | Confident | 93.7 | Very high | 20 Ų | 20 | 12.5 Ų | 12.5 | 9% | 0.088 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -101 | 143.1 | -178.6 | -67.7 | -57.2 | 0 | 0 | 0 | 108.3 | H234 I239 N280 L295 Y351 | H234-F237 HydrophobicContact CB-CB 4.08Å; H234-F237 AromaticContact CD2-CD2 3.78Å; H234-F237 AromaticContact CE1-CD2 3.12Å; H234-F237 WeakPolarHBondContact CE1-CD2 3.34Å; H234-F237 AromaticContact CE1-CE2 3.58Å; H234-F237 AromaticContact CE1-CG 3.98Å; H234-F237 AromaticContact CG-CD2 3.69Å; H234-F237 AromaticContact ND1-CD2 3.26Å; H234-F237 VanDerWaalsContact ND1-CD2 3.26Å; H234-F237 WeakPolarHBondContact ND1-CD2 3.3Å; H234-F237 AromaticContact ND1-CG 3.72Å; H234-F237 PolarHBondContact ND1-N 2.9Å; H234-F237 VanDerWaalsContact ND1-N 3.12Å; H234-F237 AromaticContact NE2-CD2 3.43Å; H234-F237 WeakPolarHBondContact NE2-CD2 3.45Å; H234-F237 AromaticContact NE2-CE2 3.81Å; F237-I239 HydrophobicContact CB-CD1 4Å; F237-I239 HydrophobicContact CB-CG1 3.69Å; F237-I239 HydrophobicContact CD2-CD1 4.5Å; F237-I239 PolarHBondContact O-N 3.4Å; F237-N280 HydrophobicContact CE2-CB 3.46Å; F237-N280 VanDerWaalsContact CE2-CB 3.46Å; F237-N280 HydrophobicContact CZ-CB 3.42Å; F237-N280 VanDerWaalsContact CZ-CB 3.42Å; F237-L295 HydrophobicContact CD2-CB 4.06Å; F237-L295 HydrophobicContact CD2-CD1 4.17Å; F237-L295 HydrophobicContact CE2-CB 3.63Å; F237-L295 HydrophobicContact CE2-CD1 4.44Å; F237-L295 HydrophobicContact CZ-CB 4.33Å; F237-L295 VanDerWaalsContact CZ-O 3.27Å; F237-L295 WeakPolarHBondContact CZ-O 3.19Å; F237-Y351 AromaticContact CD1-CE1 3.72Å; F237-Y351 HydrophobicContact CD1-CE1 3.72Å; F237-Y351 AromaticContact CD1-CE2 3.76Å; F237-Y351 HydrophobicContact CD1-CE2 3.76Å; F237-Y351 AromaticContact CD1-CZ 3.29Å; F237-Y351 WeakPolarHBondContact CD1-OH 3.46Å; F237-Y351 AromaticContact CE1-CE1 3.73Å; F237-Y351 HydrophobicContact CE1-CE1 3.73Å; F237-Y351 HydrophobicContact CE1-CE2 4.38Å; F237-Y351 AromaticContact CE1-CZ 3.48Å; F237-Y351 VanDerWaalsContact CE1-CZ 3.48Å; F237-Y351 WeakPolarHBondContact CE1-OH 3.45Å |
| 238 | P | 80.9 | Confident | 93.7 | Very high | 17 Ų | 17 | 11.4 Ų | 11.4 | 11% | 0.11 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -78 | 53.2 | 179.3 | 34.4 | -37 | 0 | 0 | 0 | 110.5 | G254 M316 Y351 | P238-G254 WeakPolarHBondContact O-CA 3.49Å; P238-G254 PolarHBondContact O-N 2.97Å; P238-M316 HydrophobicContact CB-CE 4.11Å; P238-M316 HydrophobicContact CB-SD 3.98Å; P238-M316 HydrophobicContact CG-SD 4.23Å; P238-Y351 HydrophobicContact CG-CD2 3.66Å; P238-Y351 HydrophobicContact CG-CG 4.08Å |
| 239 | I | 89.4 | Confident | 93.7 | Very high | 3 Ų | 3 | 11.4 Ų | 11.4 | 2% | 0.015 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 160.3 | -179 | 62.5 | 173.5 | 0 | 0 | 0 | 110.9 | M1 H234 F237 I241 I251 W252 L295 | M1-I239 HydrophobicContact CE-CD1 4.08Å; M1-I239 HydrophobicContact CE-CG2 3.58Å; M1-I239 HydrophobicContact SD-CD1 4.07Å; H234-I239 HydrophobicContact CB-CD1 4.2Å; H234-I239 HydrophobicContact CB-CG1 3.64Å; H234-I239 PolarHBondContact N-O 2.75Å; H234-I239 VanDerWaalsContact N-O 3.13Å; F237-I239 HydrophobicContact CB-CD1 4Å; F237-I239 HydrophobicContact CB-CG1 3.69Å; F237-I239 HydrophobicContact CD2-CD1 4.5Å; F237-I239 PolarHBondContact O-N 3.4Å; I239-I241 HydrophobicContact CD1-CD1 4.27Å; I239-I241 HydrophobicContact CD1-CG1 4.22Å; I239-I251 HydrophobicContact CB-CG2 4Å; I239-I251 HydrophobicContact CD1-CG2 3.93Å; I239-I251 HydrophobicContact CG1-CG2 4.5Å; I239-I251 HydrophobicContact CG2-CG2 4.07Å; I239-W252 CarbonylContact C-O 3.5Å; I239-W252 WeakPolarHBondContact CA-O 3.4Å; I239-W252 WeakPolarHBondContact CB-O 3.38Å; I239-L295 HydrophobicContact CD1-CD1 3.64Å |
| 240 | I | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140.2 | 171 | -62.7 | 152.5 | 0 | 0 | 0 | 107.1 | I199 I209 L221 C232 F233 T242 I251 W252 Y257 | I199-I240 HydrophobicContact CD1-CB 4.45Å; I199-I240 HydrophobicContact CD1-CG1 4.39Å; I199-I240 HydrophobicContact CD1-CG2 3.26Å; I209-I240 HydrophobicContact CD1-CD1 3.63Å; L221-I240 HydrophobicContact CD2-CD1 4.21Å; C232-I240 WeakPolarHBondContact O-CA 3.33Å; F233-I240 HydrophobicContact CD1-CD1 4.41Å; F233-I240 HydrophobicContact CD1-CG1 3.6Å; F233-I240 HydrophobicContact CE1-CD1 3.88Å; F233-I240 HydrophobicContact CE1-CG1 3.57Å; I240-T242 HydrophobicContact CG2-CG2 3.9Å; I240-I251 WeakPolarHBondContact O-CA 3.44Å; I240-W252 HydrophobicContact CB-CB 4.19Å; I240-W252 PolarHBondContact N-O 3.47Å; I240-W252 PolarHBondContact O-N 3.24Å; I240-Y257 HydrophobicContact CD1-CD1 3.89Å; I240-Y257 HydrophobicContact CD1-CE1 4.12Å |
| 241 | I | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129 | 176.2 | -48.6 | 177.5 | 0 | 0 | 0 | 108 | V231 C232 I239 V249 R250 L273 V282 L295 | V231-I241 CarbonylContact C-O 3.5Å; V231-I241 WeakPolarHBondContact CA-O 3.3Å; C232-I241 PolarHBondContact N-O 2.84Å; C232-I241 PolarHBondContact O-N 2.79Å; I239-I241 HydrophobicContact CD1-CD1 4.27Å; I239-I241 HydrophobicContact CD1-CG1 4.22Å; I241-V249 HydrophobicContact CG2-CG1 3.5Å; I241-R250 WeakPolarHBondContact CA-O 3.37Å; I241-L273 HydrophobicContact CB-CD1 4.23Å; I241-L273 HydrophobicContact CG2-CD1 3.74Å; I241-L273 HydrophobicContact CG2-CD2 4.13Å; I241-V282 HydrophobicContact CD1-CB 4.38Å; I241-V282 HydrophobicContact CD1-CG1 3.96Å; I241-V282 HydrophobicContact CD1-CG2 3.71Å; I241-L295 HydrophobicContact CD1-CD1 3.89Å |
| 242 | T | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.8 | 179.8 | 66.4 | 0 | 0 | 0 | 0 | 109.8 | V207 H224 A230 V231 I240 V249 R250 W252 | V207-T242 HydrophobicContact CB-CG2 4.47Å; V207-T242 HydrophobicContact CG1-CG2 4.15Å; V207-T242 HydrophobicContact CG2-CG2 3.87Å; H224-T242 PolarHBondContact NE2-OG1 3.06Å; A230-T242 CarbonylContact O-C 3.57Å; A230-T242 WeakPolarHBondContact O-CA 3.41Å; V231-T242 HydrophobicContact CG1-CG2 4.21Å; I240-T242 HydrophobicContact CG2-CG2 3.9Å; T242-V249 CarbonylContact O-C 3.57Å; T242-V249 VanDerWaalsContact O-CA 3.25Å; T242-V249 WeakPolarHBondContact O-CA 3.41Å; T242-R250 PolarHBondContact N-O 3.3Å; T242-R250 PolarHBondContact O-N 3.18Å; T242-W252 PolarHBondContact OG1-NE1 2.7Å |
| 243 | G | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V228 S229 A230 | V228-G243 WeakPolarHBondContact CG1-O 3.49Å; S229-G243 PolarHBondContact N-O 2.88Å; S229-G243 PolarHBondContact OG-O 2.91Å; A230-G243 PolarHBondContact N-O 2.94Å; A230-G243 PolarHBondContact O-N 3.43Å |
| 244 | S | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 159.9 | -175.9 | 175.9 | 0 | 0 | 0 | 0 | 112.9 | H224 Q226 N227 D246 N247 T248 V270 | H224-S244 VanDerWaalsContact CE1-CB 3.44Å; H224-S244 WeakPolarHBondContact CE1-CB 3.32Å; H224-S244 WeakPolarHBondContact ND1-CB 3.49Å; Q226-S244 PolarHBondContact O-OG 2.71Å; N227-S244 VanDerWaalsContact O-CA 3.27Å; N227-S244 WeakPolarHBondContact O-CA 3.41Å; N227-S244 VanDerWaalsContact O-CB 3.32Å; N227-S244 WeakPolarHBondContact O-CB 3.21Å; N227-S244 PolarHBondContact O-OG 3.36Å; S244-D246 VanDerWaalsContact CB-OD1 3.29Å; S244-D246 WeakPolarHBondContact CB-OD1 3.39Å; S244-D246 PolarHBondContact O-N 2.71Å; S244-D246 PolarHBondContact OG-N 3.16Å; S244-D246 VanDerWaalsContact OG-N 3.13Å; S244-D246 PolarHBondContact OG-OD1 2.93Å; S244-N247 PolarHBondContact O-N 3.06Å; S244-T248 PolarHBondContact N-O 3.25Å; S244-V270 WeakPolarHBondContact O-CB 3.19Å; S244-V270 PolarHBondContact O-N 3.43Å; S244-V270 VanDerWaalsContact O-N 3.11Å |
| 245 | E | 98.4 | Very high | 91.9 | Very high | 28 Ų | 28 | 16.4 Ų | 16.4 | 13% | 0.131 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -0.6 | 166.6 | -60.8 | -169.5 | -124.1 | 0 | 0 | 113 | Q226 N227 N247 R269 | Q226-E245 HydrophobicContact CB-CB 3.93Å; Q226-E245 VanDerWaalsContact CD-O 3.26Å; Q226-E245 PolarHBondContact OE1-O 3.24Å; N227-E245 HydrophobicContact CB-CG 4.29Å; N227-E245 WeakPolarHBondContact CB-OE1 3.46Å; N227-E245 PolarHBondContact ND2-OE1 3.12Å; N227-E245 PolarHBondContact O-N 3.1Å; E245-N247 PolarHBondContact O-N 3.42Å; E245-N247 PolarHBondContact O-OD1 3.38Å; E245-R269 HydrophobicContact CB-CB 4.44Å; E245-R269 HydrophobicContact CB-CG 4.01Å; E245-R269 HydrophobicContact CG-CB 4.48Å; E245-R269 HydrophobicContact CG-CG 4.43Å; E245-R269 WeakPolarHBondContact O-CG 3.43Å; E245-R269 WeakPolarHBondContact OE2-CD 3.2Å; E245-R269 IonicContact OE2-NH1 2.71Å; E245-R269 PolarHBondContact OE2-NH1 2.77Å |
| 246 | D | 97.8 | Very high | 91.8 | Very high | 25 Ų | 25 | 19.4 Ų | 19.4 | 13% | 0.134 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 12 | 168.9 | 71.1 | 12.2 | 0 | 0 | 0 | 113.9 | H224 V225 Q226 S244 T248 | H224-D246 VanDerWaalsContact CA-OD2 3.26Å; H224-D246 WeakPolarHBondContact CA-OD2 3.29Å; H224-D246 IonicContact CE1-OD1 3.87Å; H224-D246 IonicContact CE1-OD2 3.43Å; H224-D246 IonicContact CG-OD2 3.84Å; H224-D246 IonicContact ND1-OD1 2.67Å; H224-D246 PolarHBondContact ND1-OD1 3.18Å; H224-D246 IonicContact ND1-OD2 3.64Å; H224-D246 PolarHBondContact ND1-OD2 3.48Å; V225-D246 HydrophobicContact CB-CB 4.18Å; V225-D246 PolarHBondContact N-OD2 3.07Å; Q226-D246 HydrophobicContact CB-CB 4.09Å; Q226-D246 HydrophobicContact CG-CB 4.07Å; S244-D246 VanDerWaalsContact CB-OD1 3.29Å; S244-D246 WeakPolarHBondContact CB-OD1 3.39Å; S244-D246 PolarHBondContact O-N 2.71Å; S244-D246 PolarHBondContact OG-N 3.16Å; S244-D246 VanDerWaalsContact OG-N 3.13Å; S244-D246 PolarHBondContact OG-OD1 2.93Å; D246-T248 PolarHBondContact O-N 2.91Å; D246-T248 VanDerWaalsContact OD1-CB 3.3Å; D246-T248 WeakPolarHBondContact OD1-CB 3.4Å; D246-T248 PolarHBondContact OD1-N 2.94Å; D246-T248 PolarHBondContact OD1-OG1 3.07Å |
| 247 | N | 97.5 | Very high | 92.4 | Very high | 42 Ų | 42 | 20.5 Ų | 20.5 | 23% | 0.225 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 71.2 | 8.7 | 178.3 | -52.6 | -8 | 0 | 0 | 0 | 114.1 | S244 E245 D268 R269 | S244-N247 PolarHBondContact O-N 3.06Å; E245-N247 PolarHBondContact O-N 3.42Å; E245-N247 PolarHBondContact O-OD1 3.38Å; N247-D268 WeakPolarHBondContact CA-O 2.92Å; N247-D268 WeakPolarHBondContact CB-O 3.45Å; N247-D268 VanDerWaalsContact CG-OD1 3.25Å; N247-D268 PolarHBondContact ND2-OD1 2.88Å; N247-D268 PolarHBondContact OD1-O 3.35Å; N247-D268 PolarHBondContact OD1-OD1 3.45Å; N247-R269 WeakPolarHBondContact OD1-CA 3.46Å; N247-R269 PolarHBondContact OD1-N 2.9Å; N247-R269 VanDerWaalsContact OD1-N 3.1Å |
| 248 | T | 97.7 | Very high | 92.9 | Very high | 18 Ų | 18 | 28.7 Ų | 28.7 | 11% | 0.11 | 14% | 0.137 | C | C | . | . | trans | -108.7 | 146.2 | -177.8 | 74.9 | 0 | 0 | 0 | 0 | 113.3 | H224 S244 D246 T262 L263 | H224-T248 PolarHBondContact CE1-OG1 2.92Å; H224-T248 VanDerWaalsContact CE1-OG1 3.26Å; H224-T248 PolarHBondContact ND1-OG1 2.95Å; S244-T248 PolarHBondContact N-O 3.25Å; D246-T248 PolarHBondContact O-N 2.91Å; D246-T248 VanDerWaalsContact OD1-CB 3.3Å; D246-T248 WeakPolarHBondContact OD1-CB 3.4Å; D246-T248 PolarHBondContact OD1-N 2.94Å; D246-T248 PolarHBondContact OD1-OG1 3.07Å; T248-T262 HydrophobicContact CG2-CG2 3.86Å; T248-L263 WeakPolarHBondContact CA-O 3.25Å | ||
| 249 | V | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124 | 162.7 | 177.4 | 0 | 0 | 0 | 0 | 107.9 | I241 T242 L263 V270 L273 I284 | I241-V249 HydrophobicContact CG2-CG1 3.5Å; T242-V249 CarbonylContact O-C 3.57Å; T242-V249 VanDerWaalsContact O-CA 3.25Å; T242-V249 WeakPolarHBondContact O-CA 3.41Å; V249-L263 HydrophobicContact CB-CB 4.3Å; V249-L263 PolarHBondContact N-O 2.98Å; V249-L263 PolarHBondContact O-N 3.46Å; V249-V270 HydrophobicContact CG2-CG1 4.16Å; V249-V270 HydrophobicContact CG2-CG2 3.61Å; V249-L273 HydrophobicContact CG1-CD2 4.33Å; V249-L273 HydrophobicContact CG2-CD2 4.49Å; V249-I284 HydrophobicContact CG1-CD1 4.47Å; V249-I284 HydrophobicContact CG2-CD1 4.25Å; V249-I284 HydrophobicContact CG2-CG2 4.05Å |
| 250 | R | 97.1 | Very high | 93.2 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 13% | 0.125 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.2 | -179.5 | -68.9 | -176.9 | -179.7 | -152.9 | 1 | 110.7 | G223 I241 T242 W252 L259 T261 T262 | G223-R250 VanDerWaalsContact CA-NH1 3.27Å; G223-R250 PolarHBondContact O-NH1 3.07Å; G223-R250 VanDerWaalsContact O-NH1 3.16Å; G223-R250 PolarHBondContact O-NH2 2.86Å; I241-R250 WeakPolarHBondContact CA-O 3.37Å; T242-R250 PolarHBondContact N-O 3.3Å; T242-R250 PolarHBondContact O-N 3.18Å; R250-W252 HydrophobicContact CB-CZ2 3.98Å; R250-W252 HydrophobicContact CG-CZ2 4.43Å; R250-L259 HydrophobicContact CB-CD1 3.65Å; R250-L259 HydrophobicContact CG-CD1 3.86Å; R250-T261 WeakPolarHBondContact CA-O 3.45Å; R250-T262 HydrophobicContact CG-CG2 4.1Å |
| 251 | I | 94.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124 | 174 | -58.5 | 178.5 | 0 | 0 | 0 | 107.5 | V3 I239 I240 E260 T261 L263 L295 | V3-I251 HydrophobicContact CG2-CD1 4.34Å; I239-I251 HydrophobicContact CB-CG2 4Å; I239-I251 HydrophobicContact CD1-CG2 3.93Å; I239-I251 HydrophobicContact CG1-CG2 4.5Å; I239-I251 HydrophobicContact CG2-CG2 4.07Å; I240-I251 WeakPolarHBondContact O-CA 3.44Å; I251-E260 PolarHBondContact O-N 2.86Å; I251-T261 PolarHBondContact N-O 2.97Å; I251-T261 PolarHBondContact O-N 3.46Å; I251-L263 HydrophobicContact CD1-CD1 4.05Å; I251-L295 HydrophobicContact CD1-CD2 3.99Å |
| 252 | W | 93.9 | Very high | 92.7 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 3% | 0.034 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 147.8 | -179 | -44.3 | 77.2 | 0 | 0 | 0 | 109.6 | L221 E222 I239 I240 T242 R250 G254 R258 L259 | L221-W252 HydrophobicContact CB-CD2 4.46Å; L221-W252 HydrophobicContact CB-CE3 4.24Å; L221-W252 HydrophobicContact CB-CH2 4.2Å; L221-W252 HydrophobicContact CB-CZ2 4.39Å; L221-W252 HydrophobicContact CB-CZ3 4.1Å; L221-W252 HydrophobicContact CD2-CB 4.01Å; L221-W252 HydrophobicContact CD2-CD2 3.65Å; L221-W252 HydrophobicContact CD2-CE3 3.9Å; L221-W252 HydrophobicContact CD2-CG 3.68Å; L221-W252 HydrophobicContact CG-CD2 4.5Å; L221-W252 HydrophobicContact CG-CE3 4.32Å; E222-W252 VanDerWaalsContact O-CH2 3.32Å; E222-W252 WeakPolarHBondContact O-CH2 3.44Å; I239-W252 CarbonylContact C-O 3.5Å; I239-W252 WeakPolarHBondContact CA-O 3.4Å; I239-W252 WeakPolarHBondContact CB-O 3.38Å; I240-W252 HydrophobicContact CB-CB 4.19Å; I240-W252 PolarHBondContact N-O 3.47Å; I240-W252 PolarHBondContact O-N 3.24Å; T242-W252 PolarHBondContact OG1-NE1 2.7Å; R250-W252 HydrophobicContact CB-CZ2 3.98Å; R250-W252 HydrophobicContact CG-CZ2 4.43Å; W252-G254 PolarHBondContact O-N 3.18Å; W252-R258 CarbonylContact C-O 3.52Å; W252-R258 VanDerWaalsContact CA-O 3.31Å; W252-R258 WeakPolarHBondContact CA-O 3.2Å; W252-L259 HydrophobicContact CD2-CB 4.43Å; W252-L259 HydrophobicContact CD2-CD1 3.99Å; W252-L259 HydrophobicContact CE3-CB 3.74Å; W252-L259 HydrophobicContact CE3-CD1 4.12Å; W252-L259 HydrophobicContact CH2-CB 4.32Å; W252-L259 HydrophobicContact CH2-CD1 4.2Å; W252-L259 HydrophobicContact CZ2-CD1 4.1Å; W252-L259 HydrophobicContact CZ3-CB 3.68Å; W252-L259 HydrophobicContact CZ3-CD1 4.23Å; W252-L259 HydrophobicContact CZ3-CG 4.45Å |
| 253 | H | 85.9 | Confident | 92.4 | Very high | 37 Ų | 37 | 41.3 Ų | 41.3 | 17% | 0.171 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 127.2 | 173.5 | -168.4 | -54.9 | 0 | 0 | 0 | 109.8 | N255 T256 Y257 R258 E260 | H253-N255 VanDerWaalsContact C-N 3.34Å; H253-N255 PolarHBondContact ND1-N 2.8Å; H253-N255 VanDerWaalsContact ND1-N 3.18Å; H253-N255 PolarHBondContact O-N 3.34Å; H253-T256 VanDerWaalsContact CB-OG1 3.27Å; H253-T256 WeakPolarHBondContact CB-OG1 3.33Å; H253-T256 PolarHBondContact ND1-N 3.36Å; H253-Y257 WeakPolarHBondContact O-CA 3.43Å; H253-Y257 PolarHBondContact O-N 3.46Å; H253-R258 PolarHBondContact N-O 3.13Å; H253-E260 HydrophobicContact CB-CG 4.07Å; H253-E260 VanDerWaalsContact CB-OE1 3.3Å; H253-E260 WeakPolarHBondContact CB-OE1 3.43Å; H253-E260 IonicContact CD2-OE1 2.73Å; H253-E260 PolarHBondContact CD2-OE1 3Å; H253-E260 IonicContact CG-OE1 3.69Å |
| 254 | G | 85.7 | Confident | 92.2 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -25.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | P238 W252 Y257 | P238-G254 WeakPolarHBondContact O-CA 3.49Å; P238-G254 PolarHBondContact O-N 2.97Å; W252-G254 PolarHBondContact O-N 3.18Å; G254-Y257 WeakPolarHBondContact O-CE1 3.36Å |
| 255 | N | 82 | Confident | 91.9 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 34% | 0.342 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -46.4 | 175 | -62.5 | -27.5 | 0 | 0 | 0 | 114 | K195 H253 | K195-N255 PolarHBondContact NZ-OD1 2.93Å; H253-N255 VanDerWaalsContact C-N 3.34Å; H253-N255 PolarHBondContact ND1-N 2.8Å; H253-N255 VanDerWaalsContact ND1-N 3.18Å; H253-N255 PolarHBondContact O-N 3.34Å |
| 256 | T | 83.9 | Confident | 91.6 | Very high | 75 Ų | 75 | 49.9 Ų | 49.9 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -12.6 | -173.6 | 68.2 | 0 | 0 | 0 | 0 | 113.1 | H253 R258 | H253-T256 VanDerWaalsContact CB-OG1 3.27Å; H253-T256 WeakPolarHBondContact CB-OG1 3.33Å; H253-T256 PolarHBondContact ND1-N 3.36Å; T256-R258 PolarHBondContact O-N 2.76Å; T256-R258 VanDerWaalsContact O-N 3.08Å |
| 257 | Y | 91.2 | Very high | 91.4 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 18% | 0.184 | 25% | 0.254 | C | S | . | . | trans | 56.9 | 17.5 | -176.9 | -49 | -61.8 | 0 | 0 | 0 | 114.5 | Y197 I209 V218 A219 L221 I240 H253 G254 | Y197-Y257 WeakPolarHBondContact CE2-OH 3.49Å; I209-Y257 HydrophobicContact CD1-CD1 4.18Å; I209-Y257 HydrophobicContact CD1-CE1 3.73Å; I209-Y257 HydrophobicContact CG1-CD1 4.1Å; I209-Y257 HydrophobicContact CG1-CE1 3.74Å; I209-Y257 HydrophobicContact CG2-CE1 4.49Å; V218-Y257 HydrophobicContact CG1-CE2 4.34Å; A219-Y257 HydrophobicContact CB-CD1 4.39Å; A219-Y257 HydrophobicContact CB-CD2 3.51Å; A219-Y257 HydrophobicContact CB-CE2 3.68Å; A219-Y257 HydrophobicContact CB-CG 3.88Å; L221-Y257 HydrophobicContact CD1-CD1 4.48Å; I240-Y257 HydrophobicContact CD1-CD1 3.89Å; I240-Y257 HydrophobicContact CD1-CE1 4.12Å; H253-Y257 WeakPolarHBondContact O-CA 3.43Å; H253-Y257 PolarHBondContact O-N 3.46Å; G254-Y257 WeakPolarHBondContact O-CE1 3.36Å | ||
| 258 | R | 88.7 | Confident | 91.4 | Very high | 191 Ų | 191 | 50 Ų | 50 | 72% | 0.721 | 26% | 0.261 | S | S | * | . | trans | -79.1 | 142.5 | 174.9 | -68.2 | -177.1 | 176.4 | 173.9 | -0.2 | 110.2 | W252 H253 T256 E260 | W252-R258 CarbonylContact C-O 3.52Å; W252-R258 VanDerWaalsContact CA-O 3.31Å; W252-R258 WeakPolarHBondContact CA-O 3.2Å; H253-R258 PolarHBondContact N-O 3.13Å; T256-R258 PolarHBondContact O-N 2.76Å; T256-R258 VanDerWaalsContact O-N 3.08Å; R258-E260 PolarHBondContact O-N 2.9Å | ||
| 259 | L | 90.6 | Very high | 91.4 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 119.5 | 171.4 | -178.7 | 61.9 | 0 | 0 | 0 | 109.2 | R250 W252 | R250-L259 HydrophobicContact CB-CD1 3.65Å; R250-L259 HydrophobicContact CG-CD1 3.86Å; W252-L259 HydrophobicContact CD2-CB 4.43Å; W252-L259 HydrophobicContact CD2-CD1 3.99Å; W252-L259 HydrophobicContact CE3-CB 3.74Å; W252-L259 HydrophobicContact CE3-CD1 4.12Å; W252-L259 HydrophobicContact CH2-CB 4.32Å; W252-L259 HydrophobicContact CH2-CD1 4.2Å; W252-L259 HydrophobicContact CZ2-CD1 4.1Å; W252-L259 HydrophobicContact CZ3-CB 3.68Å; W252-L259 HydrophobicContact CZ3-CD1 4.23Å; W252-L259 HydrophobicContact CZ3-CG 4.45Å |
| 260 | E | 85.8 | Confident | 91.5 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -45.2 | 177.1 | -64.5 | -167.5 | 170.5 | 0 | 0 | 111.6 | I251 H253 R258 | I251-E260 PolarHBondContact O-N 2.86Å; H253-E260 HydrophobicContact CB-CG 4.07Å; H253-E260 VanDerWaalsContact CB-OE1 3.3Å; H253-E260 WeakPolarHBondContact CB-OE1 3.43Å; H253-E260 IonicContact CD2-OE1 2.73Å; H253-E260 PolarHBondContact CD2-OE1 3Å; H253-E260 IonicContact CG-OE1 3.69Å; R258-E260 PolarHBondContact O-N 2.9Å |
| 261 | T | 88.8 | Confident | 91.5 | Very high | 56 Ų | 56 | 52.8 Ų | 52.8 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 144.6 | -173.8 | -62.7 | 0 | 0 | 0 | 0 | 110.4 | R250 I251 L263 | R250-T261 WeakPolarHBondContact CA-O 3.45Å; I251-T261 PolarHBondContact N-O 2.97Å; I251-T261 PolarHBondContact O-N 3.46Å; T261-L263 HydrophobicContact CG2-CD2 3.73Å; T261-L263 HydrophobicContact CG2-CG 4.28Å |
| 262 | T | 93 | Very high | 91.7 | Very high | 65 Ų | 65 | 53.9 Ų | 53.9 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.3 | 170.1 | -58.1 | 0 | 0 | 0 | 0 | 108.4 | T248 R250 | T248-T262 HydrophobicContact CG2-CG2 3.86Å; R250-T262 HydrophobicContact CG-CG2 4.1Å |
| 263 | L | 93.8 | Very high | 91.9 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 12% | 0.12 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.8 | 178.8 | -55.1 | 175.8 | 0 | 0 | 0 | 108.9 | V3 T248 V249 I251 T261 Y265 I293 | V3-L263 HydrophobicContact CG1-CD1 4.19Å; T248-L263 WeakPolarHBondContact CA-O 3.25Å; V249-L263 HydrophobicContact CB-CB 4.3Å; V249-L263 PolarHBondContact N-O 2.98Å; V249-L263 PolarHBondContact O-N 3.46Å; I251-L263 HydrophobicContact CD1-CD1 4.05Å; T261-L263 HydrophobicContact CG2-CD2 3.73Å; T261-L263 HydrophobicContact CG2-CG 4.28Å; L263-Y265 HydrophobicContact CB-CE2 4.14Å; L263-Y265 HydrophobicContact CD1-CE2 4.39Å; L263-I293 HydrophobicContact CD1-CD1 3.94Å |
| 264 | N | 93.3 | Very high | 92.4 | Very high | 95 Ų | 95 | 55.4 Ų | 55.4 | 51% | 0.508 | 28% | 0.282 | S | S | . | . | trans | -140.7 | 123.8 | 170.5 | -176.8 | -21.1 | 0 | 0 | 0 | 107.8 | G266 | N264-G266 PolarHBondContact OD1-N 2.91Š| ||
| 265 | Y | 91.8 | Very high | 92.7 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 25% | 0.247 | 28% | 0.281 | C | S | . | . | trans | -109.3 | 5.2 | -177.2 | -68.7 | -70.5 | 0 | 0 | 0 | 113.7 | L263 L267 Y286 I291 I293 | L263-Y265 HydrophobicContact CB-CE2 4.14Å; L263-Y265 HydrophobicContact CD1-CE2 4.39Å; Y265-L267 VanDerWaalsContact C-N 3.34Å; Y265-L267 PolarHBondContact O-N 3.26Å; Y265-Y286 WeakPolarHBondContact CD2-OH 3.43Å; Y265-I291 HydrophobicContact CD1-CD1 3.98Å; Y265-I291 HydrophobicContact CD2-CD1 3.55Å; Y265-I291 HydrophobicContact CE2-CD1 4.33Å; Y265-I291 HydrophobicContact CE2-CG2 4.42Å; Y265-I291 HydrophobicContact CG-CD1 3.34Å; Y265-I293 HydrophobicContact CE2-CG2 3.95Å; Y265-I293 WeakPolarHBondContact OH-CG2 3.05Å | ||
| 266 | G | 92.1 | Very high | 92.9 | Very high | 50 Ų | 50 | 53 Ų | 53 | 52% | 0.515 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 66.6 | 31.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N264 | N264-G266 PolarHBondContact OD1-N 2.91Š|
| 267 | L | 95.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -105 | 19.5 | 172.8 | -63.4 | 178.8 | 0 | 0 | 0 | 112.3 | L8 Y265 Y286 D287 E288 I291 | L8-L267 HydrophobicContact CD1-CD1 3.69Å; L8-L267 HydrophobicContact CD1-CD2 4.24Å; L8-L267 HydrophobicContact CD1-CG 4.33Å; Y265-L267 VanDerWaalsContact C-N 3.34Å; Y265-L267 PolarHBondContact O-N 3.26Å; L267-Y286 HydrophobicContact CB-CD1 3.73Å; L267-Y286 HydrophobicContact CB-CD2 4.11Å; L267-Y286 HydrophobicContact CB-CE1 4.42Å; L267-Y286 HydrophobicContact CB-CG 3.55Å; L267-Y286 HydrophobicContact CD1-CD2 3.62Å; L267-Y286 HydrophobicContact CD1-CE2 4.11Å; L267-Y286 HydrophobicContact CD1-CG 3.94Å; L267-Y286 HydrophobicContact CG-CG 4.42Å; L267-Y286 WeakPolarHBondContact O-CB 3.19Å; L267-D287 PolarHBondContact O-N 2.74Å; L267-E288 HydrophobicContact CB-CB 4.26Å; L267-E288 HydrophobicContact CD2-CB 3.93Å; L267-E288 PolarHBondContact O-N 3.28Å; L267-I291 HydrophobicContact CD1-CD1 3.59Å; L267-I291 HydrophobicContact CD1-CG1 3.72Å; L267-I291 HydrophobicContact CG-CD1 4.45Å |
| 268 | D | 96.9 | Very high | 92.2 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | trans | 62 | -142.9 | -175.7 | -156.5 | 11.8 | 0 | 0 | 0 | 112.3 | N247 Y286 D287 | N247-D268 WeakPolarHBondContact CA-O 2.92Å; N247-D268 WeakPolarHBondContact CB-O 3.45Å; N247-D268 VanDerWaalsContact CG-OD1 3.25Å; N247-D268 PolarHBondContact ND2-OD1 2.88Å; N247-D268 PolarHBondContact OD1-O 3.35Å; N247-D268 PolarHBondContact OD1-OD1 3.45Å; D268-Y286 WeakPolarHBondContact O-CD1 3.36Å; D268-D287 HydrophobicContact CB-CB 3.98Å | ||
| 269 | R | 98.2 | Very high | 91.7 | Very high | 62 Ų | 62 | 50.9 Ų | 50.9 | 23% | 0.234 | 28% | 0.276 | C | S | . | . | trans | -63.6 | 140.2 | -168.3 | -64.1 | -179.9 | -68.7 | -177.1 | -10.4 | 113.3 | E245 N247 W271 Y286 D287 | E245-R269 HydrophobicContact CB-CB 4.44Å; E245-R269 HydrophobicContact CB-CG 4.01Å; E245-R269 HydrophobicContact CG-CB 4.48Å; E245-R269 HydrophobicContact CG-CG 4.43Å; E245-R269 WeakPolarHBondContact O-CG 3.43Å; E245-R269 WeakPolarHBondContact OE2-CD 3.2Å; E245-R269 IonicContact OE2-NH1 2.71Å; E245-R269 PolarHBondContact OE2-NH1 2.77Å; N247-R269 WeakPolarHBondContact OD1-CA 3.46Å; N247-R269 PolarHBondContact OD1-N 2.9Å; N247-R269 VanDerWaalsContact OD1-N 3.1Å; R269-W271 HydrophobicContact CB-CZ2 4.47Å; R269-Y286 CarbonylContact O-C 3.2Å; R269-Y286 WeakPolarHBondContact O-CA 3.38Å; R269-D287 IonicContact CZ-OD2 3.4Å; R269-D287 VanDerWaalsContact CZ-OD2 3.22Å; R269-D287 IonicContact NE-OD2 2.9Å; R269-D287 PolarHBondContact NE-OD2 3.37Å; R269-D287 IonicContact NH2-OD1 3.61Å; R269-D287 IonicContact NH2-OD2 2.71Å; R269-D287 PolarHBondContact NH2-OD2 2.83Å; R269-D287 PolarHBondContact O-N 3.4Å | ||
| 270 | V | 98.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 138 | 170.6 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | S229 S244 V249 I284 Y286 | S229-V270 WeakPolarHBondContact CB-O 3.07Å; S229-V270 PolarHBondContact OG-O 3.41Å; S244-V270 WeakPolarHBondContact O-CB 3.19Å; S244-V270 PolarHBondContact O-N 3.43Å; S244-V270 VanDerWaalsContact O-N 3.11Å; V249-V270 HydrophobicContact CG2-CG1 4.16Å; V249-V270 HydrophobicContact CG2-CG2 3.61Å; V270-I284 HydrophobicContact CG1-CG2 3.85Å; V270-Y286 HydrophobicContact CB-CE1 4.44Å; V270-Y286 HydrophobicContact CG2-CD1 3.9Å; V270-Y286 HydrophobicContact CG2-CE1 3.42Å; V270-Y286 VanDerWaalsContact CG2-CE1 3.42Å |
| 271 | W | 98.3 | Very high | 91.5 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | -30.8 | 178.1 | -66.7 | 109.3 | 0 | 0 | 0 | 114.5 | V14 R269 G285 D287 | V14-W271 WeakPolarHBondContact O-CB 3.03Å; R269-W271 HydrophobicContact CB-CZ2 4.47Å; W271-G285 PolarHBondContact N-O 3.2Å; W271-D287 PolarHBondContact NE1-OD1 2.65Å |
| 272 | V | 98 | Very high | 91.7 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 147.5 | -169.8 | 64.2 | 0 | 0 | 0 | 0 | 111.1 | V17 I284 G285 | V17-V272 HydrophobicContact CB-CG1 4.33Å; V17-V272 HydrophobicContact CG1-CG1 3.92Å; V17-V272 HydrophobicContact CG2-CG1 3.85Å; V17-V272 HydrophobicContact CG2-CG2 4.14Å; V272-I284 WeakPolarHBondContact O-CA 3.19Å; V272-G285 PolarHBondContact O-N 3.45Å |
| 273 | L | 97.3 | Very high | 92 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 9% | 0.089 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 145.3 | 174 | -65.6 | 168.3 | 0 | 0 | 0 | 108.9 | A230 C232 I241 V249 A283 I284 | A230-L273 HydrophobicContact CB-CB 4.09Å; A230-L273 HydrophobicContact CB-CD1 3.8Å; A230-L273 HydrophobicContact CB-CG 3.72Å; C232-L273 HydrophobicContact CB-CB 4.46Å; I241-L273 HydrophobicContact CB-CD1 4.23Å; I241-L273 HydrophobicContact CG2-CD1 3.74Å; I241-L273 HydrophobicContact CG2-CD2 4.13Å; V249-L273 HydrophobicContact CG1-CD2 4.33Å; V249-L273 HydrophobicContact CG2-CD2 4.49Å; L273-A283 WeakPolarHBondContact CA-O 3.46Å; L273-I284 HydrophobicContact CD2-CB 4.14Å; L273-I284 HydrophobicContact CD2-CD1 4.36Å; L273-I284 HydrophobicContact CD2-CG1 3.71Å; L273-I284 HydrophobicContact CD2-CG2 3.75Å |
| 274 | Y | 96.9 | Very high | 92.2 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 123.5 | 169.1 | -173.4 | -96.6 | 0 | 0 | 0 | 110.6 | D18 L19 L276 V282 A283 | D18-Y274 VanDerWaalsContact OD1-CE2 3.24Å; D18-Y274 WeakPolarHBondContact OD1-CE2 3.34Å; D18-Y274 VanDerWaalsContact OD1-CZ 3.29Å; L19-Y274 HydrophobicContact CB-CD1 3.96Å; L19-Y274 HydrophobicContact CB-CE1 3.81Å; L19-Y274 HydrophobicContact CD1-CD1 4.05Å; L19-Y274 HydrophobicContact CD1-CE1 4.49Å; L19-Y274 HydrophobicContact CG-CD1 3.79Å; L19-Y274 HydrophobicContact CG-CE1 4.18Å; Y274-L276 HydrophobicContact CE1-CB 4.03Å; Y274-L276 HydrophobicContact CE1-CD1 4.21Å; Y274-V282 WeakPolarHBondContact O-CA 3.31Å; Y274-A283 PolarHBondContact N-O 3.38Å; Y274-A283 PolarHBondContact O-N 3.17Å |
| 275 | A | 93.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | P235 V282 | P235-A275 HydrophobicContact CG-CB 4.4Å; A275-V282 HydrophobicContact CB-CG2 4.01Å |
| 276 | L | 86 | Confident | 92.7 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 7% | 0.068 | 17% | 0.174 | C | C | . | . | trans | -87.1 | 131.3 | -179.3 | 178.6 | 65.8 | 0 | 0 | 0 | 110.3 | L19 P21 Y274 H279 | L19-L276 HydrophobicContact CB-CB 4.19Å; L19-L276 HydrophobicContact CB-CD2 4.12Å; L19-L276 HydrophobicContact CD1-CB 3.94Å; P21-L276 HydrophobicContact CB-CD1 4.45Å; Y274-L276 HydrophobicContact CE1-CB 4.03Å; Y274-L276 HydrophobicContact CE1-CD1 4.21Å; L276-H279 HydrophobicContact CB-CB 4.2Å; L276-H279 HydrophobicContact CD2-CB 4.27Å; L276-H279 VanDerWaalsContact CD2-ND1 3.33Å; L276-H279 WeakPolarHBondContact CD2-ND1 3.15Å; L276-H279 HydrophobicContact CG-CB 4.34Å; L276-H279 PolarHBondContact O-N 3.33Å; L276-H279 VanDerWaalsContact O-O 3.13Å | ||
| 277 | K | 83.8 | Confident | 93 | Very high | 140 Ų | 140 | 29.7 Ų | 29.7 | 61% | 0.609 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 140.9 | 175.3 | -174.8 | 172.6 | -177.9 | 176.1 | 0 | 111.6 | P235 H279 | P235-K277 HydrophobicContact CB-CB 3.9Å; P235-K277 HydrophobicContact CB-CG 4.08Å; P235-K277 HydrophobicContact CG-CB 4.1Å; K277-H279 PolarHBondContact O-N 2.9Å; K277-H279 PolarHBondContact O-ND1 2.98Å |
| 278 | G | 76.3 | Confident | 93.1 | Very high | 59 Ų | 59 | 33.7 Ų | 33.7 | 61% | 0.608 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | -1.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | D236 | D236-G278 WeakPolarHBondContact OD2-CA 3.41Å; D236-G278 PolarHBondContact OD2-N 3.08Å |
| 279 | H | 78.7 | Confident | 93.1 | Very high | 69 Ų | 69 | 30.5 Ų | 30.5 | 32% | 0.319 | 16% | 0.155 | S | C | . | . | trans | -123.9 | 150 | -177 | -65.9 | 74.8 | 0 | 0 | 0 | 109.9 | H234 L276 K277 T281 | H234-H279 PolarHBondContact CE1-O 2.86Å; L276-H279 HydrophobicContact CB-CB 4.2Å; L276-H279 HydrophobicContact CD2-CB 4.27Å; L276-H279 VanDerWaalsContact CD2-ND1 3.33Å; L276-H279 WeakPolarHBondContact CD2-ND1 3.15Å; L276-H279 HydrophobicContact CG-CB 4.34Å; L276-H279 PolarHBondContact O-N 3.33Å; L276-H279 VanDerWaalsContact O-O 3.13Å; K277-H279 PolarHBondContact O-N 2.9Å; K277-H279 PolarHBondContact O-ND1 2.98Å; H279-T281 PolarHBondContact O-N 2.64Å | ||
| 280 | N | 81.2 | Confident | 93.1 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 11% | 0.107 | 14% | 0.144 | C | C | . | . | trans | -94.3 | 21.5 | 173.5 | 63.4 | -8.2 | 0 | 0 | 0 | 113.2 | F237 K294 L295 | F237-N280 HydrophobicContact CE2-CB 3.46Å; F237-N280 VanDerWaalsContact CE2-CB 3.46Å; F237-N280 HydrophobicContact CZ-CB 3.42Å; F237-N280 VanDerWaalsContact CZ-CB 3.42Å; N280-K294 WeakPolarHBondContact ND2-CE 3.22Å; N280-K294 CarbonylContact O-C 3.51Å; N280-K294 WeakPolarHBondContact O-CA 3.12Å; N280-L295 WeakPolarHBondContact CB-O 3.34Å; N280-L295 PolarHBondContact ND2-O 2.99Å; N280-L295 PolarHBondContact O-N 2.91Å | ||
| 281 | T | 89.3 | Confident | 93 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 6% | 0.055 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131 | -171 | -60.9 | 0 | 0 | 0 | 0 | 109.3 | L19 H279 I292 I293 | L19-T281 HydrophobicContact CD1-CG2 4.08Å; H279-T281 PolarHBondContact O-N 2.64Å; T281-I292 HydrophobicContact CG2-CG2 3.13Å; T281-I293 WeakPolarHBondContact CA-O 3.16Å |
| 282 | V | 94.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.2 | 178.7 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | I241 Y274 A275 I284 I292 I293 L295 | I241-V282 HydrophobicContact CD1-CB 4.38Å; I241-V282 HydrophobicContact CD1-CG1 3.96Å; I241-V282 HydrophobicContact CD1-CG2 3.71Å; Y274-V282 WeakPolarHBondContact O-CA 3.31Å; A275-V282 HydrophobicContact CB-CG2 4.01Å; V282-I284 HydrophobicContact CG1-CG1 4.32Å; V282-I292 WeakPolarHBondContact O-CA 3.27Å; V282-I293 HydrophobicContact CB-CD1 4.34Å; V282-I293 HydrophobicContact CB-CG1 3.81Å; V282-I293 PolarHBondContact N-O 3.3Å; V282-I293 PolarHBondContact O-N 3.07Å; V282-L295 HydrophobicContact CG2-CD1 3.55Å; V282-L295 HydrophobicContact CG2-CG 4.15Å |
| 283 | A | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 141.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | V17 L19 M26 L273 Y274 I291 I292 | V17-A283 HydrophobicContact CB-CB 4.08Å; V17-A283 HydrophobicContact CG2-CB 3.78Å; L19-A283 HydrophobicContact CD1-CB 4.3Å; L19-A283 HydrophobicContact CD2-CB 3.97Å; L19-A283 HydrophobicContact CG-CB 4.12Å; M26-A283 HydrophobicContact CG-CB 4.27Å; M26-A283 HydrophobicContact SD-CB 3.82Å; L273-A283 WeakPolarHBondContact CA-O 3.46Å; Y274-A283 PolarHBondContact N-O 3.38Å; Y274-A283 PolarHBondContact O-N 3.17Å; A283-I291 WeakPolarHBondContact CA-O 3.22Å; A283-I292 HydrophobicContact CB-CG1 4.38Å |
| 284 | I | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 129.3 | -175.7 | -45.4 | 172.7 | 0 | 0 | 0 | 108.5 | V249 V270 V272 L273 V282 Y286 S290 I291 I293 | V249-I284 HydrophobicContact CG1-CD1 4.47Å; V249-I284 HydrophobicContact CG2-CD1 4.25Å; V249-I284 HydrophobicContact CG2-CG2 4.05Å; V270-I284 HydrophobicContact CG1-CG2 3.85Å; V272-I284 WeakPolarHBondContact O-CA 3.19Å; L273-I284 HydrophobicContact CD2-CB 4.14Å; L273-I284 HydrophobicContact CD2-CD1 4.36Å; L273-I284 HydrophobicContact CD2-CG1 3.71Å; L273-I284 HydrophobicContact CD2-CG2 3.75Å; V282-I284 HydrophobicContact CG1-CG1 4.32Å; I284-Y286 HydrophobicContact CB-CD2 4.47Å; I284-Y286 HydrophobicContact CB-CE2 3.72Å; I284-Y286 HydrophobicContact CG2-CD2 4.01Å; I284-Y286 HydrophobicContact CG2-CE1 4.41Å; I284-Y286 HydrophobicContact CG2-CE2 3.29Å; I284-S290 CarbonylContact O-C 3.48Å; I284-S290 WeakPolarHBondContact O-CA 3.19Å; I284-S290 WeakPolarHBondContact O-CB 3.47Å; I284-I291 PolarHBondContact N-O 2.67Å; I284-I291 PolarHBondContact O-N 2.64Å; I284-I293 HydrophobicContact CD1-CD1 3.98Å; I284-I293 HydrophobicContact CD1-CG1 4.19Å; I284-I293 HydrophobicContact CD1-CG2 4.26Å |
| 285 | G | 98.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W271 V272 | W271-G285 PolarHBondContact N-O 3.2Å; V272-G285 PolarHBondContact O-N 3.45Å |
| 286 | Y | 98.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 175.9 | -174.5 | -67 | -92.7 | 0 | 0 | 0 | 112.3 | R13 V14 Y265 L267 D268 R269 V270 I284 G289 I291 | R13-Y286 WeakPolarHBondContact CA-O 3.38Å; V14-Y286 PolarHBondContact N-O 2.69Å; Y265-Y286 WeakPolarHBondContact CD2-OH 3.43Å; L267-Y286 HydrophobicContact CB-CD1 3.73Å; L267-Y286 HydrophobicContact CB-CD2 4.11Å; L267-Y286 HydrophobicContact CB-CE1 4.42Å; L267-Y286 HydrophobicContact CB-CG 3.55Å; L267-Y286 HydrophobicContact CD1-CD2 3.62Å; L267-Y286 HydrophobicContact CD1-CE2 4.11Å; L267-Y286 HydrophobicContact CD1-CG 3.94Å; L267-Y286 HydrophobicContact CG-CG 4.42Å; L267-Y286 WeakPolarHBondContact O-CB 3.19Å; D268-Y286 WeakPolarHBondContact O-CD1 3.36Å; R269-Y286 CarbonylContact O-C 3.2Å; R269-Y286 WeakPolarHBondContact O-CA 3.38Å; V270-Y286 HydrophobicContact CB-CE1 4.44Å; V270-Y286 HydrophobicContact CG2-CD1 3.9Å; V270-Y286 HydrophobicContact CG2-CE1 3.42Å; V270-Y286 VanDerWaalsContact CG2-CE1 3.42Å; I284-Y286 HydrophobicContact CB-CD2 4.47Å; I284-Y286 HydrophobicContact CB-CE2 3.72Å; I284-Y286 HydrophobicContact CG2-CD2 4.01Å; I284-Y286 HydrophobicContact CG2-CE1 4.41Å; I284-Y286 HydrophobicContact CG2-CE2 3.29Å; Y286-G289 WeakPolarHBondContact CA-O 3.21Å; Y286-G289 WeakPolarHBondContact CB-O 3.36Å; Y286-G289 PolarHBondContact N-O 3.43Å; Y286-I291 HydrophobicContact CE2-CB 4.16Å; Y286-I291 HydrophobicContact CE2-CD1 4.01Å; Y286-I291 HydrophobicContact CE2-CG1 4.2Å |
| 287 | D | 98.1 | Very high | 89.2 | Confident | 19 Ų | 19 | 30.4 Ų | 30.4 | 10% | 0.102 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -39.8 | 168 | -95 | -11.3 | 0 | 0 | 0 | 113.2 | D12 R13 L267 D268 R269 W271 | D12-D287 CarbonylContact C-O 3.56Å; R13-D287 WeakPolarHBondContact CA-O 3.36Å; R13-D287 WeakPolarHBondContact CD-OD1 3.42Å; R13-D287 WeakPolarHBondContact CG-OD1 3.28Å; R13-D287 IonicContact CZ-OD1 3.22Å; R13-D287 PolarHBondContact N-O 2.62Å; R13-D287 IonicContact NE-OD1 3.24Å; R13-D287 PolarHBondContact NE-OD1 2.53Å; R13-D287 IonicContact NH2-OD1 2.61Å; R13-D287 PolarHBondContact NH2-OD1 3.13Å; R13-D287 IonicContact NH2-OD2 3.27Å; L267-D287 PolarHBondContact O-N 2.74Å; D268-D287 HydrophobicContact CB-CB 3.98Å; R269-D287 IonicContact CZ-OD2 3.4Å; R269-D287 VanDerWaalsContact CZ-OD2 3.22Å; R269-D287 IonicContact NE-OD2 2.9Å; R269-D287 PolarHBondContact NE-OD2 3.37Å; R269-D287 IonicContact NH2-OD1 3.61Å; R269-D287 IonicContact NH2-OD2 2.71Å; R269-D287 PolarHBondContact NH2-OD2 2.83Å; R269-D287 PolarHBondContact O-N 3.4Å; W271-D287 PolarHBondContact NE1-OD1 2.65Å |
| 288 | E | 97.8 | Very high | 88.2 | Confident | 86 Ų | 86 | 26.6 Ų | 26.6 | 40% | 0.402 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 23.2 | -178.9 | -61.2 | -163.3 | 171.2 | 0 | 0 | 114.4 | R10 S11 L267 | R10-E288 WeakPolarHBondContact CA-O 3.11Å; R10-E288 IonicContact CZ-OE2 3.45Å; R10-E288 IonicContact NH1-OE2 2.62Å; R10-E288 PolarHBondContact NH1-OE2 3.15Å; S11-E288 PolarHBondContact N-O 3.26Å; S11-E288 CarbonylContact O-C 3.51Å; L267-E288 HydrophobicContact CB-CB 4.26Å; L267-E288 HydrophobicContact CD2-CB 3.93Å; L267-E288 PolarHBondContact O-N 3.28Å |
| 289 | G | 97.2 | Very high | 88 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -145.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A9 S11 V14 Y286 | A9-G289 CarbonylContact O-C 3.57Å; A9-G289 WeakPolarHBondContact O-CA 3.26Å; S11-G289 PolarHBondContact O-N 3.23Å; S11-G289 WeakPolarHBondContact OG-CA 3.36Å; V14-G289 VanDerWaalsContact CG2-C 3.46Å; V14-G289 WeakPolarHBondContact CG2-O 2.88Å; Y286-G289 WeakPolarHBondContact CA-O 3.21Å; Y286-G289 WeakPolarHBondContact CB-O 3.36Å; Y286-G289 PolarHBondContact N-O 3.43Å |
| 290 | S | 97.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 154 | -174.8 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | A9 M26 I284 | A9-S290 PolarHBondContact N-O 3.12Å; A9-S290 PolarHBondContact O-N 3.25Å; M26-S290 WeakPolarHBondContact CE-OG 3.5Å; I284-S290 CarbonylContact O-C 3.48Å; I284-S290 WeakPolarHBondContact O-CA 3.19Å; I284-S290 WeakPolarHBondContact O-CB 3.47Å |
| 291 | I | 96.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 146.7 | 177.6 | -71.4 | 176.5 | 0 | 0 | 0 | 109.3 | R5 L7 L8 Y265 L267 A283 I284 Y286 I293 | R5-I291 HydrophobicContact CG-CG2 4.21Å; L7-I291 WeakPolarHBondContact O-CA 3.5Å; L8-I291 HydrophobicContact CD1-CD1 3.69Å; L8-I291 HydrophobicContact CD1-CG1 3.45Å; L8-I291 VanDerWaalsContact CD1-CG1 3.45Å; Y265-I291 HydrophobicContact CD1-CD1 3.98Å; Y265-I291 HydrophobicContact CD2-CD1 3.55Å; Y265-I291 HydrophobicContact CE2-CD1 4.33Å; Y265-I291 HydrophobicContact CE2-CG2 4.42Å; Y265-I291 HydrophobicContact CG-CD1 3.34Å; L267-I291 HydrophobicContact CD1-CD1 3.59Å; L267-I291 HydrophobicContact CD1-CG1 3.72Å; L267-I291 HydrophobicContact CG-CD1 4.45Å; A283-I291 WeakPolarHBondContact CA-O 3.22Å; I284-I291 PolarHBondContact N-O 2.67Å; I284-I291 PolarHBondContact O-N 2.64Å; Y286-I291 HydrophobicContact CE2-CB 4.16Å; Y286-I291 HydrophobicContact CE2-CD1 4.01Å; Y286-I291 HydrophobicContact CE2-CG1 4.2Å; I291-I293 HydrophobicContact CG2-CG2 3.67Å |
| 292 | I | 95.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.2 | 160.8 | -61.9 | -170.4 | 0 | 0 | 0 | 109.4 | K6 L7 L19 M26 Y40 T281 V282 A283 | K6-I292 HydrophobicContact CB-CB 4.29Å; K6-I292 HydrophobicContact CB-CG2 4.01Å; K6-I292 PolarHBondContact N-O 3.38Å; L7-I292 HydrophobicContact CB-CB 4.08Å; L7-I292 HydrophobicContact CB-CG1 4.3Å; L7-I292 HydrophobicContact CD2-CD1 4.42Å; L7-I292 PolarHBondContact N-O 2.95Å; L7-I292 PolarHBondContact O-N 3.3Å; L19-I292 HydrophobicContact CD2-CD1 4.01Å; M26-I292 HydrophobicContact CB-CD1 3.65Å; M26-I292 HydrophobicContact CE-CD1 4.27Å; M26-I292 HydrophobicContact CE-CG1 4.12Å; M26-I292 HydrophobicContact CG-CD1 4.16Å; M26-I292 HydrophobicContact SD-CD1 3.67Å; M26-I292 HydrophobicContact SD-CG1 3.45Å; M26-I292 WeakPolarHBondContact SD-CG1 3.39Å; Y40-I292 HydrophobicContact CD1-CD1 3.16Å; Y40-I292 HydrophobicContact CD2-CD1 4.35Å; Y40-I292 HydrophobicContact CE1-CD1 3.95Å; Y40-I292 HydrophobicContact CG-CD1 3.4Å; T281-I292 HydrophobicContact CG2-CG2 3.13Å; V282-I292 WeakPolarHBondContact O-CA 3.27Å; A283-I292 HydrophobicContact CB-CG1 4.38Å |
| 293 | I | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 149.3 | 169.1 | 66.4 | 174.5 | 0 | 0 | 0 | 110 | V3 K4 L263 Y265 T281 V282 I284 I291 L295 | V3-I293 HydrophobicContact CG1-CB 4.07Å; V3-I293 HydrophobicContact CG1-CD1 4.1Å; V3-I293 HydrophobicContact CG1-CG2 4.39Å; K4-I293 CarbonylContact O-C 3.49Å; K4-I293 WeakPolarHBondContact O-CA 3.16Å; L263-I293 HydrophobicContact CD1-CD1 3.94Å; Y265-I293 HydrophobicContact CE2-CG2 3.95Å; Y265-I293 WeakPolarHBondContact OH-CG2 3.05Å; T281-I293 WeakPolarHBondContact CA-O 3.16Å; V282-I293 HydrophobicContact CB-CD1 4.34Å; V282-I293 HydrophobicContact CB-CG1 3.81Å; V282-I293 PolarHBondContact N-O 3.3Å; V282-I293 PolarHBondContact O-N 3.07Å; I284-I293 HydrophobicContact CD1-CD1 3.98Å; I284-I293 HydrophobicContact CD1-CG1 4.19Å; I284-I293 HydrophobicContact CD1-CG2 4.26Å; I291-I293 HydrophobicContact CG2-CG2 3.67Å; I293-L295 HydrophobicContact CD1-CD2 3.85Å; I293-L295 HydrophobicContact CG1-CD2 4.36Å |
| 294 | K | 86.5 | Confident | 88.5 | Confident | 23 Ų | 23 | 27.7 Ų | 27.7 | 10% | 0.1 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.2 | 171.2 | -179.8 | -179.2 | 167.9 | -171.1 | 0 | 108.6 | V3 K4 K6 N280 E298 | V3-K294 WeakPolarHBondContact CA-O 3.26Å; K4-K294 PolarHBondContact N-O 3.12Å; K4-K294 PolarHBondContact O-N 2.77Å; K6-K294 HydrophobicContact CG-CB 3.95Å; N280-K294 WeakPolarHBondContact ND2-CE 3.22Å; N280-K294 CarbonylContact O-C 3.51Å; N280-K294 WeakPolarHBondContact O-CA 3.12Å; K294-E298 WeakPolarHBondContact CE-OE1 3.42Å; K294-E298 IonicContact NZ-OE1 3.69Å; K294-E298 PolarHBondContact NZ-OE1 2.78Å; K294-E298 IonicContact NZ-OE2 3.79Å |
| 295 | L | 83.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.5 | -177.4 | -60.6 | 179.7 | 0 | 0 | 0 | 110.1 | M1 V3 F237 I239 I241 I251 N280 V282 I293 | M1-L295 HydrophobicContact SD-CB 3.93Å; M1-L295 HydrophobicContact SD-CD2 4.33Å; V3-L295 HydrophobicContact CG1-CD2 4.14Å; V3-L295 HydrophobicContact CG2-CD2 3.84Å; F237-L295 HydrophobicContact CD2-CB 4.06Å; F237-L295 HydrophobicContact CD2-CD1 4.17Å; F237-L295 HydrophobicContact CE2-CB 3.63Å; F237-L295 HydrophobicContact CE2-CD1 4.44Å; F237-L295 HydrophobicContact CZ-CB 4.33Å; F237-L295 VanDerWaalsContact CZ-O 3.27Å; F237-L295 WeakPolarHBondContact CZ-O 3.19Å; I239-L295 HydrophobicContact CD1-CD1 3.64Å; I241-L295 HydrophobicContact CD1-CD1 3.89Å; I251-L295 HydrophobicContact CD1-CD2 3.99Å; N280-L295 WeakPolarHBondContact CB-O 3.34Å; N280-L295 PolarHBondContact ND2-O 2.99Å; N280-L295 PolarHBondContact O-N 2.91Å; V282-L295 HydrophobicContact CG2-CD1 3.55Å; V282-L295 HydrophobicContact CG2-CG 4.15Å; I293-L295 HydrophobicContact CD1-CD2 3.85Å; I293-L295 HydrophobicContact CG1-CD2 4.36Å |
| 296 | G | 69.4 | Low | 87.8 | Confident | 18 Ų | 18 | 33.3 Ų | 33.3 | 19% | 0.186 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 71 | -175.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D2 | D2-G296 WeakPolarHBondContact O-CA 3.49Å; D2-G296 PolarHBondContact O-N 2.68Å |
| 297 | R | 61.9 | Low | 87.4 | Confident | 195 Ų | 195 | 35.2 Ų | 35.2 | 74% | 0.736 | 19% | 0.187 | S | C | * | . | trans | -81.8 | 154.9 | 179.4 | -68.6 | -172.3 | 174.6 | 176.3 | 0.5 | 110.7 | ||||
| 298 | E | 61.8 | Low | 87.1 | Confident | 59 Ų | 59 | 34.3 Ų | 34.3 | 28% | 0.276 | 18% | 0.183 | S | C | . | . | trans | -89 | -9.3 | 177.7 | -113.1 | 166.7 | -131.5 | 0 | 0 | 112.6 | K294 K561 | K294-E298 WeakPolarHBondContact CE-OE1 3.42Å; K294-E298 IonicContact NZ-OE1 3.69Å; K294-E298 PolarHBondContact NZ-OE1 2.78Å; K294-E298 IonicContact NZ-OE2 3.79Å; E298-K561 HydrophobicContact CG-CD 4.19Å; E298-K561 WeakPolarHBondContact OE2-CE 3.36Å; E298-K561 IonicContact OE2-NZ 2.63Å; E298-K561 PolarHBondContact OE2-NZ 3.18Å | ||
| 299 | D | 73.6 | Confident | 86.9 | Confident | 88 Ų | 88 | 33.3 Ų | 33.3 | 47% | 0.471 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -73.8 | 127.5 | -173.2 | -54.4 | -31.4 | 0 | 0 | 0 | 108.8 | A301 Y545 | D299-A301 PolarHBondContact O-N 2.72Å; D299-Y545 HydrophobicContact CB-CE1 3.99Å; D299-Y545 WeakPolarHBondContact OD1-CE1 3.3Å; D299-Y545 PolarHBondContact OD1-OH 3.41Å |
| 300 | P | 80.6 | Confident | 86.8 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 15% | 0.149 | 18% | 0.177 | C | C | . | . | trans | -64.3 | 132.7 | -179.9 | 25.9 | -32.5 | 0 | 0 | 0 | 109.5 | V302 Y545 L563 | P300-V302 VanDerWaalsContact C-N 3.27Å; P300-V302 HydrophobicContact CB-CG1 3.89Å; P300-V302 HydrophobicContact CG-CG1 3.89Å; P300-V302 PolarHBondContact O-N 3.31Å; P300-Y545 VanDerWaalsContact CD-CD2 3.43Å; P300-Y545 HydrophobicContact CG-CD1 4.47Å; P300-Y545 HydrophobicContact CG-CD2 3.58Å; P300-Y545 HydrophobicContact CG-CE2 4Å; P300-Y545 HydrophobicContact CG-CG 3.85Å; P300-L563 HydrophobicContact CB-CD2 3.76Å | ||
| 301 | A | 88.6 | Confident | 86.7 | Confident | 14 Ų | 14 | 33.3 Ų | 33.3 | 12% | 0.116 | 18% | 0.177 | C | C | . | . | trans | -75.3 | 85.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | D299 W312 C313 I355 | D299-A301 PolarHBondContact O-N 2.72Å; A301-W312 CarbonylContact O-C 3.59Å; A301-W312 WeakPolarHBondContact O-CA 3.24Å; A301-W312 WeakPolarHBondContact O-CB 3.13Å; A301-C313 HydrophobicContact CB-CB 4.09Å; A301-C313 PolarHBondContact O-N 3.03Å; A301-I355 HydrophobicContact CB-CG2 4.19Å; A301-I355 VanDerWaalsContact O-CG2 3.27Å; A301-I355 WeakPolarHBondContact O-CG2 3.27Å | ||
| 302 | V | 92.6 | Very high | 86.5 | Confident | 22 Ų | 22 | 33.7 Ų | 33.7 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143.5 | -178.8 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | P300 I310 L311 W312 L547 L563 | P300-V302 VanDerWaalsContact C-N 3.27Å; P300-V302 HydrophobicContact CB-CG1 3.89Å; P300-V302 HydrophobicContact CG-CG1 3.89Å; P300-V302 PolarHBondContact O-N 3.31Å; V302-I310 HydrophobicContact CG2-CG2 3.6Å; V302-L311 CarbonylContact C-O 3.55Å; V302-L311 WeakPolarHBondContact CA-O 3.37Å; V302-W312 HydrophobicContact CB-CB 3.83Å; V302-W312 HydrophobicContact CG2-CB 3.9Å; V302-W312 HydrophobicContact CG2-CE3 4.3Å; V302-L547 HydrophobicContact CB-CD2 4.12Å; V302-L547 HydrophobicContact CG1-CD2 3.45Å; V302-L547 VanDerWaalsContact CG1-CD2 3.45Å; V302-L547 HydrophobicContact CG2-CD1 4.17Å; V302-L547 HydrophobicContact CG2-CD2 3.6Å; V302-L563 HydrophobicContact CB-CD2 4.31Å |
| 303 | T | 94.3 | Very high | 86 | Confident | 16 Ų | 16 | 34.2 Ų | 34.2 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 149.2 | 177.6 | -173.4 | 0 | 0 | 0 | 0 | 110 | I310 L311 I355 Y357 V364 | T303-I310 WeakPolarHBondContact O-CA 3.41Å; T303-I310 WeakPolarHBondContact O-CG2 3.15Å; T303-L311 HydrophobicContact CG2-CB 4.08Å; T303-L311 PolarHBondContact N-O 2.65Å; T303-L311 PolarHBondContact O-N 3.13Å; T303-L311 VanDerWaalsContact O-O 3.12Å; T303-I355 HydrophobicContact CG2-CB 4.46Å; T303-I355 HydrophobicContact CG2-CD1 4.32Å; T303-I355 HydrophobicContact CG2-CG1 3.91Å; T303-I355 HydrophobicContact CG2-CG2 4.01Å; T303-Y357 HydrophobicContact CG2-CD2 3.46Å; T303-Y357 VanDerWaalsContact CG2-CD2 3.46Å; T303-Y357 HydrophobicContact CG2-CE2 3.78Å; T303-Y357 HydrophobicContact CG2-CG 4.18Å; T303-Y357 WeakPolarHBondContact OG1-CD2 3.49Å; T303-Y357 PolarHBondContact OG1-N 3.3Å; T303-Y357 VanDerWaalsContact OG1-N 3.08Å; T303-V364 HydrophobicContact CG2-CG2 4.3Å |
| 304 | M | 94.3 | Very high | 85.3 | Confident | 19 Ų | 19 | 41 Ų | 41 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.6 | 173.3 | -173 | 177 | 72.5 | 0 | 0 | 110.1 | K309 I310 Y357 L547 G548 Y557 | M304-K309 CarbonylContact C-O 3.6Å; M304-K309 WeakPolarHBondContact CA-O 3.49Å; M304-I310 HydrophobicContact CB-CG1 4.15Å; M304-I310 HydrophobicContact CG-CG1 3.79Å; M304-I310 HydrophobicContact SD-CD1 4.35Å; M304-I310 HydrophobicContact SD-CG1 4Å; M304-Y357 VanDerWaalsContact C-CD2 3.47Å; M304-L547 HydrophobicContact CB-CB 3.93Å; M304-L547 HydrophobicContact CE-CB 4.37Å; M304-L547 HydrophobicContact SD-CB 4.44Å; M304-G548 VanDerWaalsContact CE-C 3.45Å; M304-G548 VanDerWaalsContact CE-CA 3.49Å; M304-Y557 HydrophobicContact CE-CD2 4.26Å; M304-Y557 HydrophobicContact SD-CD2 4.33Å; M304-Y557 HydrophobicContact SD-CG 4.28Å |
| 305 | D | 93.2 | Very high | 84.6 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 10% | 0.096 | 22% | 0.216 | C | C | . | . | trans | -83.8 | 169 | 171.5 | 77.7 | 2.8 | 0 | 0 | 0 | 111.4 | S307 G308 K309 Y357 | D305-S307 PolarHBondContact O-N 3.22Å; D305-S307 VanDerWaalsContact OD1-CA 3.29Å; D305-S307 WeakPolarHBondContact OD1-CA 3.46Å; D305-S307 WeakPolarHBondContact OD1-CB 3.5Å; D305-S307 PolarHBondContact OD1-N 3.37Å; D305-S307 PolarHBondContact OD1-OG 2.93Å; D305-S307 PolarHBondContact OD2-OG 2.89Å; D305-G308 PolarHBondContact O-N 3Å; D305-G308 PolarHBondContact OD1-N 3.29Å; D305-K309 PolarHBondContact N-O 3.43Å; D305-K309 PolarHBondContact OD1-N 2.78Å; D305-Y357 HydrophobicContact CB-CD1 4.32Å; D305-Y357 HydrophobicContact CB-CD2 3.82Å; D305-Y357 HydrophobicContact CB-CE1 4.35Å; D305-Y357 HydrophobicContact CB-CE2 3.86Å; D305-Y357 HydrophobicContact CB-CG 4.05Å | ||
| 306 | S | 89.7 | Confident | 84.1 | Confident | 100 Ų | 100 | 44.5 Ų | 44.5 | 70% | 0.699 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -8.6 | 177.4 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | L550 | S306-L550 WeakPolarHBondContact O-CD2 3.43Š|
| 307 | S | 90.6 | Very high | 84.6 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -13.6 | 178.9 | 86.3 | 0 | 0 | 0 | 0 | 113.7 | D305 K324 | D305-S307 PolarHBondContact O-N 3.22Å; D305-S307 VanDerWaalsContact OD1-CA 3.29Å; D305-S307 WeakPolarHBondContact OD1-CA 3.46Å; D305-S307 WeakPolarHBondContact OD1-CB 3.5Å; D305-S307 PolarHBondContact OD1-N 3.37Å; D305-S307 PolarHBondContact OD1-OG 2.93Å; D305-S307 PolarHBondContact OD2-OG 2.89Å; S307-K324 WeakPolarHBondContact O-CD 3.3Å; S307-K324 WeakPolarHBondContact O-CE 3.29Å; S307-K324 PolarHBondContact O-NZ 2.93Å |
| 308 | G | 91.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 96.8 | 12.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D305 N322 V323 | D305-G308 PolarHBondContact O-N 3Å; D305-G308 PolarHBondContact OD1-N 3.29Å; G308-N322 PolarHBondContact O-OD1 3.33Å; G308-V323 PolarHBondContact O-N 2.93Å |
| 309 | K | 94 | Very high | 87.3 | Confident | 64 Ų | 64 | 37.5 Ų | 37.5 | 28% | 0.278 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127 | 169.1 | -68.1 | 177.8 | -174 | 172 | 0 | 109.2 | M304 D305 Y357 | M304-K309 CarbonylContact C-O 3.6Å; M304-K309 WeakPolarHBondContact CA-O 3.49Å; D305-K309 PolarHBondContact N-O 3.43Å; D305-K309 PolarHBondContact OD1-N 2.78Å; K309-Y357 WeakPolarHBondContact O-CE2 3.34Å |
| 310 | I | 95 | Very high | 88.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.6 | 179.3 | -51.8 | 174.2 | 0 | 0 | 0 | 107.4 | V302 T303 M304 W312 Q320 A321 V323 L340 L547 I565 | V302-I310 HydrophobicContact CG2-CG2 3.6Å; T303-I310 WeakPolarHBondContact O-CA 3.41Å; T303-I310 WeakPolarHBondContact O-CG2 3.15Å; M304-I310 HydrophobicContact CB-CG1 4.15Å; M304-I310 HydrophobicContact CG-CG1 3.79Å; M304-I310 HydrophobicContact SD-CD1 4.35Å; M304-I310 HydrophobicContact SD-CG1 4Å; I310-W312 HydrophobicContact CB-CE3 4.3Å; I310-W312 HydrophobicContact CB-CZ3 4.14Å; I310-W312 HydrophobicContact CG2-CE3 3.51Å; I310-W312 HydrophobicContact CG2-CZ3 3.75Å; I310-Q320 WeakPolarHBondContact O-CA 2.84Å; I310-A321 PolarHBondContact N-O 3.31Å; I310-A321 PolarHBondContact O-N 3.28Å; I310-A321 VanDerWaalsContact O-O 3.13Å; I310-V323 HydrophobicContact CD1-CG2 3.64Å; I310-V323 HydrophobicContact CG1-CG2 4.19Å; I310-L340 HydrophobicContact CD1-CD1 4.23Å; I310-L547 HydrophobicContact CD1-CD1 4.04Å; I310-L547 HydrophobicContact CG2-CD1 4.17Å; I310-I565 HydrophobicContact CD1-CB 4.46Å; I310-I565 HydrophobicContact CD1-CD1 4.08Å; I310-I565 HydrophobicContact CD1-CG1 3.9Å; I310-I565 HydrophobicContact CD1-CG2 3.79Å; I310-I565 HydrophobicContact CG2-CD1 4.43Å |
| 311 | L | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.6 | 165.6 | -73.7 | 172.6 | 0 | 0 | 0 | 108.2 | V302 T303 I318 Q319 Q320 I355 Y357 V364 I380 | V302-L311 CarbonylContact C-O 3.55Å; V302-L311 WeakPolarHBondContact CA-O 3.37Å; T303-L311 HydrophobicContact CG2-CB 4.08Å; T303-L311 PolarHBondContact N-O 2.65Å; T303-L311 PolarHBondContact O-N 3.13Å; T303-L311 VanDerWaalsContact O-O 3.12Å; L311-I318 HydrophobicContact CD2-CG2 4.05Å; L311-Q319 WeakPolarHBondContact CA-O 3.17Å; L311-Q319 WeakPolarHBondContact CD2-O 3.31Å; L311-Q320 HydrophobicContact CD2-CB 3.64Å; L311-Q320 HydrophobicContact CD2-CG 3.78Å; L311-I355 HydrophobicContact CB-CD1 3.82Å; L311-Y357 HydrophobicContact CB-CE2 4.35Å; L311-Y357 HydrophobicContact CD1-CE1 3.83Å; L311-Y357 HydrophobicContact CD1-CE2 4.2Å; L311-Y357 VanDerWaalsContact CD1-CZ 3.47Å; L311-Y357 WeakPolarHBondContact CD1-OH 3.5Å; L311-Y357 HydrophobicContact CG-CE2 4.26Å; L311-Y357 VanDerWaalsContact CG-OH 3.22Å; L311-Y357 WeakPolarHBondContact CG-OH 3.45Å; L311-V364 HydrophobicContact CD1-CB 4.13Å; L311-V364 HydrophobicContact CD1-CG1 4.02Å; L311-V364 HydrophobicContact CD1-CG2 3.99Å; L311-I380 HydrophobicContact CD1-CD1 4.17Å |
| 312 | W | 92.3 | Very high | 89 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 3% | 0.034 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 159.6 | 167.6 | 57.1 | 74.3 | 0 | 0 | 0 | 110.1 | A301 V302 I310 Q319 A321 V342 L563 I565 | A301-W312 CarbonylContact O-C 3.59Å; A301-W312 WeakPolarHBondContact O-CA 3.24Å; A301-W312 WeakPolarHBondContact O-CB 3.13Å; V302-W312 HydrophobicContact CB-CB 3.83Å; V302-W312 HydrophobicContact CG2-CB 3.9Å; V302-W312 HydrophobicContact CG2-CE3 4.3Å; I310-W312 HydrophobicContact CB-CE3 4.3Å; I310-W312 HydrophobicContact CB-CZ3 4.14Å; I310-W312 HydrophobicContact CG2-CE3 3.51Å; I310-W312 HydrophobicContact CG2-CZ3 3.75Å; W312-Q319 HydrophobicContact CZ2-CB 4.5Å; W312-Q319 PolarHBondContact N-O 3.29Å; W312-Q319 VanDerWaalsContact N-O 3.08Å; W312-Q319 PolarHBondContact O-N 3.35Å; W312-A321 HydrophobicContact CH2-CB 3.39Å; W312-A321 HydrophobicContact CZ2-CB 4.44Å; W312-A321 HydrophobicContact CZ3-CB 3.59Å; W312-V342 HydrophobicContact CH2-CG2 3.96Å; W312-V342 HydrophobicContact CZ2-CB 4.31Å; W312-V342 HydrophobicContact CZ2-CG1 3.69Å; W312-V342 HydrophobicContact CZ2-CG2 3.65Å; W312-L563 HydrophobicContact CB-CD1 4.41Å; W312-L563 HydrophobicContact CB-CD2 3.82Å; W312-L563 VanDerWaalsContact CD1-CD1 3.49Å; W312-L563 HydrophobicContact CD2-CB 4.43Å; W312-L563 HydrophobicContact CG-CB 4.48Å; W312-L563 HydrophobicContact CG-CD1 3.94Å; W312-L563 HydrophobicContact CG-CD2 4.02Å; W312-L563 HydrophobicContact CG-CG 4.37Å; W312-I565 HydrophobicContact CE3-CD1 4.36Å; W312-I565 HydrophobicContact CZ3-CD1 4.01Å; W312-I565 HydrophobicContact CZ3-CG1 4.1Å |
| 313 | C | 86.4 | Confident | 88.8 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125 | 169 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | A301 E317 P352 | A301-C313 HydrophobicContact CB-CB 4.09Å; A301-C313 PolarHBondContact O-N 3.03Å; C313-E317 CarbonylContact C-O 3.56Å; C313-E317 VanDerWaalsContact CA-O 3.31Å; C313-E317 WeakPolarHBondContact CA-O 3.31Å; C313-P352 HydrophobicContact CB-CB 3.59Å; C313-P352 HydrophobicContact CB-CG 3.24Å; C313-P352 WeakPolarHBondContact SG-CB 3.34Å |
| 314 | R | 77.3 | Confident | 88.4 | Confident | 142 Ų | 142 | 39 Ų | 39 | 54% | 0.536 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 109 | 166.3 | -171.2 | 176.3 | -175.5 | 161.8 | 4.7 | 107.2 | M316 E317 L563 | R314-M316 PolarHBondContact O-N 3.15Å; R314-E317 PolarHBondContact N-O 3.15Å; R314-E317 PolarHBondContact O-N 3.43Å; R314-L563 HydrophobicContact CB-CD1 4.05Å; R314-L563 HydrophobicContact CG-CD1 4.33Å |
| 315 | N | 71.6 | Confident | 87.8 | Confident | 54 Ų | 54 | 41.4 Ų | 41.4 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -120.9 | -171.4 | -52.8 | -11.8 | 0 | 0 | 0 | 109.4 | D236 P352 | D236-N315 WeakPolarHBondContact O-CB 3.46Å; D236-N315 VanDerWaalsContact O-CG 3.24Å; D236-N315 PolarHBondContact O-OD1 3.35Å; D236-N315 PolarHBondContact OD1-ND2 3.1Å; N315-P352 WeakPolarHBondContact O-CD 3.27Å; N315-P352 WeakPolarHBondContact O-CG 3.47Å |
| 316 | M | 74 | Confident | 87.3 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 21% | 0.212 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 1.7 | 175.3 | -65.2 | -172.5 | -67.4 | 0 | 0 | 113.8 | P238 R314 S347 C348 Y351 | P238-M316 HydrophobicContact CB-CE 4.11Å; P238-M316 HydrophobicContact CB-SD 3.98Å; P238-M316 HydrophobicContact CG-SD 4.23Å; R314-M316 PolarHBondContact O-N 3.15Å; M316-S347 CarbonylContact O-C 3.59Å; M316-S347 WeakPolarHBondContact O-CA 3.49Å; M316-C348 PolarHBondContact O-N 3.34Å; M316-Y351 HydrophobicContact CG-CD2 4.22Å |
| 317 | E | 79.7 | Confident | 86.5 | Confident | 101 Ų | 101 | 41.4 Ų | 41.4 | 47% | 0.472 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.3 | -177.8 | -66.2 | -176.4 | 171.3 | 0 | 0 | 111.5 | C313 R314 | C313-E317 CarbonylContact C-O 3.56Å; C313-E317 VanDerWaalsContact CA-O 3.31Å; C313-E317 WeakPolarHBondContact CA-O 3.31Å; R314-E317 PolarHBondContact N-O 3.15Å; R314-E317 PolarHBondContact O-N 3.43Å |
| 318 | I | 88.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.7 | 171 | -57 | 177.6 | 0 | 0 | 0 | 107.7 | L311 M345 C346 C348 I355 V366 Y375 I380 | L311-I318 HydrophobicContact CD2-CG2 4.05Å; I318-M345 WeakPolarHBondContact O-CB 3.24Å; I318-M345 PolarHBondContact O-N 3.07Å; I318-C346 PolarHBondContact N-O 2.87Å; I318-C346 PolarHBondContact O-N 2.71Å; I318-C348 HydrophobicContact CD1-CB 4.31Å; I318-C348 HydrophobicContact CG1-CB 4.42Å; I318-I355 HydrophobicContact CG2-CD1 4.44Å; I318-V366 HydrophobicContact CD1-CG2 3.85Å; I318-Y375 HydrophobicContact CD1-CE2 4.16Å; I318-I380 HydrophobicContact CD1-CG2 4.26Å |
| 319 | Q | 90.9 | Very high | 84.1 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 11% | 0.112 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 152.6 | 178 | -59.8 | -175.1 | -39.9 | 0 | 0 | 110 | L311 W312 V342 K343 D344 | L311-Q319 WeakPolarHBondContact CA-O 3.17Å; L311-Q319 WeakPolarHBondContact CD2-O 3.31Å; W312-Q319 HydrophobicContact CZ2-CB 4.5Å; W312-Q319 PolarHBondContact N-O 3.29Å; W312-Q319 VanDerWaalsContact N-O 3.08Å; W312-Q319 PolarHBondContact O-N 3.35Å; Q319-V342 HydrophobicContact CB-CG1 3.81Å; Q319-V342 HydrophobicContact CG-CG1 4.27Å; Q319-K343 WeakPolarHBondContact CA-O 3.34Å; Q319-D344 WeakPolarHBondContact CG-OD1 3.15Å; Q319-D344 PolarHBondContact NE2-OD1 3.41Å |
| 320 | Q | 93.2 | Very high | 83 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 16% | 0.159 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.8 | -179.8 | -169.3 | -170 | -36.1 | 0 | 0 | 110.9 | I310 L311 K343 M345 | I310-Q320 WeakPolarHBondContact O-CA 2.84Å; L311-Q320 HydrophobicContact CD2-CB 3.64Å; L311-Q320 HydrophobicContact CD2-CG 3.78Å; Q320-K343 PolarHBondContact N-O 3.48Å; Q320-K343 PolarHBondContact O-N 3.49Å; Q320-M345 HydrophobicContact CB-CG 3.69Å; Q320-M345 HydrophobicContact CB-SD 4.08Å; Q320-M345 PolarHBondContact OE1-SD 2.8Å; Q320-M345 VanDerWaalsContact OE1-SD 3.39Å |
| 321 | A | 93.1 | Very high | 81.8 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 161.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I310 W312 L340 | I310-A321 PolarHBondContact N-O 3.31Å; I310-A321 PolarHBondContact O-N 3.28Å; I310-A321 VanDerWaalsContact O-O 3.13Å; W312-A321 HydrophobicContact CH2-CB 3.39Å; W312-A321 HydrophobicContact CZ2-CB 4.44Å; W312-A321 HydrophobicContact CZ3-CB 3.59Å; A321-L340 HydrophobicContact CB-CB 4.07Å; A321-L340 HydrophobicContact CB-CD1 4.06Å |
| 322 | N | 91.9 | Very high | 81.1 | Confident | 45 Ų | 45 | 64 Ų | 64 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 118.8 | 176 | -175.3 | -0.9 | 0 | 0 | 0 | 109.5 | G308 K324 A325 | G308-N322 PolarHBondContact O-OD1 3.33Å; N322-K324 PolarHBondContact O-N 3.2Å; N322-K324 PolarHBondContact OD1-N 3.2Å; N322-A325 HydrophobicContact CB-CB 4.35Å; N322-A325 VanDerWaalsContact O-CB 3.26Å; N322-A325 WeakPolarHBondContact O-CB 3.47Å; N322-A325 PolarHBondContact O-N 3.47Å; N322-A325 VanDerWaalsContact O-N 3.07Å |
| 323 | V | 89.3 | Confident | 80.8 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.024 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -59 | -38.3 | 179.1 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | G308 I310 A325 I326 L550 Y557 | G308-V323 PolarHBondContact O-N 2.93Å; I310-V323 HydrophobicContact CD1-CG2 3.64Å; I310-V323 HydrophobicContact CG1-CG2 4.19Å; V323-A325 PolarHBondContact O-N 3.45Å; V323-A325 VanDerWaalsContact O-N 3.11Å; V323-I326 WeakPolarHBondContact O-CG1 3.47Å; V323-I326 PolarHBondContact O-N 3.29Å; V323-I326 VanDerWaalsContact O-N 3.15Å; V323-L550 HydrophobicContact CG1-CD1 4.27Å; V323-Y557 HydrophobicContact CB-CE1 4.39Å; V323-Y557 HydrophobicContact CG1-CD1 4.28Å; V323-Y557 HydrophobicContact CG1-CE1 3.43Å; V323-Y557 VanDerWaalsContact CG1-CE1 3.43Å; V323-Y557 HydrophobicContact CG1-CE2 4.07Å; V323-Y557 WeakPolarHBondContact CG1-OH 3.42Å; V323-Y557 HydrophobicContact CG2-CD1 4.07Å; V323-Y557 HydrophobicContact CG2-CE1 4.02Å |
| 324 | K | 85 | Confident | 80.7 | Confident | 110 Ų | 110 | 69.9 Ų | 69.9 | 48% | 0.478 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -70.7 | -5.6 | 179.6 | -67.8 | -178.2 | 173.8 | 160.3 | 0 | 114.3 | S307 N322 | S307-K324 WeakPolarHBondContact O-CD 3.3Å; S307-K324 WeakPolarHBondContact O-CE 3.29Å; S307-K324 PolarHBondContact O-NZ 2.93Å; N322-K324 PolarHBondContact O-N 3.2Å; N322-K324 PolarHBondContact OD1-N 3.2Å |
| 325 | A | 83.5 | Confident | 81.1 | Confident | 69 Ų | 69 | 64.5 Ų | 64.5 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -76.6 | -14.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N322 V323 | N322-A325 HydrophobicContact CB-CB 4.35Å; N322-A325 VanDerWaalsContact O-CB 3.26Å; N322-A325 WeakPolarHBondContact O-CB 3.47Å; N322-A325 PolarHBondContact O-N 3.47Å; N322-A325 VanDerWaalsContact O-N 3.07Å; V323-A325 PolarHBondContact O-N 3.45Å; V323-A325 VanDerWaalsContact O-N 3.11Å |
| 326 | I | 81.2 | Confident | 81.7 | Confident | 23 Ų | 23 | 67.1 Ų | 67.1 | 12% | 0.118 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -70.3 | 130.7 | 173 | -58.2 | 176.2 | 0 | 0 | 0 | 108.4 | V323 G328 I332 L338 L340 | V323-I326 WeakPolarHBondContact O-CG1 3.47Å; V323-I326 PolarHBondContact O-N 3.29Å; V323-I326 VanDerWaalsContact O-N 3.15Å; I326-G328 PolarHBondContact O-N 3.47Å; I326-I332 HydrophobicContact CD1-CD1 4.48Å; I326-L338 HydrophobicContact CD1-CB 4.01Å; I326-L338 HydrophobicContact CD1-CD1 4.4Å; I326-L338 HydrophobicContact CD1-CD2 3.94Å; I326-L338 HydrophobicContact CD1-CG 4.34Å; I326-L340 HydrophobicContact CD1-CD2 3.57Å; I326-L340 HydrophobicContact CD1-CG 4.44Å; I326-L340 HydrophobicContact CG1-CD2 3.71Å |
| 327 | P | 74.4 | Confident | 82.3 | Confident | 94 Ų | 94 | 72.6 Ų | 72.6 | 61% | 0.61 | 40% | 0.403 | S | S | * | . | trans | -56.3 | 131.5 | 176.1 | -22.6 | 32.6 | 0 | 0 | 0 | 111.1 | E329 T330 | P327-E329 PolarHBondContact O-N 3.11Å; P327-T330 PolarHBondContact O-N 2.82Å; P327-T330 PolarHBondContact O-OG1 3.17Å | ||
| 328 | G | 67.1 | Low | 82.7 | Confident | 89 Ų | 89 | 68 Ų | 68 | 92% | 0.918 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -11.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I326 | I326-G328 PolarHBondContact O-N 3.47Š|
| 329 | E | 62.9 | Low | 82.7 | Confident | 193 Ų | 193 | 73.3 Ų | 73.3 | 90% | 0.902 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -7.6 | 176.2 | -64.3 | -178.2 | 176.6 | 0 | 0 | 113.3 | P327 E331 | P327-E329 PolarHBondContact O-N 3.11Å; E329-E331 PolarHBondContact O-N 2.88Å |
| 330 | T | 71.1 | Confident | 82.5 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 44% | 0.442 | 42% | 0.417 | S | S | . | . | trans | -75.7 | 110.6 | -179.7 | -24.7 | 0 | 0 | 0 | 0 | 109 | P327 I332 | P327-T330 PolarHBondContact O-N 2.82Å; P327-T330 PolarHBondContact O-OG1 3.17Å; T330-I332 PolarHBondContact O-N 3.23Å; T330-I332 VanDerWaalsContact O-N 3.09Å | ||
| 331 | E | 71 | Confident | 82.3 | Confident | 191 Ų | 191 | 75.7 Ų | 75.7 | 89% | 0.893 | 44% | 0.442 | S | S | * | . | trans | -66.2 | 109 | 170.6 | -74.9 | -169.8 | 166.3 | 0 | 0 | 109.3 | E329 | E329-E331 PolarHBondContact O-N 2.88Š| ||
| 332 | I | 79.9 | Confident | 82.1 | Confident | 33 Ų | 33 | 79.1 Ų | 79.1 | 17% | 0.169 | 46% | 0.463 | C | S | . | . | trans | -89 | 114 | 178.5 | -60.2 | 162.2 | 0 | 0 | 0 | 108.4 | I326 T330 L338 R555 S567 | I326-I332 HydrophobicContact CD1-CD1 4.48Å; T330-I332 PolarHBondContact O-N 3.23Å; T330-I332 VanDerWaalsContact O-N 3.09Å; I332-L338 HydrophobicContact CB-CD2 4.45Å; I332-L338 HydrophobicContact CD1-CD2 3.89Å; I332-L338 HydrophobicContact CG1-CD2 4.12Å; I332-L338 HydrophobicContact CG2-CD2 3.46Å; I332-L338 VanDerWaalsContact CG2-CD2 3.46Å; I332-R555 VanDerWaalsContact O-CZ 3.27Å; I332-R555 PolarHBondContact O-NH1 2.84Å; I332-R555 PolarHBondContact O-NH2 3.04Å; I332-S567 VanDerWaalsContact CG2-OG 3.28Å; I332-S567 WeakPolarHBondContact CG2-OG 3.28Å | ||
| 333 | A | 84.2 | Confident | 82 | Confident | 55 Ų | 55 | 83.2 Ų | 83.2 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | trans | -68 | 151.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G335 E336 | A333-G335 PolarHBondContact O-N 2.91Å; A333-E336 HydrophobicContact CB-CB 4.28Å; A333-E336 PolarHBondContact O-N 3.28Å | ||
| 334 | N | 85.6 | Confident | 81.8 | Confident | 89 Ų | 89 | 87.9 Ų | 87.9 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 131.3 | 174.5 | -72.5 | -30.8 | 0 | 0 | 0 | 110.1 | E336 Y568 Q569 | N334-E336 VanDerWaalsContact C-N 3.3Å; N334-Y568 HydrophobicContact CB-CD1 3.91Å; N334-Y568 HydrophobicContact CB-CE1 4.22Å; N334-Q569 WeakPolarHBondContact OD1-CB 3.19Å; N334-Q569 PolarHBondContact OD1-N 2.79Å |
| 335 | G | 84.6 | Confident | 81.9 | Confident | 29 Ų | 29 | 84.7 Ų | 84.7 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 0.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | A333 S567 | A333-G335 PolarHBondContact O-N 2.91Å; G335-S567 PolarHBondContact N-O 3.11Å |
| 336 | E | 84.9 | Confident | 81.8 | Confident | 110 Ų | 110 | 83.4 Ų | 83.4 | 51% | 0.514 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 146.2 | 176.8 | -163.5 | 178.9 | 177.1 | 0 | 0 | 112.1 | A333 N334 | A333-E336 HydrophobicContact CB-CB 4.28Å; A333-E336 PolarHBondContact O-N 3.28Å; N334-E336 VanDerWaalsContact C-N 3.3Å |
| 337 | R | 86.2 | Confident | 81.7 | Confident | 157 Ų | 157 | 86.3 Ų | 86.3 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | B | Isolated β-bridge | trans | -69.6 | 129.5 | 173 | 176.9 | -178.6 | 174.7 | 173.3 | 6.8 | 110.1 | N564 | R337-N564 HydrophobicContact CG-CB 4.23Å; R337-N564 PolarHBondContact NE-OD1 3.45Å; R337-N564 PolarHBondContact NH1-OD1 2.67Å; R337-N564 VanDerWaalsContact NH1-OD1 3.1Å; R337-N564 PolarHBondContact NH2-OD1 3.05Å |
| 338 | L | 88.6 | Confident | 81.8 | Confident | 6 Ų | 6 | 82 Ų | 82 | 3% | 0.031 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 130.1 | 176.6 | -61.4 | 175.7 | 0 | 0 | 0 | 111.4 | I326 I332 L340 Y557 I565 | I326-L338 HydrophobicContact CD1-CB 4.01Å; I326-L338 HydrophobicContact CD1-CD1 4.4Å; I326-L338 HydrophobicContact CD1-CD2 3.94Å; I326-L338 HydrophobicContact CD1-CG 4.34Å; I332-L338 HydrophobicContact CB-CD2 4.45Å; I332-L338 HydrophobicContact CD1-CD2 3.89Å; I332-L338 HydrophobicContact CG1-CD2 4.12Å; I332-L338 HydrophobicContact CG2-CD2 3.46Å; I332-L338 VanDerWaalsContact CG2-CD2 3.46Å; L338-L340 HydrophobicContact CB-CD1 4.28Å; L338-L340 HydrophobicContact CB-CD2 4.46Å; L338-L340 HydrophobicContact CB-CG 3.92Å; L338-L340 PolarHBondContact O-N 2.78Å; L338-Y557 HydrophobicContact CD1-CD1 3.69Å; L338-Y557 HydrophobicContact CD1-CE1 3.47Å; L338-Y557 VanDerWaalsContact CD1-CE1 3.47Å; L338-I565 HydrophobicContact CD1-CB 4.27Å; L338-I565 HydrophobicContact CD1-CG2 3.75Å; L338-I565 PolarHBondContact N-O 2.91Å |
| 339 | P | 87.4 | Confident | 82.2 | Confident | 110 Ų | 110 | 84 Ų | 84 | 71% | 0.714 | 46% | 0.461 | S | S | * | . | trans | -79.8 | 69.6 | 176.1 | 33.5 | -35.2 | 0 | 0 | 0 | 110.8 | ||||
| 340 | L | 87.8 | Confident | 83 | Confident | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.141 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 135 | -179.5 | -63.6 | 173.2 | 0 | 0 | 0 | 111.8 | I310 A321 I326 L338 V342 I565 | I310-L340 HydrophobicContact CD1-CD1 4.23Å; A321-L340 HydrophobicContact CB-CB 4.07Å; A321-L340 HydrophobicContact CB-CD1 4.06Å; I326-L340 HydrophobicContact CD1-CD2 3.57Å; I326-L340 HydrophobicContact CD1-CG 4.44Å; I326-L340 HydrophobicContact CG1-CD2 3.71Å; L338-L340 HydrophobicContact CB-CD1 4.28Å; L338-L340 HydrophobicContact CB-CD2 4.46Å; L338-L340 HydrophobicContact CB-CG 3.92Å; L338-L340 PolarHBondContact O-N 2.78Å; L340-V342 PolarHBondContact O-N 3.25Å; L340-I565 HydrophobicContact CD1-CB 3.75Å; L340-I565 HydrophobicContact CD1-CG1 3.61Å; L340-I565 HydrophobicContact CD1-CG2 4.15Å |
| 341 | A | 88.6 | Confident | 83.2 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 68% | 0.678 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 121.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 342 | V | 88.6 | Confident | 83.7 | Confident | 74 Ų | 74 | 64.6 Ų | 64.6 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 134.7 | 178.7 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | W312 Q319 L340 | W312-V342 HydrophobicContact CH2-CG2 3.96Å; W312-V342 HydrophobicContact CZ2-CB 4.31Å; W312-V342 HydrophobicContact CZ2-CG1 3.69Å; W312-V342 HydrophobicContact CZ2-CG2 3.65Å; Q319-V342 HydrophobicContact CB-CG1 3.81Å; Q319-V342 HydrophobicContact CG-CG1 4.27Å; L340-V342 PolarHBondContact O-N 3.25Å |
| 343 | K | 89.6 | Confident | 83.8 | Confident | 130 Ų | 130 | 68.2 Ų | 68.2 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124 | 175.6 | -178.7 | -174.4 | 175 | -169.3 | 0 | 109.7 | Q319 Q320 M345 | Q319-K343 WeakPolarHBondContact CA-O 3.34Å; Q320-K343 PolarHBondContact N-O 3.48Å; Q320-K343 PolarHBondContact O-N 3.49Å; K343-M345 HydrophobicContact CD-SD 3.97Å; K343-M345 HydrophobicContact CG-SD 4.33Å |
| 344 | D | 85.7 | Confident | 84 | Confident | 102 Ų | 102 | 68.1 Ų | 68.1 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.6 | 171.3 | -54.6 | -44.1 | 0 | 0 | 0 | 110 | Q319 | Q319-D344 WeakPolarHBondContact CG-OD1 3.15Å; Q319-D344 PolarHBondContact NE2-OD1 3.41Å |
| 345 | M | 86.3 | Confident | 84.4 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 22% | 0.217 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -54.6 | -175.7 | -65.4 | -66.7 | -70.5 | 0 | 0 | 111.8 | I318 Q320 K343 I380 | I318-M345 WeakPolarHBondContact O-CB 3.24Å; I318-M345 PolarHBondContact O-N 3.07Å; Q320-M345 HydrophobicContact CB-CG 3.69Å; Q320-M345 HydrophobicContact CB-SD 4.08Å; Q320-M345 PolarHBondContact OE1-SD 2.8Å; Q320-M345 VanDerWaalsContact OE1-SD 3.39Å; K343-M345 HydrophobicContact CD-SD 3.97Å; K343-M345 HydrophobicContact CG-SD 4.33Å; M345-I380 HydrophobicContact CB-CG1 4.02Å; M345-I380 HydrophobicContact CE-CG1 3.73Å |
| 346 | C | 82.9 | Confident | 84.8 | Confident | 42 Ų | 42 | 67 Ų | 67 | 28% | 0.284 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 169.3 | 176.5 | 72.4 | 0 | 0 | 0 | 0 | 111.5 | I318 I380 | I318-C346 PolarHBondContact N-O 2.87Å; I318-C346 PolarHBondContact O-N 2.71Å; C346-I380 WeakPolarHBondContact SG-CG2 3.34Å |
| 347 | S | 78.6 | Confident | 85.3 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 58% | 0.58 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 141.3 | 160.7 | 55.2 | 0 | 0 | 0 | 0 | 110.2 | M316 | M316-S347 CarbonylContact O-C 3.59Å; M316-S347 WeakPolarHBondContact O-CA 3.49Å |
| 348 | C | 77.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.027 | 31% | 0.312 | C | S | . | . | trans | -90.2 | 145.6 | 169.7 | -161.3 | 0 | 0 | 0 | 0 | 109.8 | M316 I318 I350 Y375 | M316-C348 PolarHBondContact O-N 3.34Å; I318-C348 HydrophobicContact CD1-CB 4.31Å; I318-C348 HydrophobicContact CG1-CB 4.42Å; C348-I350 VanDerWaalsContact C-N 3.28Å; C348-I350 VanDerWaalsContact SG-CG1 3.57Å; C348-Y375 PolarHBondContact SG-OH 3.19Å | ||
| 349 | D | 73.8 | Confident | 85.8 | Confident | 131 Ų | 131 | 58 Ų | 58 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -76.3 | -19.5 | 178.8 | -61.6 | -45.1 | 0 | 0 | 0 | 112.5 | I373 | D349-I373 HydrophobicContact CB-CD1 4.37Š|
| 350 | I | 79.6 | Confident | 85.9 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -113.6 | 156.1 | -179.8 | 62 | 171 | 0 | 0 | 0 | 110.2 | C348 P352 V366 E371 I373 | C348-I350 VanDerWaalsContact C-N 3.28Å; C348-I350 VanDerWaalsContact SG-CG1 3.57Å; I350-P352 WeakPolarHBondContact O-CD 3.36Å; I350-V366 HydrophobicContact CD1-CG1 4.15Å; I350-V366 HydrophobicContact CG1-CG1 4.26Å; I350-E371 HydrophobicContact CD1-CB 4.43Å; I350-E371 HydrophobicContact CG2-CB 4.07Å; I350-E371 WeakPolarHBondContact CG2-OE2 3.14Å; I350-I373 HydrophobicContact CD1-CD1 4.33Å; I350-I373 HydrophobicContact CD1-CG1 4.19Å; I350-I373 HydrophobicContact CG1-CD1 4.13Å; I350-I373 HydrophobicContact CG2-CD1 4.29Å |
| 351 | Y | 75.7 | Confident | 86.2 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | trans | -76.4 | 109.2 | 172.9 | -171.2 | -98 | 0 | 0 | 0 | 110.7 | F237 P238 M316 Q353 G368 D369 | F237-Y351 AromaticContact CD1-CE1 3.72Å; F237-Y351 HydrophobicContact CD1-CE1 3.72Å; F237-Y351 AromaticContact CD1-CE2 3.76Å; F237-Y351 HydrophobicContact CD1-CE2 3.76Å; F237-Y351 AromaticContact CD1-CZ 3.29Å; F237-Y351 WeakPolarHBondContact CD1-OH 3.46Å; F237-Y351 AromaticContact CE1-CE1 3.73Å; F237-Y351 HydrophobicContact CE1-CE1 3.73Å; F237-Y351 HydrophobicContact CE1-CE2 4.38Å; F237-Y351 AromaticContact CE1-CZ 3.48Å; F237-Y351 VanDerWaalsContact CE1-CZ 3.48Å; F237-Y351 WeakPolarHBondContact CE1-OH 3.45Å; P238-Y351 HydrophobicContact CG-CD2 3.66Å; P238-Y351 HydrophobicContact CG-CG 4.08Å; M316-Y351 HydrophobicContact CG-CD2 4.22Å; Y351-Q353 HydrophobicContact CD1-CG 4.47Å; Y351-Q353 PolarHBondContact O-N 3.37Å; Y351-Q353 VanDerWaalsContact O-N 3.17Å; Y351-G368 VanDerWaalsContact O-CA 3.24Å; Y351-G368 WeakPolarHBondContact O-CA 3.22Å; Y351-D369 WeakPolarHBondContact CB-OD2 3.46Å; Y351-D369 PolarHBondContact N-OD2 3.28Å | ||
| 352 | P | 82 | Confident | 86.4 | Confident | 7 Ų | 7 | 60 Ų | 60 | 5% | 0.045 | 32% | 0.316 | C | S | . | . | trans | -68.5 | 115.9 | -173.6 | 27.4 | -31.8 | 0 | 0 | 0 | 111.2 | C313 N315 I350 V366 | C313-P352 HydrophobicContact CB-CB 3.59Å; C313-P352 HydrophobicContact CB-CG 3.24Å; C313-P352 WeakPolarHBondContact SG-CB 3.34Å; N315-P352 WeakPolarHBondContact O-CD 3.27Å; N315-P352 WeakPolarHBondContact O-CG 3.47Å; I350-P352 WeakPolarHBondContact O-CD 3.36Å; P352-V366 HydrophobicContact CB-CG1 3.47Å; P352-V366 VanDerWaalsContact CB-CG1 3.47Å | ||
| 353 | Q | 82.2 | Confident | 86.7 | Confident | 109 Ų | 109 | 57.2 Ų | 57.2 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -94.5 | -26 | 171.8 | -63.5 | 177.8 | 13.6 | 0 | 0 | 111.7 | Y351 C367 | Y351-Q353 HydrophobicContact CD1-CG 4.47Å; Y351-Q353 PolarHBondContact O-N 3.37Å; Y351-Q353 VanDerWaalsContact O-N 3.17Å; Q353-C367 WeakPolarHBondContact CA-O 3.28Å; Q353-C367 PolarHBondContact N-O 3.01Å |
| 354 | S | 88.8 | Confident | 87 | Confident | 53 Ų | 53 | 51 Ų | 51 | 37% | 0.371 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.2 | 173.1 | 60.5 | 0 | 0 | 0 | 0 | 110.5 | V366 C367 | S354-V366 WeakPolarHBondContact O-CA 3.3Å; S354-C367 PolarHBondContact N-O 2.84Å; S354-C367 PolarHBondContact O-N 3.28Å |
| 355 | I | 92.8 | Very high | 87.5 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.8 | 171.7 | -171.7 | 173.8 | 0 | 0 | 0 | 107.9 | A301 T303 L311 I318 V364 V365 V366 | A301-I355 HydrophobicContact CB-CG2 4.19Å; A301-I355 VanDerWaalsContact O-CG2 3.27Å; A301-I355 WeakPolarHBondContact O-CG2 3.27Å; T303-I355 HydrophobicContact CG2-CB 4.46Å; T303-I355 HydrophobicContact CG2-CD1 4.32Å; T303-I355 HydrophobicContact CG2-CG1 3.91Å; T303-I355 HydrophobicContact CG2-CG2 4.01Å; L311-I355 HydrophobicContact CB-CD1 3.82Å; I318-I355 HydrophobicContact CG2-CD1 4.44Å; I355-V364 HydrophobicContact CD1-CG2 3.78Å; I355-V364 HydrophobicContact CG1-CG2 3.42Å; I355-V364 VanDerWaalsContact CG1-CG2 3.42Å; I355-V365 VanDerWaalsContact CA-O 3.25Å; I355-V365 WeakPolarHBondContact CA-O 3.4Å; I355-V365 WeakPolarHBondContact CG1-O 3.25Å; I355-V366 HydrophobicContact CD1-CG2 4.26Å; I355-V366 HydrophobicContact CG1-CG2 4.12Å |
| 356 | Q | 94 | Very high | 87.8 | Confident | 84 Ų | 84 | 44.2 Ų | 44.2 | 39% | 0.393 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 128.9 | -178.7 | -160.1 | -172.8 | -8.4 | 0 | 0 | 111.8 | V364 V365 W393 | Q356-V364 WeakPolarHBondContact O-CA 3.39Å; Q356-V365 HydrophobicContact CB-CG1 3.99Å; Q356-V365 PolarHBondContact N-O 2.82Å; Q356-V365 PolarHBondContact O-N 3.1Å; Q356-W393 PolarHBondContact O-NE1 3.28Å |
| 357 | Y | 95.2 | Very high | 88.2 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 144.7 | 164.8 | -80.4 | -67.4 | 0 | 0 | 0 | 111.2 | T303 M304 D305 K309 L311 F363 V364 A377 | T303-Y357 HydrophobicContact CG2-CD2 3.46Å; T303-Y357 VanDerWaalsContact CG2-CD2 3.46Å; T303-Y357 HydrophobicContact CG2-CE2 3.78Å; T303-Y357 HydrophobicContact CG2-CG 4.18Å; T303-Y357 WeakPolarHBondContact OG1-CD2 3.49Å; T303-Y357 PolarHBondContact OG1-N 3.3Å; T303-Y357 VanDerWaalsContact OG1-N 3.08Å; M304-Y357 VanDerWaalsContact C-CD2 3.47Å; D305-Y357 HydrophobicContact CB-CD1 4.32Å; D305-Y357 HydrophobicContact CB-CD2 3.82Å; D305-Y357 HydrophobicContact CB-CE1 4.35Å; D305-Y357 HydrophobicContact CB-CE2 3.86Å; D305-Y357 HydrophobicContact CB-CG 4.05Å; K309-Y357 WeakPolarHBondContact O-CE2 3.34Å; L311-Y357 HydrophobicContact CB-CE2 4.35Å; L311-Y357 HydrophobicContact CD1-CE1 3.83Å; L311-Y357 HydrophobicContact CD1-CE2 4.2Å; L311-Y357 VanDerWaalsContact CD1-CZ 3.47Å; L311-Y357 WeakPolarHBondContact CD1-OH 3.5Å; L311-Y357 HydrophobicContact CG-CE2 4.26Å; L311-Y357 VanDerWaalsContact CG-OH 3.22Å; L311-Y357 WeakPolarHBondContact CG-OH 3.45Å; Y357-F363 WeakPolarHBondContact CA-O 3.28Å; Y357-V364 HydrophobicContact CD1-CB 4.15Å; Y357-V364 HydrophobicContact CD1-CG2 4.5Å; Y357-V364 HydrophobicContact CE1-CB 4.29Å; Y357-A377 HydrophobicContact CD1-CB 4.33Å; Y357-A377 HydrophobicContact CE1-CB 3.68Å |
| 358 | N | 94.5 | Very high | 88.5 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | trans | -71 | 168.5 | 162.8 | 79.4 | -34.1 | 0 | 0 | 0 | 110.4 | N360 G361 R362 F363 W393 P397 | N358-N360 VanDerWaalsContact CG-OD1 3.28Å; N358-N360 PolarHBondContact ND2-OD1 3.41Å; N358-N360 PolarHBondContact O-N 3.24Å; N358-N360 PolarHBondContact OD1-OD1 2.81Å; N358-G361 PolarHBondContact O-N 2.97Å; N358-G361 PolarHBondContact OD1-N 3.37Å; N358-G361 VanDerWaalsContact OD1-N 3.13Å; N358-R362 PolarHBondContact OD1-N 3.4Å; N358-F363 HydrophobicContact CB-CB 4.35Å; N358-F363 PolarHBondContact N-O 3.25Å; N358-F363 PolarHBondContact OD1-N 2.79Å; N358-F363 PolarHBondContact OD1-O 3.44Å; N358-F363 VanDerWaalsContact OD1-O 3.13Å; N358-W393 HydrophobicContact CB-CD2 3.57Å; N358-W393 HydrophobicContact CB-CE3 3.76Å; N358-W393 HydrophobicContact CB-CG 4.1Å; N358-W393 HydrophobicContact CB-CH2 4.1Å; N358-W393 HydrophobicContact CB-CZ2 3.91Å; N358-W393 HydrophobicContact CB-CZ3 4.03Å; N358-P397 PolarHBondContact ND2-O 3.49Å; N358-P397 VanDerWaalsContact ND2-O 3.08Å | ||
| 359 | S | 90.3 | Very high | 88.5 | Confident | 66 Ų | 66 | 41.3 Ų | 41.3 | 46% | 0.462 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.6 | -172.1 | 56 | 0 | 0 | 0 | 0 | 115.7 | K395 P397 | S359-K395 VanDerWaalsContact CB-O 3.27Å; S359-K395 WeakPolarHBondContact CB-O 3.32Å; S359-K395 PolarHBondContact OG-O 3.38Å; S359-P397 WeakPolarHBondContact OG-CA 3.37Å |
| 360 | N | 90.9 | Very high | 88.9 | Confident | 81 Ų | 81 | 36.5 Ų | 36.5 | 43% | 0.433 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 6 | 177.7 | 71.5 | 7.3 | 0 | 0 | 0 | 114.8 | N358 R362 P397 | N358-N360 VanDerWaalsContact CG-OD1 3.28Å; N358-N360 PolarHBondContact ND2-OD1 3.41Å; N358-N360 PolarHBondContact O-N 3.24Å; N358-N360 PolarHBondContact OD1-OD1 2.81Å; N360-R362 PolarHBondContact O-N 2.59Å; N360-R362 WeakPolarHBondContact OD1-CB 3.43Å; N360-R362 PolarHBondContact OD1-N 2.82Å; N360-P397 HydrophobicContact CB-CB 4.22Å; N360-P397 VanDerWaalsContact ND2-CB 3.28Å; N360-P397 WeakPolarHBondContact ND2-CB 3.47Å |
| 361 | G | 92.1 | Very high | 89.4 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 12% | 0.124 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 68.1 | 8.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N358 A377 | N358-G361 PolarHBondContact O-N 2.97Å; N358-G361 PolarHBondContact OD1-N 3.37Å; N358-G361 VanDerWaalsContact OD1-N 3.13Å; G361-A377 WeakPolarHBondContact O-CB 3.45Å |
| 362 | R | 93.7 | Very high | 90.3 | Very high | 167 Ų | 167 | 39 Ų | 39 | 63% | 0.63 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -77.6 | -33.6 | -180 | -176.3 | 177.9 | 177.1 | 176.9 | 1.3 | 112.6 | N358 N360 A377 | N358-R362 PolarHBondContact OD1-N 3.4Å; N360-R362 PolarHBondContact O-N 2.59Å; N360-R362 WeakPolarHBondContact OD1-CB 3.43Å; N360-R362 PolarHBondContact OD1-N 2.82Å; R362-A377 WeakPolarHBondContact O-CB 3.47Å; R362-A377 PolarHBondContact O-N 3.02Å |
| 363 | F | 95.7 | Very high | 90.9 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.4 | -179.1 | -59.3 | -70.5 | 0 | 0 | 0 | 109.7 | Y357 N358 I374 Y375 T376 K383 W393 F415 | Y357-F363 WeakPolarHBondContact CA-O 3.28Å; N358-F363 HydrophobicContact CB-CB 4.35Å; N358-F363 PolarHBondContact N-O 3.25Å; N358-F363 PolarHBondContact OD1-N 2.79Å; N358-F363 PolarHBondContact OD1-O 3.44Å; N358-F363 VanDerWaalsContact OD1-O 3.13Å; F363-I374 HydrophobicContact CB-CG2 3.99Å; F363-I374 HydrophobicContact CD1-CG2 4.31Å; F363-I374 HydrophobicContact CG-CG2 4.37Å; F363-Y375 VanDerWaalsContact CA-O 3.28Å; F363-Y375 WeakPolarHBondContact CA-O 3.4Å; F363-T376 HydrophobicContact CD1-CG2 4.4Å; F363-T376 HydrophobicContact CE1-CG2 4.1Å; F363-K383 HydrophobicContact CD1-CG 4.45Å; F363-K383 HydrophobicContact CE1-CG 3.98Å; F363-W393 HydrophobicContact CB-CH2 4.05Å; F363-W393 HydrophobicContact CB-CZ2 4.19Å; F363-F415 HydrophobicContact CD1-CZ 4.17Å; F363-F415 AromaticContact CD2-CZ 3.8Å; F363-F415 HydrophobicContact CD2-CZ 3.8Å; F363-F415 HydrophobicContact CE1-CE2 4.28Å; F363-F415 AromaticContact CE1-CZ 3.96Å; F363-F415 HydrophobicContact CE1-CZ 3.96Å; F363-F415 AromaticContact CE2-CE2 3.96Å; F363-F415 HydrophobicContact CE2-CE2 3.96Å; F363-F415 AromaticContact CE2-CZ 3.58Å; F363-F415 HydrophobicContact CE2-CZ 3.58Å; F363-F415 HydrophobicContact CG-CZ 4.1Å; F363-F415 AromaticContact CZ-CE2 3.77Å; F363-F415 HydrophobicContact CZ-CE2 3.77Å; F363-F415 AromaticContact CZ-CZ 3.66Å; F363-F415 HydrophobicContact CZ-CZ 3.66Å |
| 364 | V | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134.1 | 171.4 | 64.4 | 0 | 0 | 0 | 0 | 107.5 | T303 L311 I355 Q356 Y357 I374 Y375 I380 | T303-V364 HydrophobicContact CG2-CG2 4.3Å; L311-V364 HydrophobicContact CD1-CB 4.13Å; L311-V364 HydrophobicContact CD1-CG1 4.02Å; L311-V364 HydrophobicContact CD1-CG2 3.99Å; I355-V364 HydrophobicContact CD1-CG2 3.78Å; I355-V364 HydrophobicContact CG1-CG2 3.42Å; I355-V364 VanDerWaalsContact CG1-CG2 3.42Å; Q356-V364 WeakPolarHBondContact O-CA 3.39Å; Y357-V364 HydrophobicContact CD1-CB 4.15Å; Y357-V364 HydrophobicContact CD1-CG2 4.5Å; Y357-V364 HydrophobicContact CE1-CB 4.29Å; V364-I374 CarbonylContact O-C 3.57Å; V364-I374 WeakPolarHBondContact O-CA 3.22Å; V364-Y375 PolarHBondContact N-O 2.97Å; V364-Y375 PolarHBondContact O-N 3.42Å; V364-I380 HydrophobicContact CG1-CD1 4.04Å |
| 365 | V | 95.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 142 | 172.1 | 68.7 | 0 | 0 | 0 | 0 | 109.1 | I355 Q356 Y372 I373 I374 F391 W393 | I355-V365 VanDerWaalsContact CA-O 3.25Å; I355-V365 WeakPolarHBondContact CA-O 3.4Å; I355-V365 WeakPolarHBondContact CG1-O 3.25Å; Q356-V365 HydrophobicContact CB-CG1 3.99Å; Q356-V365 PolarHBondContact N-O 2.82Å; Q356-V365 PolarHBondContact O-N 3.1Å; V365-Y372 HydrophobicContact CG2-CD2 4.26Å; V365-I373 CarbonylContact C-O 3.59Å; V365-I373 WeakPolarHBondContact CA-O 3.04Å; V365-I374 HydrophobicContact CB-CG1 4.35Å; V365-I374 HydrophobicContact CG2-CG1 4.02Å; V365-F391 HydrophobicContact CB-CD1 4.05Å; V365-F391 HydrophobicContact CB-CE1 3.89Å; V365-F391 HydrophobicContact CB-CG 4.47Å; V365-F391 HydrophobicContact CB-CZ 4.12Å; V365-F391 HydrophobicContact CG1-CD1 3.56Å; V365-F391 HydrophobicContact CG1-CE1 3.68Å; V365-F391 HydrophobicContact CG1-CG 4.24Å; V365-F391 HydrophobicContact CG1-CZ 4.41Å; V365-F391 HydrophobicContact CG2-CB 4.48Å; V365-F391 HydrophobicContact CG2-CD1 3.85Å; V365-F391 HydrophobicContact CG2-CD2 3.74Å; V365-F391 HydrophobicContact CG2-CE1 3.96Å; V365-F391 HydrophobicContact CG2-CE2 3.82Å; V365-F391 HydrophobicContact CG2-CG 3.76Å; V365-F391 HydrophobicContact CG2-CZ 3.93Å; V365-W393 HydrophobicContact CB-CZ2 4.05Å; V365-W393 HydrophobicContact CG1-CZ2 4.47Å |
| 366 | V | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.8 | 164.2 | 178.6 | 0 | 0 | 0 | 0 | 106.9 | I318 I350 P352 S354 I355 Y372 I373 Y375 | I318-V366 HydrophobicContact CD1-CG2 3.85Å; I350-V366 HydrophobicContact CD1-CG1 4.15Å; I350-V366 HydrophobicContact CG1-CG1 4.26Å; P352-V366 HydrophobicContact CB-CG1 3.47Å; P352-V366 VanDerWaalsContact CB-CG1 3.47Å; S354-V366 WeakPolarHBondContact O-CA 3.3Å; I355-V366 HydrophobicContact CD1-CG2 4.26Å; I355-V366 HydrophobicContact CG1-CG2 4.12Å; V366-Y372 CarbonylContact O-C 3.5Å; V366-Y372 VanDerWaalsContact O-CA 3.28Å; V366-Y372 WeakPolarHBondContact O-CA 3.49Å; V366-I373 PolarHBondContact N-O 2.81Å; V366-I373 PolarHBondContact O-N 2.92Å; V366-Y375 HydrophobicContact CB-CE2 4.31Å; V366-Y375 HydrophobicContact CG2-CD2 4.21Å; V366-Y375 HydrophobicContact CG2-CE2 3.98Å |
| 367 | C | 91.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.2 | 176.9 | -176 | 0 | 0 | 0 | 0 | 110 | Q353 S354 E371 F391 | Q353-C367 WeakPolarHBondContact CA-O 3.28Å; Q353-C367 PolarHBondContact N-O 3.01Å; S354-C367 PolarHBondContact N-O 2.84Å; S354-C367 PolarHBondContact O-N 3.28Å; C367-E371 WeakPolarHBondContact CA-O 2.96Å; C367-E371 PolarHBondContact SG-O 3.12Å; C367-F391 HydrophobicContact CB-CB 4.24Å |
| 368 | G | 84.6 | Confident | 91.3 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | 155.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y351 G370 E371 | Y351-G368 VanDerWaalsContact O-CA 3.24Å; Y351-G368 WeakPolarHBondContact O-CA 3.22Å; G368-G370 PolarHBondContact O-N 2.9Å; G368-E371 PolarHBondContact N-O 2.75Å; G368-E371 CarbonylContact O-C 3.5Å; G368-E371 WeakPolarHBondContact O-CA 2.89Å; G368-E371 PolarHBondContact O-N 2.87Å |
| 369 | D | 76.2 | Confident | 90.9 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 33% | 0.326 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 28.9 | 177.4 | -57 | -22.5 | 0 | 0 | 0 | 115.9 | Y351 E371 | Y351-D369 WeakPolarHBondContact CB-OD2 3.46Å; Y351-D369 PolarHBondContact N-OD2 3.28Å; D369-E371 VanDerWaalsContact C-N 3.25Å; D369-E371 PolarHBondContact O-N 3.2Å |
| 370 | G | 83.4 | Confident | 90.9 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 15 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G368 S387 A388 | G368-G370 PolarHBondContact O-N 2.9Å; G370-S387 CarbonylContact O-C 3.59Å; G370-S387 VanDerWaalsContact O-CA 3.27Å; G370-S387 WeakPolarHBondContact O-CA 3.05Å; G370-A388 CarbonylContact C-O 3.55Å; G370-A388 VanDerWaalsContact CA-O 3.24Å; G370-A388 WeakPolarHBondContact CA-O 3.31Å; G370-A388 CarbonylContact O-C 3.59Å; G370-A388 PolarHBondContact O-N 3.1Å |
| 371 | E | 90.6 | Very high | 90.9 | Very high | 91 Ų | 91 | 39.9 Ų | 39.9 | 43% | 0.425 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 163 | 177.8 | -62.1 | -171.6 | 154.9 | 0 | 0 | 111.5 | I350 C367 G368 D369 G386 A388 | I350-E371 HydrophobicContact CD1-CB 4.43Å; I350-E371 HydrophobicContact CG2-CB 4.07Å; I350-E371 WeakPolarHBondContact CG2-OE2 3.14Å; C367-E371 WeakPolarHBondContact CA-O 2.96Å; C367-E371 PolarHBondContact SG-O 3.12Å; G368-E371 PolarHBondContact N-O 2.75Å; G368-E371 CarbonylContact O-C 3.5Å; G368-E371 WeakPolarHBondContact O-CA 2.89Å; G368-E371 PolarHBondContact O-N 2.87Å; D369-E371 VanDerWaalsContact C-N 3.25Å; D369-E371 PolarHBondContact O-N 3.2Å; E371-G386 CarbonylContact C-O 3.57Å; E371-G386 VanDerWaalsContact CA-O 3.29Å; E371-G386 WeakPolarHBondContact CA-O 2.93Å; E371-A388 PolarHBondContact N-O 3.18Å |
| 372 | Y | 94.2 | Very high | 90.8 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 148 | 169.1 | 77.6 | -83.9 | 0 | 0 | 0 | 110.5 | V365 V366 I374 F385 G386 A388 F391 Y400 I402 | V365-Y372 HydrophobicContact CG2-CD2 4.26Å; V366-Y372 CarbonylContact O-C 3.5Å; V366-Y372 VanDerWaalsContact O-CA 3.28Å; V366-Y372 WeakPolarHBondContact O-CA 3.49Å; Y372-I374 HydrophobicContact CD2-CD1 4.36Å; Y372-I374 HydrophobicContact CD2-CG1 3.91Å; Y372-I374 HydrophobicContact CE2-CD1 3.95Å; Y372-I374 HydrophobicContact CE2-CG1 3.92Å; Y372-F385 CarbonylContact O-C 3.51Å; Y372-F385 WeakPolarHBondContact O-CA 3.41Å; Y372-F385 WeakPolarHBondContact O-CB 3.19Å; Y372-G386 WeakPolarHBondContact CD1-O 3.43Å; Y372-G386 PolarHBondContact N-O 2.89Å; Y372-G386 PolarHBondContact O-N 3.15Å; Y372-G386 VanDerWaalsContact O-N 3.09Å; Y372-A388 HydrophobicContact CD1-CB 3.49Å; Y372-A388 VanDerWaalsContact CD1-CB 3.49Å; Y372-A388 HydrophobicContact CE1-CB 4.27Å; Y372-A388 HydrophobicContact CG-CB 4.26Å; Y372-F391 AromaticContact CD2-CD2 3.66Å; Y372-F391 HydrophobicContact CD2-CD2 3.66Å; Y372-F391 AromaticContact CD2-CE2 3.7Å; Y372-F391 HydrophobicContact CD2-CE2 3.7Å; Y372-F391 HydrophobicContact CE2-CD2 4.23Å; Y372-F391 AromaticContact CE2-CE2 3.94Å; Y372-F391 HydrophobicContact CE2-CE2 3.94Å; Y372-F391 AromaticContact CG-CD2 3.83Å; Y372-F391 HydrophobicContact CG-CD2 3.83Å; Y372-F391 HydrophobicContact CG-CE2 4.34Å; Y372-Y400 HydrophobicContact CE2-CE2 4.17Å; Y372-I402 HydrophobicContact CD1-CG2 4.1Å; Y372-I402 HydrophobicContact CE1-CD1 3.84Å; Y372-I402 HydrophobicContact CE1-CG2 3.9Å |
| 373 | I | 94.7 | Very high | 90.8 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.046 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 123.8 | 173 | -52 | 174.9 | 0 | 0 | 0 | 108.6 | D349 I350 V365 V366 Y375 N382 F385 | D349-I373 HydrophobicContact CB-CD1 4.37Å; I350-I373 HydrophobicContact CD1-CD1 4.33Å; I350-I373 HydrophobicContact CD1-CG1 4.19Å; I350-I373 HydrophobicContact CG1-CD1 4.13Å; I350-I373 HydrophobicContact CG2-CD1 4.29Å; V365-I373 CarbonylContact C-O 3.59Å; V365-I373 WeakPolarHBondContact CA-O 3.04Å; V366-I373 PolarHBondContact N-O 2.81Å; V366-I373 PolarHBondContact O-N 2.92Å; I373-Y375 HydrophobicContact CB-CE2 3.8Å; I373-Y375 HydrophobicContact CG2-CD1 4.29Å; I373-Y375 HydrophobicContact CG2-CD2 4.07Å; I373-Y375 HydrophobicContact CG2-CE1 3.77Å; I373-Y375 HydrophobicContact CG2-CE2 3.52Å; I373-Y375 HydrophobicContact CG2-CG 4.43Å; I373-N382 WeakPolarHBondContact CG2-ND2 3.24Å; I373-F385 HydrophobicContact CG1-CB 4.17Å; I373-F385 HydrophobicContact CG2-CB 4.46Å |
| 374 | I | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.5 | 172.6 | -54.8 | 176.9 | 0 | 0 | 0 | 108.6 | F363 V364 V365 Y372 K383 S384 F391 W393 Y400 F415 | F363-I374 HydrophobicContact CB-CG2 3.99Å; F363-I374 HydrophobicContact CD1-CG2 4.31Å; F363-I374 HydrophobicContact CG-CG2 4.37Å; V364-I374 CarbonylContact O-C 3.57Å; V364-I374 WeakPolarHBondContact O-CA 3.22Å; V365-I374 HydrophobicContact CB-CG1 4.35Å; V365-I374 HydrophobicContact CG2-CG1 4.02Å; Y372-I374 HydrophobicContact CD2-CD1 4.36Å; Y372-I374 HydrophobicContact CD2-CG1 3.91Å; Y372-I374 HydrophobicContact CE2-CD1 3.95Å; Y372-I374 HydrophobicContact CE2-CG1 3.92Å; I374-K383 HydrophobicContact CG2-CB 4.4Å; I374-K383 WeakPolarHBondContact O-CB 3.17Å; I374-K383 PolarHBondContact O-N 3.27Å; I374-S384 PolarHBondContact N-O 3.41Å; I374-S384 PolarHBondContact O-N 3.12Å; I374-F391 HydrophobicContact CD1-CE2 3.8Å; I374-F391 HydrophobicContact CD1-CZ 3.86Å; I374-F391 HydrophobicContact CG1-CE2 4.08Å; I374-F391 HydrophobicContact CG1-CZ 4.22Å; I374-W393 HydrophobicContact CD1-CH2 3.94Å; I374-W393 HydrophobicContact CD1-CZ2 4.46Å; I374-W393 HydrophobicContact CG1-CH2 4.44Å; I374-W393 HydrophobicContact CG2-CH2 3.97Å; I374-W393 HydrophobicContact CG2-CZ2 4.19Å; I374-Y400 HydrophobicContact CD1-CD1 4.15Å; I374-Y400 HydrophobicContact CD1-CE1 3.73Å; I374-Y400 HydrophobicContact CD1-CE2 4.14Å; I374-F415 HydrophobicContact CD1-CD1 3.87Å; I374-F415 HydrophobicContact CD1-CE1 3.79Å; I374-F415 HydrophobicContact CG2-CE1 4Å |
| 375 | Y | 94.5 | Very high | 90.7 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 4% | 0.043 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 154.5 | 174.7 | -59.8 | -84.7 | 0 | 0 | 0 | 112.1 | I318 C348 F363 V364 V366 I373 A377 I380 R381 N382 | I318-Y375 HydrophobicContact CD1-CE2 4.16Å; C348-Y375 PolarHBondContact SG-OH 3.19Å; F363-Y375 VanDerWaalsContact CA-O 3.28Å; F363-Y375 WeakPolarHBondContact CA-O 3.4Å; V364-Y375 PolarHBondContact N-O 2.97Å; V364-Y375 PolarHBondContact O-N 3.42Å; V366-Y375 HydrophobicContact CB-CE2 4.31Å; V366-Y375 HydrophobicContact CG2-CD2 4.21Å; V366-Y375 HydrophobicContact CG2-CE2 3.98Å; I373-Y375 HydrophobicContact CB-CE2 3.8Å; I373-Y375 HydrophobicContact CG2-CD1 4.29Å; I373-Y375 HydrophobicContact CG2-CD2 4.07Å; I373-Y375 HydrophobicContact CG2-CE1 3.77Å; I373-Y375 HydrophobicContact CG2-CE2 3.52Å; I373-Y375 HydrophobicContact CG2-CG 4.43Å; Y375-A377 PolarHBondContact O-N 3.38Å; Y375-I380 HydrophobicContact CD1-CG2 3.59Å; Y375-I380 WeakPolarHBondContact CD1-O 3.39Å; Y375-I380 HydrophobicContact CD2-CG2 4.22Å; Y375-I380 HydrophobicContact CE1-CG2 4.09Å; Y375-I380 HydrophobicContact CG-CG2 3.66Å; Y375-R381 CarbonylContact C-O 3.5Å; Y375-R381 VanDerWaalsContact CA-O 3.27Å; Y375-R381 WeakPolarHBondContact CA-O 3.46Å; Y375-N382 HydrophobicContact CD1-CB 4.44Å; Y375-N382 HydrophobicContact CE1-CB 4.38Å |
| 376 | T | 94.2 | Very high | 90.6 | Very high | 34 Ų | 34 | 48.5 Ų | 48.5 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 122.5 | 162.1 | 64.7 | 0 | 0 | 0 | 0 | 109.2 | F363 L378 A379 I380 R381 | F363-T376 HydrophobicContact CD1-CG2 4.4Å; F363-T376 HydrophobicContact CE1-CG2 4.1Å; T376-L378 VanDerWaalsContact C-N 3.31Å; T376-L378 PolarHBondContact O-N 2.85Å; T376-A379 PolarHBondContact O-N 3.46Å; T376-I380 WeakPolarHBondContact O-CA 3.18Å; T376-I380 PolarHBondContact O-N 3.14Å; T376-R381 PolarHBondContact N-O 2.8Å; T376-R381 PolarHBondContact OG1-N 3.37Å |
| 377 | A | 89.9 | Confident | 90.5 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -38.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y357 G361 R362 Y375 I380 | Y357-A377 HydrophobicContact CD1-CB 4.33Å; Y357-A377 HydrophobicContact CE1-CB 3.68Å; G361-A377 WeakPolarHBondContact O-CB 3.45Å; R362-A377 WeakPolarHBondContact O-CB 3.47Å; R362-A377 PolarHBondContact O-N 3.02Å; Y375-A377 PolarHBondContact O-N 3.38Å; A377-I380 WeakPolarHBondContact O-CD1 3.24Å |
| 378 | L | 87 | Confident | 90.6 | Very high | 142 Ų | 142 | 51.5 Ų | 51.5 | 74% | 0.743 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -36.4 | -173.4 | -173.8 | 68.4 | 0 | 0 | 0 | 113.7 | T376 | T376-L378 VanDerWaalsContact C-N 3.31Å; T376-L378 PolarHBondContact O-N 2.85Å |
| 379 | A | 86.6 | Confident | 90.8 | Very high | 49 Ų | 49 | 55.4 Ų | 55.4 | 41% | 0.405 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | 2.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T376 R381 | T376-A379 PolarHBondContact O-N 3.46Å; A379-R381 HydrophobicContact CB-CG 4.14Å; A379-R381 PolarHBondContact O-N 3.15Å |
| 380 | I | 89.4 | Confident | 91.5 | Very high | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.8 | 47 | -174.4 | -47.7 | -63 | 0 | 0 | 0 | 112.6 | L311 I318 M345 C346 V364 Y375 T376 A377 | L311-I380 HydrophobicContact CD1-CD1 4.17Å; I318-I380 HydrophobicContact CD1-CG2 4.26Å; M345-I380 HydrophobicContact CB-CG1 4.02Å; M345-I380 HydrophobicContact CE-CG1 3.73Å; C346-I380 WeakPolarHBondContact SG-CG2 3.34Å; V364-I380 HydrophobicContact CG1-CD1 4.04Å; Y375-I380 HydrophobicContact CD1-CG2 3.59Å; Y375-I380 WeakPolarHBondContact CD1-O 3.39Å; Y375-I380 HydrophobicContact CD2-CG2 4.22Å; Y375-I380 HydrophobicContact CE1-CG2 4.09Å; Y375-I380 HydrophobicContact CG-CG2 3.66Å; T376-I380 WeakPolarHBondContact O-CA 3.18Å; T376-I380 PolarHBondContact O-N 3.14Å; A377-I380 WeakPolarHBondContact O-CD1 3.24Å |
| 381 | R | 90.3 | Very high | 92.1 | Very high | 175 Ų | 175 | 54.3 Ų | 54.3 | 66% | 0.66 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.8 | 175.1 | -69.8 | -173 | -75.4 | -156.4 | -4.9 | 110.5 | Y375 T376 A379 K383 | Y375-R381 CarbonylContact C-O 3.5Å; Y375-R381 VanDerWaalsContact CA-O 3.27Å; Y375-R381 WeakPolarHBondContact CA-O 3.46Å; T376-R381 PolarHBondContact N-O 2.8Å; T376-R381 PolarHBondContact OG1-N 3.37Å; A379-R381 HydrophobicContact CB-CG 4.14Å; A379-R381 PolarHBondContact O-N 3.15Å; R381-K383 PolarHBondContact O-N 3.36Å |
| 382 | N | 91.3 | Very high | 92.4 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 128.9 | 178.4 | -172.1 | -41.8 | 0 | 0 | 0 | 110.2 | I373 Y375 S384 | I373-N382 WeakPolarHBondContact CG2-ND2 3.24Å; Y375-N382 HydrophobicContact CD1-CB 4.44Å; Y375-N382 HydrophobicContact CE1-CB 4.38Å; N382-S384 PolarHBondContact OD1-N 2.78Å |
| 383 | K | 93.9 | Very high | 92.5 | Very high | 110 Ų | 110 | 50.8 Ų | 50.8 | 48% | 0.478 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -38.4 | 179.2 | -177.4 | 58.5 | -173.3 | 163.1 | 0 | 112.5 | F363 I374 R381 F415 | F363-K383 HydrophobicContact CD1-CG 4.45Å; F363-K383 HydrophobicContact CE1-CG 3.98Å; I374-K383 HydrophobicContact CG2-CB 4.4Å; I374-K383 WeakPolarHBondContact O-CB 3.17Å; I374-K383 PolarHBondContact O-N 3.27Å; R381-K383 PolarHBondContact O-N 3.36Å; K383-F415 HydrophobicContact CG-CD1 4.28Å; K383-F415 HydrophobicContact CG-CD2 4.12Å; K383-F415 HydrophobicContact CG-CE1 4.22Å; K383-F415 HydrophobicContact CG-CE2 4.04Å; K383-F415 HydrophobicContact CG-CG 4.24Å; K383-F415 HydrophobicContact CG-CZ 4.1Å |
| 384 | S | 94.1 | Very high | 92.5 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 152.1 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | I374 N382 | I374-S384 PolarHBondContact N-O 3.41Å; I374-S384 PolarHBondContact O-N 3.12Å; N382-S384 PolarHBondContact OD1-N 2.78Å |
| 385 | F | 93.9 | Very high | 92.3 | Very high | 149 Ų | 149 | 54.8 Ų | 54.8 | 65% | 0.654 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 163.3 | 176.6 | 60.1 | -86.3 | 0 | 0 | 0 | 109.5 | Y372 I373 | Y372-F385 CarbonylContact O-C 3.51Å; Y372-F385 WeakPolarHBondContact O-CA 3.41Å; Y372-F385 WeakPolarHBondContact O-CB 3.19Å; I373-F385 HydrophobicContact CG1-CB 4.17Å; I373-F385 HydrophobicContact CG2-CB 4.46Å |
| 386 | G | 93.2 | Very high | 92.2 | Very high | 23 Ų | 23 | 59 Ų | 59 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | -179 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | E371 Y372 | E371-G386 CarbonylContact C-O 3.57Å; E371-G386 VanDerWaalsContact CA-O 3.29Å; E371-G386 WeakPolarHBondContact CA-O 2.93Å; Y372-G386 WeakPolarHBondContact CD1-O 3.43Å; Y372-G386 PolarHBondContact N-O 2.89Å; Y372-G386 PolarHBondContact O-N 3.15Å; Y372-G386 VanDerWaalsContact O-N 3.09Å |
| 387 | S | 91.9 | Very high | 91.9 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129.5 | 175.5 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | G370 | G370-S387 CarbonylContact O-C 3.59Å; G370-S387 VanDerWaalsContact O-CA 3.27Å; G370-S387 WeakPolarHBondContact O-CA 3.05Å |
| 388 | A | 92.4 | Very high | 92 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | trans | -156.7 | 135.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G370 E371 Y372 I402 | G370-A388 CarbonylContact C-O 3.55Å; G370-A388 VanDerWaalsContact CA-O 3.24Å; G370-A388 WeakPolarHBondContact CA-O 3.31Å; G370-A388 CarbonylContact O-C 3.59Å; G370-A388 PolarHBondContact O-N 3.1Å; E371-A388 PolarHBondContact N-O 3.18Å; Y372-A388 HydrophobicContact CD1-CB 3.49Å; Y372-A388 VanDerWaalsContact CD1-CB 3.49Å; Y372-A388 HydrophobicContact CE1-CB 4.27Å; Y372-A388 HydrophobicContact CG-CB 4.26Å; A388-I402 HydrophobicContact CB-CB 3.8Å; A388-I402 HydrophobicContact CB-CD1 4.39Å; A388-I402 HydrophobicContact CB-CG2 4.06Å | ||
| 389 | L | 89.2 | Confident | 92.4 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 43% | 0.429 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -77.7 | -34.7 | 167.8 | -62.2 | 175 | 0 | 0 | 0 | 111.3 | R403 | L389-R403 WeakPolarHBondContact CB-O 3.13Å; L389-R403 PolarHBondContact N-O 3.26Å |
| 390 | E | 92.2 | Very high | 92.9 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152 | 176.1 | -76.6 | 163.3 | -135.9 | 0 | 0 | 110.6 | I402 R403 G429 I430 | E390-I402 CarbonylContact O-C 3.49Å; E390-I402 VanDerWaalsContact O-CA 3.3Å; E390-I402 WeakPolarHBondContact O-CA 3.46Å; E390-R403 HydrophobicContact CB-CB 4.12Å; E390-R403 PolarHBondContact O-N 2.77Å; E390-R403 IonicContact OE1-CZ 3.21Å; E390-R403 IonicContact OE1-NE 2.72Å; E390-R403 PolarHBondContact OE1-NE 2.88Å; E390-R403 VanDerWaalsContact OE1-NE 3.11Å; E390-R403 IonicContact OE1-NH2 3.47Å; E390-R403 PolarHBondContact OE1-NH2 3.01Å; E390-R403 IonicContact OE2-NE 3.83Å; E390-G429 WeakPolarHBondContact OE2-CA 3.49Å; E390-I430 HydrophobicContact CB-CD1 4.25Å; E390-I430 HydrophobicContact CB-CG1 3.96Å; E390-I430 PolarHBondContact OE2-N 3.35Å |
| 391 | F | 95.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.1 | 179.2 | -177.5 | -73.3 | 0 | 0 | 0 | 109.6 | V365 C367 Y372 I374 W393 Y400 I402 | V365-F391 HydrophobicContact CB-CD1 4.05Å; V365-F391 HydrophobicContact CB-CE1 3.89Å; V365-F391 HydrophobicContact CB-CG 4.47Å; V365-F391 HydrophobicContact CB-CZ 4.12Å; V365-F391 HydrophobicContact CG1-CD1 3.56Å; V365-F391 HydrophobicContact CG1-CE1 3.68Å; V365-F391 HydrophobicContact CG1-CG 4.24Å; V365-F391 HydrophobicContact CG1-CZ 4.41Å; V365-F391 HydrophobicContact CG2-CB 4.48Å; V365-F391 HydrophobicContact CG2-CD1 3.85Å; V365-F391 HydrophobicContact CG2-CD2 3.74Å; V365-F391 HydrophobicContact CG2-CE1 3.96Å; V365-F391 HydrophobicContact CG2-CE2 3.82Å; V365-F391 HydrophobicContact CG2-CG 3.76Å; V365-F391 HydrophobicContact CG2-CZ 3.93Å; C367-F391 HydrophobicContact CB-CB 4.24Å; Y372-F391 AromaticContact CD2-CD2 3.66Å; Y372-F391 HydrophobicContact CD2-CD2 3.66Å; Y372-F391 AromaticContact CD2-CE2 3.7Å; Y372-F391 HydrophobicContact CD2-CE2 3.7Å; Y372-F391 HydrophobicContact CE2-CD2 4.23Å; Y372-F391 AromaticContact CE2-CE2 3.94Å; Y372-F391 HydrophobicContact CE2-CE2 3.94Å; Y372-F391 AromaticContact CG-CD2 3.83Å; Y372-F391 HydrophobicContact CG-CD2 3.83Å; Y372-F391 HydrophobicContact CG-CE2 4.34Å; I374-F391 HydrophobicContact CD1-CE2 3.8Å; I374-F391 HydrophobicContact CD1-CZ 3.86Å; I374-F391 HydrophobicContact CG1-CE2 4.08Å; I374-F391 HydrophobicContact CG1-CZ 4.22Å; F391-W393 AromaticContact CE1-CD1 3.9Å; F391-W393 AromaticContact CE1-CD2 3.68Å; F391-W393 HydrophobicContact CE1-CD2 3.68Å; F391-W393 AromaticContact CE1-CE2 3.48Å; F391-W393 VanDerWaalsContact CE1-CE2 3.48Å; F391-W393 HydrophobicContact CE1-CE3 4.27Å; F391-W393 AromaticContact CE1-CG 3.95Å; F391-W393 HydrophobicContact CE1-CG 3.95Å; F391-W393 HydrophobicContact CE1-CH2 4.46Å; F391-W393 AromaticContact CE1-CZ2 3.91Å; F391-W393 HydrophobicContact CE1-CZ2 3.91Å; F391-W393 AromaticContact CE1-NE1 3.64Å; F391-W393 HydrophobicContact CZ-CD2 4.11Å; F391-W393 AromaticContact CZ-CE2 3.86Å; F391-W393 HydrophobicContact CZ-CE3 4.29Å; F391-W393 HydrophobicContact CZ-CH2 4.01Å; F391-W393 AromaticContact CZ-CZ2 3.81Å; F391-W393 HydrophobicContact CZ-CZ2 3.81Å; F391-W393 HydrophobicContact CZ-CZ3 4.24Å; F391-Y400 HydrophobicContact CD2-CD2 4.11Å; F391-Y400 HydrophobicContact CE1-CG 4.43Å; F391-Y400 AromaticContact CE2-CD2 3.2Å; F391-Y400 HydrophobicContact CE2-CD2 3.2Å; F391-Y400 AromaticContact CE2-CE2 3.68Å; F391-Y400 HydrophobicContact CE2-CE2 3.68Å; F391-Y400 AromaticContact CE2-CG 3.73Å; F391-Y400 HydrophobicContact CE2-CG 3.73Å; F391-Y400 VanDerWaalsContact CZ-CB 3.42Å; F391-Y400 HydrophobicContact CZ-CD1 4.25Å; F391-Y400 AromaticContact CZ-CD2 3.49Å; F391-Y400 HydrophobicContact CZ-CD2 3.49Å; F391-Y400 VanDerWaalsContact CZ-CD2 3.49Å; F391-Y400 HydrophobicContact CZ-CE2 4.27Å; F391-Y400 AromaticContact CZ-CG 3.47Å; F391-Y400 HydrophobicContact CZ-CG 3.47Å; F391-Y400 VanDerWaalsContact CZ-CG 3.47Å; F391-I402 HydrophobicContact CD2-CG2 3.57Å; F391-I402 HydrophobicContact CE2-CG2 4.14Å; F391-I402 HydrophobicContact CG-CG2 4.38Å |
| 392 | V | 96.3 | Very high | 93.5 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 142 | 172.2 | -65.7 | 0 | 0 | 0 | 0 | 112.6 | Y400 A401 I430 L436 W449 | V392-Y400 CarbonylContact O-C 3.56Å; V392-Y400 VanDerWaalsContact O-CA 3.31Å; V392-Y400 WeakPolarHBondContact O-CA 3.3Å; V392-Y400 WeakPolarHBondContact O-CB 3.29Å; V392-A401 HydrophobicContact CG2-CB 3.99Å; V392-A401 PolarHBondContact N-O 2.93Å; V392-A401 PolarHBondContact O-N 2.93Å; V392-I430 HydrophobicContact CG1-CD1 4.44Å; V392-I430 HydrophobicContact CG1-CG1 4.03Å; V392-I430 WeakPolarHBondContact CG1-O 3.21Å; V392-I430 HydrophobicContact CG2-CB 4.38Å; V392-I430 HydrophobicContact CG2-CD1 3.8Å; V392-I430 HydrophobicContact CG2-CG1 4.04Å; V392-L436 HydrophobicContact CG2-CD1 4.03Å; V392-W449 HydrophobicContact CG2-CH2 4.17Å |
| 393 | W | 96.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 3% | 0.034 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 144.7 | 172.5 | -69.3 | 109 | 0 | 0 | 0 | 112 | Q356 N358 F363 V365 I374 F391 Y400 F415 G432 G433 | Q356-W393 PolarHBondContact O-NE1 3.28Å; N358-W393 HydrophobicContact CB-CD2 3.57Å; N358-W393 HydrophobicContact CB-CE3 3.76Å; N358-W393 HydrophobicContact CB-CG 4.1Å; N358-W393 HydrophobicContact CB-CH2 4.1Å; N358-W393 HydrophobicContact CB-CZ2 3.91Å; N358-W393 HydrophobicContact CB-CZ3 4.03Å; F363-W393 HydrophobicContact CB-CH2 4.05Å; F363-W393 HydrophobicContact CB-CZ2 4.19Å; V365-W393 HydrophobicContact CB-CZ2 4.05Å; V365-W393 HydrophobicContact CG1-CZ2 4.47Å; I374-W393 HydrophobicContact CD1-CH2 3.94Å; I374-W393 HydrophobicContact CD1-CZ2 4.46Å; I374-W393 HydrophobicContact CG1-CH2 4.44Å; I374-W393 HydrophobicContact CG2-CH2 3.97Å; I374-W393 HydrophobicContact CG2-CZ2 4.19Å; F391-W393 AromaticContact CE1-CD1 3.9Å; F391-W393 AromaticContact CE1-CD2 3.68Å; F391-W393 HydrophobicContact CE1-CD2 3.68Å; F391-W393 AromaticContact CE1-CE2 3.48Å; F391-W393 VanDerWaalsContact CE1-CE2 3.48Å; F391-W393 HydrophobicContact CE1-CE3 4.27Å; F391-W393 AromaticContact CE1-CG 3.95Å; F391-W393 HydrophobicContact CE1-CG 3.95Å; F391-W393 HydrophobicContact CE1-CH2 4.46Å; F391-W393 AromaticContact CE1-CZ2 3.91Å; F391-W393 HydrophobicContact CE1-CZ2 3.91Å; F391-W393 AromaticContact CE1-NE1 3.64Å; F391-W393 HydrophobicContact CZ-CD2 4.11Å; F391-W393 AromaticContact CZ-CE2 3.86Å; F391-W393 HydrophobicContact CZ-CE3 4.29Å; F391-W393 HydrophobicContact CZ-CH2 4.01Å; F391-W393 AromaticContact CZ-CZ2 3.81Å; F391-W393 HydrophobicContact CZ-CZ2 3.81Å; F391-W393 HydrophobicContact CZ-CZ3 4.24Å; W393-Y400 HydrophobicContact CH2-CD1 4.5Å; W393-Y400 AromaticContact CZ3-CD1 3.9Å; W393-Y400 HydrophobicContact CZ3-CD1 3.9Å; W393-Y400 HydrophobicContact CZ3-CG 4.29Å; W393-F415 HydrophobicContact CH2-CE1 4.38Å; W393-G432 WeakPolarHBondContact O-CA 3.4Å; W393-G433 PolarHBondContact O-N 3.48Å |
| 394 | A | 95.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -76.2 | 167.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E396 M399 W449 | A394-E396 PolarHBondContact O-N 2.87Å; A394-M399 HydrophobicContact CB-CB 3.72Å; A394-M399 WeakPolarHBondContact CB-O 3.15Å; A394-M399 PolarHBondContact N-O 3.29Å; A394-W449 HydrophobicContact CB-CD2 3.7Å; A394-W449 HydrophobicContact CB-CE3 4.02Å; A394-W449 HydrophobicContact CB-CG 4.22Å; A394-W449 HydrophobicContact CB-CH2 4Å; A394-W449 HydrophobicContact CB-CZ2 3.7Å; A394-W449 HydrophobicContact CB-CZ3 4.15Å |
| 395 | K | 90.9 | Very high | 93.4 | Very high | 89 Ų | 89 | 40.6 Ų | 40.6 | 39% | 0.387 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -57.1 | -39 | 166.4 | -171.1 | 176.5 | -172.1 | 176.1 | 0 | 110.5 | S359 G433 E469 D471 | S359-K395 VanDerWaalsContact CB-O 3.27Å; S359-K395 WeakPolarHBondContact CB-O 3.32Å; S359-K395 PolarHBondContact OG-O 3.38Å; K395-G433 PolarHBondContact N-O 2.97Å; K395-E469 PolarHBondContact NZ-O 3.45Å; K395-D471 IonicContact NZ-OD1 2.68Å; K395-D471 PolarHBondContact NZ-OD1 2.94Å; K395-D471 IonicContact NZ-OD2 3.87Å |
| 396 | E | 91.3 | Very high | 93 | Very high | 100 Ų | 100 | 34.6 Ų | 34.6 | 47% | 0.467 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -71.2 | 126.8 | 172.7 | -65.5 | -174.3 | -177.5 | 0 | 0 | 111.3 | A394 N398 M399 | A394-E396 PolarHBondContact O-N 2.87Å; E396-N398 PolarHBondContact O-N 3.24Å; E396-M399 PolarHBondContact O-N 2.95Å |
| 397 | P | 89.6 | Confident | 92.8 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 29% | 0.286 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -10.3 | -167.3 | 27 | -35.9 | 0 | 0 | 0 | 114.9 | N358 S359 N360 | N358-P397 PolarHBondContact ND2-O 3.49Å; N358-P397 VanDerWaalsContact ND2-O 3.08Å; S359-P397 WeakPolarHBondContact OG-CA 3.37Å; N360-P397 HydrophobicContact CB-CB 4.22Å; N360-P397 VanDerWaalsContact ND2-CB 3.28Å; N360-P397 WeakPolarHBondContact ND2-CB 3.47Å |
| 398 | N | 91.2 | Very high | 92.9 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 4.3 | -177.1 | 65.2 | -31.5 | 0 | 0 | 0 | 113.4 | E396 N414 | E396-N398 PolarHBondContact O-N 3.24Å; N398-N414 WeakPolarHBondContact CB-OD1 3.31Å; N398-N414 PolarHBondContact ND2-OD1 2.77Å; N398-N414 PolarHBondContact O-N 3.23Å |
| 399 | M | 94.9 | Very high | 93 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.2 | 177.9 | -69.2 | -173.9 | 72.3 | 0 | 0 | 111.2 | A394 E396 I411 F412 Q413 W449 | A394-M399 HydrophobicContact CB-CB 3.72Å; A394-M399 WeakPolarHBondContact CB-O 3.15Å; A394-M399 PolarHBondContact N-O 3.29Å; E396-M399 PolarHBondContact O-N 2.95Å; M399-I411 HydrophobicContact CE-CG2 3.89Å; M399-F412 WeakPolarHBondContact CA-O 3.46Å; M399-Q413 HydrophobicContact CG-CB 4.14Å; M399-Q413 HydrophobicContact CG-CG 3.79Å; M399-Q413 HydrophobicContact SD-CG 4.25Å; M399-W449 HydrophobicContact CE-CB 3.8Å; M399-W449 WeakPolarHBondContact CE-O 3.48Å |
| 400 | Y | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 159.9 | 176.1 | 61.6 | -88.6 | 0 | 0 | 0 | 110.6 | Y372 I374 F391 V392 W393 I402 I411 F412 F415 | Y372-Y400 HydrophobicContact CE2-CE2 4.17Å; I374-Y400 HydrophobicContact CD1-CD1 4.15Å; I374-Y400 HydrophobicContact CD1-CE1 3.73Å; I374-Y400 HydrophobicContact CD1-CE2 4.14Å; F391-Y400 HydrophobicContact CD2-CD2 4.11Å; F391-Y400 HydrophobicContact CE1-CG 4.43Å; F391-Y400 AromaticContact CE2-CD2 3.2Å; F391-Y400 HydrophobicContact CE2-CD2 3.2Å; F391-Y400 AromaticContact CE2-CE2 3.68Å; F391-Y400 HydrophobicContact CE2-CE2 3.68Å; F391-Y400 AromaticContact CE2-CG 3.73Å; F391-Y400 HydrophobicContact CE2-CG 3.73Å; F391-Y400 VanDerWaalsContact CZ-CB 3.42Å; F391-Y400 HydrophobicContact CZ-CD1 4.25Å; F391-Y400 AromaticContact CZ-CD2 3.49Å; F391-Y400 HydrophobicContact CZ-CD2 3.49Å; F391-Y400 VanDerWaalsContact CZ-CD2 3.49Å; F391-Y400 HydrophobicContact CZ-CE2 4.27Å; F391-Y400 AromaticContact CZ-CG 3.47Å; F391-Y400 HydrophobicContact CZ-CG 3.47Å; F391-Y400 VanDerWaalsContact CZ-CG 3.47Å; V392-Y400 CarbonylContact O-C 3.56Å; V392-Y400 VanDerWaalsContact O-CA 3.31Å; V392-Y400 WeakPolarHBondContact O-CA 3.3Å; V392-Y400 WeakPolarHBondContact O-CB 3.29Å; W393-Y400 HydrophobicContact CH2-CD1 4.5Å; W393-Y400 AromaticContact CZ3-CD1 3.9Å; W393-Y400 HydrophobicContact CZ3-CD1 3.9Å; W393-Y400 HydrophobicContact CZ3-CG 4.29Å; Y400-I402 HydrophobicContact CD2-CG2 4.14Å; Y400-I402 HydrophobicContact CE2-CG2 4.26Å; Y400-I411 CarbonylContact O-C 3.54Å; Y400-I411 WeakPolarHBondContact O-CA 3.21Å; Y400-F412 HydrophobicContact CD1-CB 3.99Å; Y400-F412 HydrophobicContact CD2-CB 4Å; Y400-F412 AromaticContact CD2-CD2 3.92Å; Y400-F412 HydrophobicContact CD2-CD2 3.92Å; Y400-F412 HydrophobicContact CD2-CG 4.24Å; Y400-F412 HydrophobicContact CE1-CB 3.48Å; Y400-F412 VanDerWaalsContact CE1-CB 3.48Å; Y400-F412 HydrophobicContact CE1-CG 4.23Å; Y400-F412 HydrophobicContact CE2-CB 3.5Å; Y400-F412 VanDerWaalsContact CE2-CB 3.5Å; Y400-F412 HydrophobicContact CE2-CD1 4.26Å; Y400-F412 AromaticContact CE2-CD2 3.32Å; Y400-F412 HydrophobicContact CE2-CD2 3.32Å; Y400-F412 HydrophobicContact CE2-CE2 4.05Å; Y400-F412 AromaticContact CE2-CG 3.44Å; Y400-F412 HydrophobicContact CE2-CG 3.44Å; Y400-F412 VanDerWaalsContact CE2-CG 3.44Å; Y400-F412 HydrophobicContact CG-CB 4.23Å; Y400-F412 AromaticContact CZ-CD1 3.99Å; Y400-F412 AromaticContact CZ-CD2 3.86Å; Y400-F412 AromaticContact CZ-CG 3.43Å; Y400-F412 VanDerWaalsContact CZ-CG 3.43Å; Y400-F412 PolarHBondContact N-O 2.88Å; Y400-F412 VanDerWaalsContact N-O 3.11Å; Y400-F412 PolarHBondContact O-N 2.87Å; Y400-F412 WeakPolarHBondContact OH-CB 3.36Å; Y400-F412 WeakPolarHBondContact OH-CD1 3.39Å; Y400-F412 WeakPolarHBondContact OH-CG 3.49Å; Y400-F415 AromaticContact CE1-CD1 3.63Å; Y400-F415 HydrophobicContact CE1-CD1 3.63Å; Y400-F415 HydrophobicContact CE1-CE1 4.06Å |
| 401 | A | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 149.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V392 I409 K410 I411 I430 L436 W449 | V392-A401 HydrophobicContact CG2-CB 3.99Å; V392-A401 PolarHBondContact N-O 2.93Å; V392-A401 PolarHBondContact O-N 2.93Å; A401-I409 HydrophobicContact CB-CG2 4.38Å; A401-K410 CarbonylContact C-O 3.49Å; A401-K410 VanDerWaalsContact CA-O 3.26Å; A401-K410 WeakPolarHBondContact CA-O 3.16Å; A401-I411 HydrophobicContact CB-CG1 4.2Å; A401-I430 HydrophobicContact CB-CD1 4.47Å; A401-L436 HydrophobicContact CB-CD1 3.76Å; A401-L436 HydrophobicContact CB-CD2 4.18Å; A401-W449 HydrophobicContact CB-CH2 3.78Å; A401-W449 HydrophobicContact CB-CZ3 3.56Å |
| 402 | I | 96.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 148.2 | 170.2 | 69 | 179.3 | 0 | 0 | 0 | 110.3 | Y372 A388 E390 F391 Y400 I409 K410 F412 | Y372-I402 HydrophobicContact CD1-CG2 4.1Å; Y372-I402 HydrophobicContact CE1-CD1 3.84Å; Y372-I402 HydrophobicContact CE1-CG2 3.9Å; A388-I402 HydrophobicContact CB-CB 3.8Å; A388-I402 HydrophobicContact CB-CD1 4.39Å; A388-I402 HydrophobicContact CB-CG2 4.06Å; E390-I402 CarbonylContact O-C 3.49Å; E390-I402 VanDerWaalsContact O-CA 3.3Å; E390-I402 WeakPolarHBondContact O-CA 3.46Å; F391-I402 HydrophobicContact CD2-CG2 3.57Å; F391-I402 HydrophobicContact CE2-CG2 4.14Å; F391-I402 HydrophobicContact CG-CG2 4.38Å; Y400-I402 HydrophobicContact CD2-CG2 4.14Å; Y400-I402 HydrophobicContact CE2-CG2 4.26Å; I402-I409 WeakPolarHBondContact O-CA 3.45Å; I402-K410 HydrophobicContact CD1-CB 4.4Å; I402-K410 HydrophobicContact CG1-CB 3.93Å; I402-K410 PolarHBondContact N-O 2.95Å; I402-K410 PolarHBondContact O-N 3.05Å; I402-F412 HydrophobicContact CD1-CE2 3.54Å; I402-F412 HydrophobicContact CD1-CZ 4Å; I402-F412 HydrophobicContact CG1-CE2 3.82Å |
| 403 | R | 95.6 | Very high | 93.4 | Very high | 34 Ų | 34 | 36.2 Ų | 36.2 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 99.7 | 164.7 | -174.3 | 172.3 | 71.8 | 82.3 | -2.3 | 107.5 | L389 E390 S405 I427 I430 | L389-R403 WeakPolarHBondContact CB-O 3.13Å; L389-R403 PolarHBondContact N-O 3.26Å; E390-R403 HydrophobicContact CB-CB 4.12Å; E390-R403 PolarHBondContact O-N 2.77Å; E390-R403 IonicContact OE1-CZ 3.21Å; E390-R403 IonicContact OE1-NE 2.72Å; E390-R403 PolarHBondContact OE1-NE 2.88Å; E390-R403 VanDerWaalsContact OE1-NE 3.11Å; E390-R403 IonicContact OE1-NH2 3.47Å; E390-R403 PolarHBondContact OE1-NH2 3.01Å; E390-R403 IonicContact OE2-NE 3.83Å; R403-S405 WeakPolarHBondContact CG-O 3.33Å; R403-I427 VanDerWaalsContact CD-CG2 3.42Å; R403-I427 HydrophobicContact CG-CG2 4.18Å; R403-I430 HydrophobicContact CB-CD1 3.95Å; R403-I430 HydrophobicContact CB-CG1 4.33Å; R403-I430 HydrophobicContact CB-CG2 4.42Å |
| 404 | E | 91.4 | Very high | 93.3 | Very high | 77 Ų | 77 | 39.7 Ų | 39.7 | 36% | 0.36 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -35.7 | -178.7 | -176.9 | 176.7 | -115 | 0 | 0 | 111.2 | S408 K410 | E404-S408 PolarHBondContact N-O 3.02Å; E404-K410 IonicContact OE1-NZ 3.4Å; E404-K410 PolarHBondContact OE1-NZ 3.31Å; E404-K410 WeakPolarHBondContact OE2-CE 3.25Å; E404-K410 IonicContact OE2-NZ 2.76Å; E404-K410 PolarHBondContact OE2-NZ 3.17Å |
| 405 | S | 88.8 | Confident | 93.1 | Very high | 39 Ų | 39 | 41.4 Ų | 41.4 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | -179.8 | -179.7 | 73.6 | 0 | 0 | 0 | 0 | 110.9 | R403 S407 S408 | R403-S405 WeakPolarHBondContact CG-O 3.33Å; S405-S407 PolarHBondContact O-N 2.87Å; S405-S407 VanDerWaalsContact O-N 3.1Å; S405-S407 PolarHBondContact OG-N 3.43Å; S405-S407 PolarHBondContact OG-OG 2.75Å; S405-S408 WeakPolarHBondContact OG-CB 3.09Å; S405-S408 PolarHBondContact OG-N 2.73Å |
| 406 | G | 86.7 | Confident | 93 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 24% | 0.237 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -4.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I427 | G406-I427 PolarHBondContact O-N 3Š|
| 407 | S | 88.9 | Confident | 92.7 | Very high | 99 Ų | 99 | 46.2 Ų | 46.2 | 69% | 0.692 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -131.6 | 0.8 | -177.4 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | S405 | S405-S407 PolarHBondContact O-N 2.87Å; S405-S407 VanDerWaalsContact O-N 3.1Å; S405-S407 PolarHBondContact OG-N 3.43Å; S405-S407 PolarHBondContact OG-OG 2.75Å |
| 408 | S | 92.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 124.4 | -173.3 | -167.5 | 0 | 0 | 0 | 0 | 112.7 | E404 S405 | E404-S408 PolarHBondContact N-O 3.02Å; S405-S408 WeakPolarHBondContact OG-CB 3.09Å; S405-S408 PolarHBondContact OG-N 2.73Å |
| 409 | I | 95.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.2 | 168.6 | -65 | 161.8 | 0 | 0 | 0 | 108.9 | A401 I402 A420 V421 V423 I427 I430 L436 V438 | A401-I409 HydrophobicContact CB-CG2 4.38Å; I402-I409 WeakPolarHBondContact O-CA 3.45Å; I409-A420 WeakPolarHBondContact O-CA 3.49Å; I409-V421 HydrophobicContact CB-CB 4.28Å; I409-V421 HydrophobicContact CG2-CB 4.27Å; I409-V421 HydrophobicContact CG2-CG2 4.17Å; I409-V421 PolarHBondContact O-N 3.05Å; I409-V423 HydrophobicContact CD1-CG2 4.07Å; I409-I427 HydrophobicContact CD1-CD1 3.67Å; I409-I427 HydrophobicContact CD1-CG1 4Å; I409-I427 HydrophobicContact CD1-CG2 3.98Å; I409-I427 HydrophobicContact CG1-CD1 3.72Å; I409-I427 HydrophobicContact CG1-CG1 4.48Å; I409-I427 HydrophobicContact CG1-CG2 4.37Å; I409-I430 HydrophobicContact CD1-CG2 3.69Å; I409-I430 HydrophobicContact CG1-CG2 3.97Å; I409-L436 HydrophobicContact CG2-CD2 4.11Å; I409-V438 HydrophobicContact CD1-CB 4.31Å; I409-V438 HydrophobicContact CD1-CG1 3.63Å; I409-V438 HydrophobicContact CD1-CG2 3.65Å |
| 410 | K | 95.4 | Very high | 92.6 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.9 | 178.1 | -70.6 | 177.1 | -175.2 | 174.3 | 0 | 109.9 | A401 I402 E404 F412 P418 | A401-K410 CarbonylContact C-O 3.49Å; A401-K410 VanDerWaalsContact CA-O 3.26Å; A401-K410 WeakPolarHBondContact CA-O 3.16Å; I402-K410 HydrophobicContact CD1-CB 4.4Å; I402-K410 HydrophobicContact CG1-CB 3.93Å; I402-K410 PolarHBondContact N-O 2.95Å; I402-K410 PolarHBondContact O-N 3.05Å; E404-K410 IonicContact OE1-NZ 3.4Å; E404-K410 PolarHBondContact OE1-NZ 3.31Å; E404-K410 WeakPolarHBondContact OE2-CE 3.25Å; E404-K410 IonicContact OE2-NZ 2.76Å; E404-K410 PolarHBondContact OE2-NZ 3.17Å; K410-F412 HydrophobicContact CB-CD2 4.47Å; K410-F412 HydrophobicContact CB-CE2 3.81Å; K410-F412 HydrophobicContact CB-CZ 4.49Å; K410-P418 HydrophobicContact CB-CB 3.75Å; K410-P418 HydrophobicContact CD-CB 3.87Å; K410-P418 HydrophobicContact CD-CG 4.06Å; K410-P418 HydrophobicContact CG-CB 3.98Å |
| 411 | I | 96.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.7 | 171.8 | -61.5 | 179 | 0 | 0 | 0 | 108.7 | M399 Y400 A401 P418 L419 V421 L436 W449 R452 | M399-I411 HydrophobicContact CE-CG2 3.89Å; Y400-I411 CarbonylContact O-C 3.54Å; Y400-I411 WeakPolarHBondContact O-CA 3.21Å; A401-I411 HydrophobicContact CB-CG1 4.2Å; I411-P418 CarbonylContact O-C 3.59Å; I411-P418 WeakPolarHBondContact O-CA 3.44Å; I411-L419 PolarHBondContact N-O 2.8Å; I411-L419 PolarHBondContact O-N 2.84Å; I411-V421 HydrophobicContact CD1-CG2 3.54Å; I411-V421 HydrophobicContact CG1-CG2 3.75Å; I411-L436 HydrophobicContact CD1-CD2 3.83Å; I411-L436 HydrophobicContact CG1-CD2 4.07Å; I411-W449 HydrophobicContact CD1-CE3 4.07Å; I411-W449 HydrophobicContact CG1-CE3 4.3Å; I411-W449 HydrophobicContact CG1-CZ3 4.38Å; I411-W449 HydrophobicContact CG2-CE3 3.96Å; I411-W449 HydrophobicContact CG2-CZ3 4.33Å; I411-R452 HydrophobicContact CD1-CG 4.12Å |
| 412 | F | 96.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 10% | 0.096 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.2 | 175.3 | -67.5 | -103.1 | 0 | 0 | 0 | 109.6 | M399 Y400 I402 K410 K416 P418 | M399-F412 WeakPolarHBondContact CA-O 3.46Å; Y400-F412 HydrophobicContact CD1-CB 3.99Å; Y400-F412 HydrophobicContact CD2-CB 4Å; Y400-F412 AromaticContact CD2-CD2 3.92Å; Y400-F412 HydrophobicContact CD2-CD2 3.92Å; Y400-F412 HydrophobicContact CD2-CG 4.24Å; Y400-F412 HydrophobicContact CE1-CB 3.48Å; Y400-F412 VanDerWaalsContact CE1-CB 3.48Å; Y400-F412 HydrophobicContact CE1-CG 4.23Å; Y400-F412 HydrophobicContact CE2-CB 3.5Å; Y400-F412 VanDerWaalsContact CE2-CB 3.5Å; Y400-F412 HydrophobicContact CE2-CD1 4.26Å; Y400-F412 AromaticContact CE2-CD2 3.32Å; Y400-F412 HydrophobicContact CE2-CD2 3.32Å; Y400-F412 HydrophobicContact CE2-CE2 4.05Å; Y400-F412 AromaticContact CE2-CG 3.44Å; Y400-F412 HydrophobicContact CE2-CG 3.44Å; Y400-F412 VanDerWaalsContact CE2-CG 3.44Å; Y400-F412 HydrophobicContact CG-CB 4.23Å; Y400-F412 AromaticContact CZ-CD1 3.99Å; Y400-F412 AromaticContact CZ-CD2 3.86Å; Y400-F412 AromaticContact CZ-CG 3.43Å; Y400-F412 VanDerWaalsContact CZ-CG 3.43Å; Y400-F412 PolarHBondContact N-O 2.88Å; Y400-F412 VanDerWaalsContact N-O 3.11Å; Y400-F412 PolarHBondContact O-N 2.87Å; Y400-F412 WeakPolarHBondContact OH-CB 3.36Å; Y400-F412 WeakPolarHBondContact OH-CD1 3.39Å; Y400-F412 WeakPolarHBondContact OH-CG 3.49Å; I402-F412 HydrophobicContact CD1-CE2 3.54Å; I402-F412 HydrophobicContact CD1-CZ 4Å; I402-F412 HydrophobicContact CG1-CE2 3.82Å; K410-F412 HydrophobicContact CB-CD2 4.47Å; K410-F412 HydrophobicContact CB-CE2 3.81Å; K410-F412 HydrophobicContact CB-CZ 4.49Å; F412-K416 WeakPolarHBondContact CD1-O 3.3Å; F412-P418 HydrophobicContact CD1-CB 4.12Å; F412-P418 HydrophobicContact CD2-CB 4.29Å; F412-P418 HydrophobicContact CE1-CB 3.69Å; F412-P418 HydrophobicContact CE1-CG 3.9Å; F412-P418 HydrophobicContact CE2-CB 3.85Å; F412-P418 HydrophobicContact CG-CB 4.42Å; F412-P418 HydrophobicContact CZ-CB 3.56Å; F412-P418 HydrophobicContact CZ-CG 3.93Å |
| 413 | Q | 94.2 | Very high | 91.4 | Very high | 90 Ų | 90 | 59.9 Ų | 59.9 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.1 | 170.7 | -170.6 | 178 | 36.9 | 0 | 0 | 109 | M399 F415 K416 | M399-Q413 HydrophobicContact CG-CB 4.14Å; M399-Q413 HydrophobicContact CG-CG 3.79Å; M399-Q413 HydrophobicContact SD-CG 4.25Å; Q413-F415 PolarHBondContact O-N 2.91Å; Q413-K416 PolarHBondContact O-N 2.91Å; Q413-K416 VanDerWaalsContact O-N 3.12Å |
| 414 | N | 92.7 | Very high | 90.8 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 32.2 | -177.9 | -60.1 | -51.8 | 0 | 0 | 0 | 114.3 | N398 K416 | N398-N414 WeakPolarHBondContact CB-OD1 3.31Å; N398-N414 PolarHBondContact ND2-OD1 2.77Å; N398-N414 PolarHBondContact O-N 3.23Å; N414-K416 PolarHBondContact O-N 2.84Å |
| 415 | F | 91.9 | Very high | 90.6 | Very high | 42 Ų | 42 | 64.1 Ų | 64.1 | 18% | 0.184 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 24.1 | -178.4 | -39.5 | -77.7 | 0 | 0 | 0 | 114.1 | F363 I374 K383 W393 Y400 Q413 | F363-F415 HydrophobicContact CD1-CZ 4.17Å; F363-F415 AromaticContact CD2-CZ 3.8Å; F363-F415 HydrophobicContact CD2-CZ 3.8Å; F363-F415 HydrophobicContact CE1-CE2 4.28Å; F363-F415 AromaticContact CE1-CZ 3.96Å; F363-F415 HydrophobicContact CE1-CZ 3.96Å; F363-F415 AromaticContact CE2-CE2 3.96Å; F363-F415 HydrophobicContact CE2-CE2 3.96Å; F363-F415 AromaticContact CE2-CZ 3.58Å; F363-F415 HydrophobicContact CE2-CZ 3.58Å; F363-F415 HydrophobicContact CG-CZ 4.1Å; F363-F415 AromaticContact CZ-CE2 3.77Å; F363-F415 HydrophobicContact CZ-CE2 3.77Å; F363-F415 AromaticContact CZ-CZ 3.66Å; F363-F415 HydrophobicContact CZ-CZ 3.66Å; I374-F415 HydrophobicContact CD1-CD1 3.87Å; I374-F415 HydrophobicContact CD1-CE1 3.79Å; I374-F415 HydrophobicContact CG2-CE1 4Å; K383-F415 HydrophobicContact CG-CD1 4.28Å; K383-F415 HydrophobicContact CG-CD2 4.12Å; K383-F415 HydrophobicContact CG-CE1 4.22Å; K383-F415 HydrophobicContact CG-CE2 4.04Å; K383-F415 HydrophobicContact CG-CG 4.24Å; K383-F415 HydrophobicContact CG-CZ 4.1Å; W393-F415 HydrophobicContact CH2-CE1 4.38Å; Y400-F415 AromaticContact CE1-CD1 3.63Å; Y400-F415 HydrophobicContact CE1-CD1 3.63Å; Y400-F415 HydrophobicContact CE1-CE1 4.06Å; Q413-F415 PolarHBondContact O-N 2.91Å |
| 416 | K | 89.3 | Confident | 90.6 | Very high | 146 Ų | 146 | 69.6 Ų | 69.6 | 64% | 0.635 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 168.1 | -179 | -66.4 | -176.5 | -179.9 | -174.7 | 0 | 111.2 | F412 Q413 N414 | F412-K416 WeakPolarHBondContact CD1-O 3.3Å; Q413-K416 PolarHBondContact O-N 2.91Å; Q413-K416 VanDerWaalsContact O-N 3.12Å; N414-K416 PolarHBondContact O-N 2.84Å |
| 417 | D | 85.3 | Confident | 90.9 | Very high | 143 Ų | 143 | 68.7 Ų | 68.7 | 77% | 0.765 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -11.1 | 116.3 | -177.2 | -58.1 | -51.3 | 0 | 0 | 0 | 115.5 | ||
| 418 | P | 89 | Confident | 91 | Very high | 58 Ų | 58 | 67.8 Ų | 67.8 | 38% | 0.377 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 141 | -176.5 | 24 | -30 | 0 | 0 | 0 | 112.6 | K410 I411 F412 | K410-P418 HydrophobicContact CB-CB 3.75Å; K410-P418 HydrophobicContact CD-CB 3.87Å; K410-P418 HydrophobicContact CD-CG 4.06Å; K410-P418 HydrophobicContact CG-CB 3.98Å; I411-P418 CarbonylContact O-C 3.59Å; I411-P418 WeakPolarHBondContact O-CA 3.44Å; F412-P418 HydrophobicContact CD1-CB 4.12Å; F412-P418 HydrophobicContact CD2-CB 4.29Å; F412-P418 HydrophobicContact CE1-CB 3.69Å; F412-P418 HydrophobicContact CE1-CG 3.9Å; F412-P418 HydrophobicContact CE2-CB 3.85Å; F412-P418 HydrophobicContact CG-CB 4.42Å; F412-P418 HydrophobicContact CZ-CB 3.56Å; F412-P418 HydrophobicContact CZ-CG 3.93Å |
| 419 | L | 91.9 | Very high | 91.1 | Very high | 79 Ų | 79 | 66.6 Ų | 66.6 | 41% | 0.414 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.6 | 169.3 | -59.8 | 172.6 | 0 | 0 | 0 | 109.6 | I411 | I411-L419 PolarHBondContact N-O 2.8Å; I411-L419 PolarHBondContact O-N 2.84Å |
| 420 | A | 92.6 | Very high | 91.1 | Very high | 46 Ų | 46 | 66.9 Ų | 66.9 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 142.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I409 R452 | I409-A420 WeakPolarHBondContact O-CA 3.49Å; A420-R452 WeakPolarHBondContact O-CD 3.3Å; A420-R452 PolarHBondContact O-NH1 2.84Å |
| 421 | V | 90.7 | Very high | 91.1 | Very high | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.3 | 169.8 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | I409 I411 V423 L436 F447 R452 | I409-V421 HydrophobicContact CB-CB 4.28Å; I409-V421 HydrophobicContact CG2-CB 4.27Å; I409-V421 HydrophobicContact CG2-CG2 4.17Å; I409-V421 PolarHBondContact O-N 3.05Å; I411-V421 HydrophobicContact CD1-CG2 3.54Å; I411-V421 HydrophobicContact CG1-CG2 3.75Å; V421-V423 HydrophobicContact CG1-CG2 4.27Å; V421-L436 HydrophobicContact CG2-CD2 4.19Å; V421-F447 HydrophobicContact CG1-CD1 3.9Å; V421-F447 HydrophobicContact CG1-CD2 4.45Å; V421-F447 HydrophobicContact CG1-CE1 4.03Å; V421-F447 HydrophobicContact CG1-CG 4.12Å; V421-F447 HydrophobicContact CG1-CZ 4.36Å; V421-R452 HydrophobicContact CG2-CB 4.47Å; V421-R452 HydrophobicContact CG2-CG 4.3Å |
| 422 | Q | 87.3 | Confident | 91 | Very high | 162 Ų | 162 | 66.7 Ų | 66.7 | 76% | 0.757 | 35% | 0.345 | S | S | * | . | trans | -86.4 | 125.8 | 178.3 | -65.2 | -64.7 | -43.6 | 0 | 0 | 109.7 | ||||
| 423 | V | 87.6 | Confident | 90.8 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | trans | -134 | 130.5 | 178 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | I409 V421 I427 V438 A440 F447 | I409-V423 HydrophobicContact CD1-CG2 4.07Å; V421-V423 HydrophobicContact CG1-CG2 4.27Å; V423-I427 HydrophobicContact CB-CD1 4.22Å; V423-I427 HydrophobicContact CB-CG1 4.15Å; V423-I427 HydrophobicContact CG1-CG1 4.01Å; V423-I427 HydrophobicContact CG2-CD1 4.39Å; V423-I427 HydrophobicContact CG2-CG1 4.44Å; V423-V438 HydrophobicContact CG1-CG1 4.33Å; V423-V438 HydrophobicContact CG2-CG1 4.27Å; V423-A440 HydrophobicContact CG1-CB 4.04Å; V423-F447 HydrophobicContact CG2-CE2 4.36Å; V423-F447 HydrophobicContact CG2-CZ 4.15Å | ||
| 424 | D | 83 | Confident | 90.7 | Very high | 124 Ų | 124 | 63.4 Ų | 63.4 | 66% | 0.663 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -74.6 | -30.2 | -171.1 | -53.9 | -42.9 | 0 | 0 | 0 | 113 | R457 | D424-R457 IonicContact OD2-CZ 3.87Å; D424-R457 IonicContact OD2-NH2 3.89Å; D424-R457 PolarHBondContact OD2-NH2 3.19Å |
| 425 | N | 86.4 | Confident | 90.7 | Very high | 76 Ų | 76 | 59.6 Ų | 59.6 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -106.4 | 163.2 | -174.4 | -70.4 | -24.3 | 0 | 0 | 0 | 112.1 | I427 A440 | N425-I427 PolarHBondContact O-N 2.87Å; N425-A440 HydrophobicContact CB-CB 3.85Å |
| 426 | Q | 89.6 | Confident | 90.9 | Very high | 154 Ų | 154 | 57.6 Ų | 57.6 | 72% | 0.72 | 31% | 0.307 | S | S | * | . | trans | -60.3 | 125.2 | 171.5 | -172.1 | 174.2 | 3.3 | 0 | 0 | 110.3 | A440 | Q426-A440 WeakPolarHBondContact O-CA 3.34Å; Q426-A440 VanDerWaalsContact O-CB 3.31Å; Q426-A440 WeakPolarHBondContact O-CB 3.17Å | ||
| 427 | I | 92.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 125.1 | -176.4 | -60.1 | 145.3 | 0 | 0 | 0 | 109.2 | R403 G406 I409 V423 N425 I430 V438 | R403-I427 VanDerWaalsContact CD-CG2 3.42Å; R403-I427 HydrophobicContact CG-CG2 4.18Å; G406-I427 PolarHBondContact O-N 3Å; I409-I427 HydrophobicContact CD1-CD1 3.67Å; I409-I427 HydrophobicContact CD1-CG1 4Å; I409-I427 HydrophobicContact CD1-CG2 3.98Å; I409-I427 HydrophobicContact CG1-CD1 3.72Å; I409-I427 HydrophobicContact CG1-CG1 4.48Å; I409-I427 HydrophobicContact CG1-CG2 4.37Å; V423-I427 HydrophobicContact CB-CD1 4.22Å; V423-I427 HydrophobicContact CB-CG1 4.15Å; V423-I427 HydrophobicContact CG1-CG1 4.01Å; V423-I427 HydrophobicContact CG2-CD1 4.39Å; V423-I427 HydrophobicContact CG2-CG1 4.44Å; N425-I427 PolarHBondContact O-N 2.87Å; I427-I430 HydrophobicContact CG2-CG2 4.31Å; I427-V438 HydrophobicContact CG1-CG1 4.24Å; I427-V438 HydrophobicContact CG2-CG1 3.99Å |
| 428 | E | 92 | Very high | 91.7 | Very high | 80 Ų | 80 | 43.8 Ų | 43.8 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -17.6 | -179 | -64.6 | 168.2 | -152.4 | 0 | 0 | 113.1 | R439 G441 | E428-R439 HydrophobicContact CB-CG 4.31Å; E428-R439 PolarHBondContact N-O 3.49Å; E428-R439 PolarHBondContact O-NH2 2.62Å; E428-R439 IonicContact OE2-NE 2.72Å; E428-G441 PolarHBondContact OE1-N 2.72Å |
| 429 | G | 93.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | 161 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E390 R439 | E390-G429 WeakPolarHBondContact OE2-CA 3.49Å; G429-R439 PolarHBondContact N-O 2.68Å; G429-R439 PolarHBondContact O-N 3.31Å |
| 430 | I | 96.1 | Very high | 92 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152 | 177.1 | 59.6 | 174.3 | 0 | 0 | 0 | 112.4 | E390 V392 A401 R403 I409 I427 L436 G437 V438 | E390-I430 HydrophobicContact CB-CD1 4.25Å; E390-I430 HydrophobicContact CB-CG1 3.96Å; E390-I430 PolarHBondContact OE2-N 3.35Å; V392-I430 HydrophobicContact CG1-CD1 4.44Å; V392-I430 HydrophobicContact CG1-CG1 4.03Å; V392-I430 WeakPolarHBondContact CG1-O 3.21Å; V392-I430 HydrophobicContact CG2-CB 4.38Å; V392-I430 HydrophobicContact CG2-CD1 3.8Å; V392-I430 HydrophobicContact CG2-CG1 4.04Å; A401-I430 HydrophobicContact CB-CD1 4.47Å; R403-I430 HydrophobicContact CB-CD1 3.95Å; R403-I430 HydrophobicContact CB-CG1 4.33Å; R403-I430 HydrophobicContact CB-CG2 4.42Å; I409-I430 HydrophobicContact CD1-CG2 3.69Å; I409-I430 HydrophobicContact CG1-CG2 3.97Å; I427-I430 HydrophobicContact CG2-CG2 4.31Å; I430-L436 HydrophobicContact CB-CD1 4.49Å; I430-G437 CarbonylContact C-O 3.46Å; I430-G437 VanDerWaalsContact CA-O 3.31Å; I430-G437 WeakPolarHBondContact CA-O 3.31Å; I430-V438 HydrophobicContact CG2-CG2 4.41Å |
| 431 | F | 95.5 | Very high | 91.7 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135 | -178.3 | -51.6 | -78.6 | 0 | 0 | 0 | 111.6 | G437 R439 L444 P462 V465 | F431-G437 PolarHBondContact N-O 3.12Å; F431-G437 PolarHBondContact O-N 2.87Å; F431-R439 HydrophobicContact CE2-CB 4.02Å; F431-L444 HydrophobicContact CD2-CD1 4.04Å; F431-L444 HydrophobicContact CE2-CD1 4.22Å; F431-P462 HydrophobicContact CE2-CB 4.32Å; F431-P462 HydrophobicContact CE2-CG 3.6Å; F431-P462 HydrophobicContact CZ-CB 4.25Å; F431-P462 HydrophobicContact CZ-CG 3.88Å; F431-V465 HydrophobicContact CB-CB 3.86Å; F431-V465 HydrophobicContact CB-CG2 4.09Å; F431-V465 HydrophobicContact CD1-CB 4.09Å; F431-V465 HydrophobicContact CD1-CG2 3.98Å; F431-V465 HydrophobicContact CD2-CB 4.4Å; F431-V465 HydrophobicContact CD2-CG2 3.69Å; F431-V465 HydrophobicContact CE1-CG2 4.35Å; F431-V465 HydrophobicContact CE2-CG2 4.08Å; F431-V465 HydrophobicContact CG-CB 3.85Å; F431-V465 HydrophobicContact CG-CG2 3.63Å; F431-V465 HydrophobicContact CZ-CG2 4.39Å |
| 432 | G | 93.6 | Very high | 91.6 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 19% | 0.186 | 23% | 0.234 | C | C | . | . | trans | -84.3 | 179.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | W393 | W393-G432 WeakPolarHBondContact O-CA 3.4Š| ||
| 433 | G | 92.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | 124 | -148.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W393 K395 L435 W449 | W393-G433 PolarHBondContact O-N 3.48Å; K395-G433 PolarHBondContact N-O 2.97Å; G433-L435 VanDerWaalsContact C-N 3.31Å; G433-L435 PolarHBondContact O-N 3.17Å; G433-W449 PolarHBondContact O-NE1 3.33Å |
| 434 | T | 91.8 | Very high | 92 | Very high | 26 Ų | 26 | 35.1 Ų | 35.1 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -61.6 | -40.1 | -178.5 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | W449 D471 Y486 | T434-W449 PolarHBondContact O-NE1 3.01Å; T434-D471 WeakPolarHBondContact CG2-OD1 3.27Å; T434-D471 PolarHBondContact OG1-OD1 3Å; T434-Y486 HydrophobicContact CG2-CD1 3.97Å; T434-Y486 HydrophobicContact CG2-CE1 3.86Å |
| 435 | L | 93.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -121.4 | 155.6 | 173.2 | -62.6 | 175 | 0 | 0 | 0 | 109.8 | G433 G437 F446 W449 V455 W467 Y486 | G433-L435 VanDerWaalsContact C-N 3.31Å; G433-L435 PolarHBondContact O-N 3.17Å; L435-G437 PolarHBondContact O-N 3.4Å; L435-F446 HydrophobicContact CB-CB 4.17Å; L435-F446 HydrophobicContact CB-CD1 3.99Å; L435-F446 HydrophobicContact CB-CG 4.39Å; L435-F446 HydrophobicContact CD1-CB 3.91Å; L435-F446 HydrophobicContact CD1-CG 4.36Å; L435-W449 VanDerWaalsContact C-NE1 3.27Å; L435-V455 HydrophobicContact CD1-CB 4.21Å; L435-V455 HydrophobicContact CD1-CG1 4Å; L435-V455 HydrophobicContact CD1-CG2 4.34Å; L435-V455 HydrophobicContact CD2-CG2 4.16Å; L435-W467 HydrophobicContact CB-CH2 4.42Å; L435-W467 HydrophobicContact CB-CZ2 3.97Å; L435-W467 HydrophobicContact CD1-CH2 4.1Å; L435-W467 HydrophobicContact CD1-CZ2 4.38Å; L435-W467 HydrophobicContact CG-CH2 4.27Å; L435-W467 HydrophobicContact CG-CZ2 4.33Å; L435-Y486 HydrophobicContact CD1-CD2 4.2Å; L435-Y486 HydrophobicContact CD1-CE1 4.4Å; L435-Y486 HydrophobicContact CD1-CE2 3.91Å; L435-Y486 HydrophobicContact CG-CE1 4.45Å |
| 436 | L | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 111.5 | 171.9 | 173.8 | 62.1 | 0 | 0 | 0 | 108.8 | V392 A401 I409 I411 V421 I430 V438 F446 F447 W449 | V392-L436 HydrophobicContact CG2-CD1 4.03Å; A401-L436 HydrophobicContact CB-CD1 3.76Å; A401-L436 HydrophobicContact CB-CD2 4.18Å; I409-L436 HydrophobicContact CG2-CD2 4.11Å; I411-L436 HydrophobicContact CD1-CD2 3.83Å; I411-L436 HydrophobicContact CG1-CD2 4.07Å; V421-L436 HydrophobicContact CG2-CD2 4.19Å; I430-L436 HydrophobicContact CB-CD1 4.49Å; L436-V438 HydrophobicContact CG-CG2 4.17Å; L436-F446 CarbonylContact O-C 3.54Å; L436-F446 WeakPolarHBondContact O-CA 3.26Å; L436-F447 HydrophobicContact CB-CB 4.36Å; L436-F447 PolarHBondContact N-O 3.48Å; L436-F447 PolarHBondContact O-N 3.33Å; L436-W449 HydrophobicContact CB-CD2 4.11Å; L436-W449 HydrophobicContact CB-CE3 4.39Å; L436-W449 HydrophobicContact CB-CH2 4.25Å; L436-W449 HydrophobicContact CB-CZ2 3.93Å; L436-W449 HydrophobicContact CB-CZ3 4.47Å; L436-W449 HydrophobicContact CD1-CH2 3.85Å; L436-W449 HydrophobicContact CD1-CZ2 4.12Å; L436-W449 HydrophobicContact CD1-CZ3 4.36Å |
| 437 | G | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 136 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I430 F431 L435 S445 | I430-G437 CarbonylContact C-O 3.46Å; I430-G437 VanDerWaalsContact CA-O 3.31Å; I430-G437 WeakPolarHBondContact CA-O 3.31Å; F431-G437 PolarHBondContact N-O 3.12Å; F431-G437 PolarHBondContact O-N 2.87Å; L435-G437 PolarHBondContact O-N 3.4Å; G437-S445 CarbonylContact C-O 3.58Å; G437-S445 WeakPolarHBondContact CA-O 3.43Å |
| 438 | V | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122 | 177.1 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | I409 V423 I427 I430 L436 L444 S445 F447 | I409-V438 HydrophobicContact CD1-CB 4.31Å; I409-V438 HydrophobicContact CD1-CG1 3.63Å; I409-V438 HydrophobicContact CD1-CG2 3.65Å; V423-V438 HydrophobicContact CG1-CG1 4.33Å; V423-V438 HydrophobicContact CG2-CG1 4.27Å; I427-V438 HydrophobicContact CG1-CG1 4.24Å; I427-V438 HydrophobicContact CG2-CG1 3.99Å; I430-V438 HydrophobicContact CG2-CG2 4.41Å; L436-V438 HydrophobicContact CG-CG2 4.17Å; V438-L444 WeakPolarHBondContact O-CA 3.43Å; V438-S445 PolarHBondContact N-O 3.37Å; V438-S445 PolarHBondContact O-N 3.16Å; V438-F447 HydrophobicContact CB-CD2 4.38Å; V438-F447 HydrophobicContact CB-CE2 4.04Å; V438-F447 HydrophobicContact CG2-CD2 3.74Å; V438-F447 HydrophobicContact CG2-CE2 3.78Å |
| 439 | R | 95 | Very high | 92.8 | Very high | 63 Ų | 63 | 17.8 Ų | 17.8 | 24% | 0.238 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 120.7 | 170.1 | -177.2 | 178.2 | 69.1 | 174.2 | 7.7 | 109.7 | E428 G429 F431 Q443 P462 | E428-R439 HydrophobicContact CB-CG 4.31Å; E428-R439 PolarHBondContact N-O 3.49Å; E428-R439 PolarHBondContact O-NH2 2.62Å; E428-R439 IonicContact OE2-NE 2.72Å; G429-R439 PolarHBondContact N-O 2.68Å; G429-R439 PolarHBondContact O-N 3.31Å; F431-R439 HydrophobicContact CE2-CB 4.02Å; R439-Q443 VanDerWaalsContact CA-O 3.32Å; R439-Q443 WeakPolarHBondContact CA-O 3.36Å; R439-P462 HydrophobicContact CB-CG 4.28Å; R439-P462 VanDerWaalsContact CD-O 3.31Å; R439-P462 WeakPolarHBondContact CD-O 3.27Å; R439-P462 HydrophobicContact CG-CG 4.36Å; R439-P462 PolarHBondContact NH1-O 3.38Å |
| 440 | A | 93.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 3% | 0.033 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 128.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V423 N425 Q426 G442 Q443 | V423-A440 HydrophobicContact CG1-CB 4.04Å; N425-A440 HydrophobicContact CB-CB 3.85Å; Q426-A440 WeakPolarHBondContact O-CA 3.34Å; Q426-A440 VanDerWaalsContact O-CB 3.31Å; Q426-A440 WeakPolarHBondContact O-CB 3.17Å; A440-G442 VanDerWaalsContact C-N 3.32Å; A440-G442 PolarHBondContact O-N 2.92Å; A440-Q443 PolarHBondContact N-O 3.3Å; A440-Q443 PolarHBondContact O-N 2.82Å |
| 441 | G | 87.3 | Confident | 92.3 | Very high | 46 Ų | 46 | 25.5 Ų | 25.5 | 47% | 0.474 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | E428 Q443 | E428-G441 PolarHBondContact OE1-N 2.72Å; G441-Q443 VanDerWaalsContact C-N 3.27Å; G441-Q443 PolarHBondContact O-N 3.21Å |
| 442 | G | 86.9 | Confident | 92.1 | Very high | 33 Ų | 33 | 29.2 Ų | 29.2 | 34% | 0.34 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 9.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | A440 I460 | A440-G442 VanDerWaalsContact C-N 3.32Å; A440-G442 PolarHBondContact O-N 2.92Å; G442-I460 CarbonylContact O-C 3.6Å |
| 443 | Q | 91 | Very high | 91.9 | Very high | 53 Ų | 53 | 30.6 Ų | 30.6 | 25% | 0.248 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 153 | 177.3 | -63.5 | 179.3 | -32.8 | 0 | 0 | 111.6 | R439 A440 G441 D459 I460 | R439-Q443 VanDerWaalsContact CA-O 3.32Å; R439-Q443 WeakPolarHBondContact CA-O 3.36Å; A440-Q443 PolarHBondContact N-O 3.3Å; A440-Q443 PolarHBondContact O-N 2.82Å; G441-Q443 VanDerWaalsContact C-N 3.27Å; G441-Q443 PolarHBondContact O-N 3.21Å; Q443-D459 PolarHBondContact NE2-OD1 3.45Å; Q443-I460 CarbonylContact C-O 3.57Å; Q443-I460 WeakPolarHBondContact CA-O 3.19Å |
| 444 | L | 93 | Very high | 91.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119 | 168.4 | 175.8 | 58.1 | 0 | 0 | 0 | 110.1 | F431 V438 F446 R457 I458 I460 P462 V465 I475 | F431-L444 HydrophobicContact CD2-CD1 4.04Å; F431-L444 HydrophobicContact CE2-CD1 4.22Å; V438-L444 WeakPolarHBondContact O-CA 3.43Å; L444-F446 HydrophobicContact CD1-CE1 4.48Å; L444-F446 HydrophobicContact CD1-CZ 4.48Å; L444-F446 HydrophobicContact CD2-CE1 4.43Å; L444-F446 HydrophobicContact CD2-CE2 3.85Å; L444-F446 HydrophobicContact CD2-CZ 3.68Å; L444-F446 HydrophobicContact CG-CE2 4.19Å; L444-F446 HydrophobicContact CG-CZ 4.18Å; L444-R457 CarbonylContact O-C 3.55Å; L444-R457 WeakPolarHBondContact O-CA 3.07Å; L444-I458 PolarHBondContact N-O 2.84Å; L444-I458 PolarHBondContact O-N 2.91Å; L444-I460 HydrophobicContact CB-CG1 4.19Å; L444-I460 HydrophobicContact CD2-CD1 4.48Å; L444-I460 PolarHBondContact N-O 2.84Å; L444-P462 HydrophobicContact CB-CG 3.99Å; L444-P462 HydrophobicContact CD1-CG 4.05Å; L444-P462 HydrophobicContact CD2-CB 4.36Å; L444-P462 HydrophobicContact CD2-CG 4.03Å; L444-P462 HydrophobicContact CG-CG 4.23Å; L444-V465 HydrophobicContact CD2-CG2 4.03Å; L444-I475 HydrophobicContact CD2-CD1 3.84Å; L444-I475 HydrophobicContact CD2-CG1 4.19Å; L444-I475 HydrophobicContact CD2-CG2 3.94Å |
| 445 | S | 92.7 | Very high | 91.5 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.9 | 174.9 | -62.4 | 0 | 0 | 0 | 0 | 110.6 | G437 V438 R456 | G437-S445 CarbonylContact C-O 3.58Å; G437-S445 WeakPolarHBondContact CA-O 3.43Å; V438-S445 PolarHBondContact N-O 3.37Å; V438-S445 PolarHBondContact O-N 3.16Å; S445-R456 CarbonylContact C-O 3.59Å; S445-R456 WeakPolarHBondContact CA-O 3.29Å |
| 446 | F | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 130.7 | 172 | -72.6 | -64.3 | 0 | 0 | 0 | 110.8 | L435 L436 L444 V455 R456 I458 V465 W467 V473 I475 | L435-F446 HydrophobicContact CB-CB 4.17Å; L435-F446 HydrophobicContact CB-CD1 3.99Å; L435-F446 HydrophobicContact CB-CG 4.39Å; L435-F446 HydrophobicContact CD1-CB 3.91Å; L435-F446 HydrophobicContact CD1-CG 4.36Å; L436-F446 CarbonylContact O-C 3.54Å; L436-F446 WeakPolarHBondContact O-CA 3.26Å; L444-F446 HydrophobicContact CD1-CE1 4.48Å; L444-F446 HydrophobicContact CD1-CZ 4.48Å; L444-F446 HydrophobicContact CD2-CE1 4.43Å; L444-F446 HydrophobicContact CD2-CE2 3.85Å; L444-F446 HydrophobicContact CD2-CZ 3.68Å; L444-F446 HydrophobicContact CG-CE2 4.19Å; L444-F446 HydrophobicContact CG-CZ 4.18Å; F446-V455 PolarHBondContact O-N 2.88Å; F446-R456 PolarHBondContact N-O 3.49Å; F446-R456 PolarHBondContact O-N 2.81Å; F446-I458 HydrophobicContact CD2-CD1 4.26Å; F446-I458 HydrophobicContact CE2-CD1 3.82Å; F446-V465 HydrophobicContact CE1-CG1 4.14Å; F446-V465 HydrophobicContact CZ-CG1 4.06Å; F446-W467 AromaticContact CD1-CZ2 3.94Å; F446-W467 HydrophobicContact CD1-CZ2 3.94Å; F446-W467 AromaticContact CE1-CZ2 3.6Å; F446-W467 HydrophobicContact CE1-CZ2 3.6Å; F446-W467 AromaticContact CZ-CZ2 3.93Å; F446-W467 HydrophobicContact CZ-CZ2 3.93Å; F446-V473 HydrophobicContact CZ-CG2 4.49Å; F446-I475 HydrophobicContact CE2-CD1 4.23Å; F446-I475 HydrophobicContact CZ-CD1 4.32Å |
| 447 | F | 91.9 | Very high | 90.8 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 4% | 0.044 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 144.9 | 177.5 | -64.6 | -95.8 | 0 | 0 | 0 | 110.8 | V421 V423 L436 V438 S453 L454 | V421-F447 HydrophobicContact CG1-CD1 3.9Å; V421-F447 HydrophobicContact CG1-CD2 4.45Å; V421-F447 HydrophobicContact CG1-CE1 4.03Å; V421-F447 HydrophobicContact CG1-CG 4.12Å; V421-F447 HydrophobicContact CG1-CZ 4.36Å; V423-F447 HydrophobicContact CG2-CE2 4.36Å; V423-F447 HydrophobicContact CG2-CZ 4.15Å; L436-F447 HydrophobicContact CB-CB 4.36Å; L436-F447 PolarHBondContact N-O 3.48Å; L436-F447 PolarHBondContact O-N 3.33Å; V438-F447 HydrophobicContact CB-CD2 4.38Å; V438-F447 HydrophobicContact CB-CE2 4.04Å; V438-F447 HydrophobicContact CG2-CD2 3.74Å; V438-F447 HydrophobicContact CG2-CE2 3.78Å; F447-S453 VanDerWaalsContact CA-O 3.28Å; F447-S453 WeakPolarHBondContact CA-O 3.16Å; F447-L454 HydrophobicContact CD1-CB 4.19Å; F447-L454 HydrophobicContact CD1-CD1 4.43Å; F447-L454 HydrophobicContact CE1-CB 3.94Å; F447-L454 HydrophobicContact CE1-CD1 4Å; F447-L454 HydrophobicContact CE2-CD1 4.26Å; F447-L454 HydrophobicContact CZ-CD1 3.91Å |
| 448 | D | 91.1 | Very high | 90.5 | Very high | 42 Ų | 42 | 43 Ų | 43 | 23% | 0.225 | 23% | 0.232 | C | C | . | . | trans | -73.3 | 132.4 | 170.6 | 175.3 | -105.1 | 0 | 0 | 0 | 110.4 | T450 T451 R452 S453 V455 | D448-T450 VanDerWaalsContact C-N 3.31Å; D448-T450 PolarHBondContact O-N 3.25Å; D448-T450 PolarHBondContact OD1-N 3.35Å; D448-T450 VanDerWaalsContact OD1-N 3.16Å; D448-T451 VanDerWaalsContact CB-OG1 3.3Å; D448-T451 WeakPolarHBondContact CB-OG1 3.46Å; D448-T451 WeakPolarHBondContact OD1-CB 3.37Å; D448-T451 WeakPolarHBondContact OD1-CG2 3.35Å; D448-T451 PolarHBondContact OD1-N 3.35Å; D448-T451 PolarHBondContact OD1-OG1 2.9Å; D448-R452 WeakPolarHBondContact O-CA 3.38Å; D448-R452 PolarHBondContact O-N 3.28Å; D448-S453 PolarHBondContact N-O 2.86Å; D448-V455 HydrophobicContact CB-CG2 3.95Å | ||
| 449 | W | 92 | Very high | 90.2 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -35 | -174.5 | -76.4 | 102.3 | 0 | 0 | 0 | 113.6 | V392 A394 M399 A401 I411 G433 T434 L435 L436 | V392-W449 HydrophobicContact CG2-CH2 4.17Å; A394-W449 HydrophobicContact CB-CD2 3.7Å; A394-W449 HydrophobicContact CB-CE3 4.02Å; A394-W449 HydrophobicContact CB-CG 4.22Å; A394-W449 HydrophobicContact CB-CH2 4Å; A394-W449 HydrophobicContact CB-CZ2 3.7Å; A394-W449 HydrophobicContact CB-CZ3 4.15Å; M399-W449 HydrophobicContact CE-CB 3.8Å; M399-W449 WeakPolarHBondContact CE-O 3.48Å; A401-W449 HydrophobicContact CB-CH2 3.78Å; A401-W449 HydrophobicContact CB-CZ3 3.56Å; I411-W449 HydrophobicContact CD1-CE3 4.07Å; I411-W449 HydrophobicContact CG1-CE3 4.3Å; I411-W449 HydrophobicContact CG1-CZ3 4.38Å; I411-W449 HydrophobicContact CG2-CE3 3.96Å; I411-W449 HydrophobicContact CG2-CZ3 4.33Å; G433-W449 PolarHBondContact O-NE1 3.33Å; T434-W449 PolarHBondContact O-NE1 3.01Å; L435-W449 VanDerWaalsContact C-NE1 3.27Å; L436-W449 HydrophobicContact CB-CD2 4.11Å; L436-W449 HydrophobicContact CB-CE3 4.39Å; L436-W449 HydrophobicContact CB-CH2 4.25Å; L436-W449 HydrophobicContact CB-CZ2 3.93Å; L436-W449 HydrophobicContact CB-CZ3 4.47Å; L436-W449 HydrophobicContact CD1-CH2 3.85Å; L436-W449 HydrophobicContact CD1-CZ2 4.12Å; L436-W449 HydrophobicContact CD1-CZ3 4.36Å |
| 450 | T | 89.8 | Confident | 89.8 | Confident | 88 Ų | 88 | 47.2 Ų | 47.2 | 54% | 0.54 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -51 | -172.6 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | D448 | D448-T450 VanDerWaalsContact C-N 3.31Å; D448-T450 PolarHBondContact O-N 3.25Å; D448-T450 PolarHBondContact OD1-N 3.35Å; D448-T450 VanDerWaalsContact OD1-N 3.16Å |
| 451 | T | 88.9 | Confident | 89.6 | Confident | 83 Ų | 83 | 49.7 Ų | 49.7 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -21.2 | -176.6 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | D448 S453 | D448-T451 VanDerWaalsContact CB-OG1 3.3Å; D448-T451 WeakPolarHBondContact CB-OG1 3.46Å; D448-T451 WeakPolarHBondContact OD1-CB 3.37Å; D448-T451 WeakPolarHBondContact OD1-CG2 3.35Å; D448-T451 PolarHBondContact OD1-N 3.35Å; D448-T451 PolarHBondContact OD1-OG1 2.9Å; T451-S453 PolarHBondContact O-N 2.83Å; T451-S453 PolarHBondContact OG1-N 2.75Å; T451-S453 PolarHBondContact OG1-OG 2.78Å |
| 452 | R | 90.1 | Very high | 89.7 | Confident | 106 Ų | 106 | 47.6 Ų | 47.6 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | trans | 62 | 15.3 | -173.6 | -54.8 | 166.5 | -70.8 | 145.8 | 0.8 | 113.5 | I411 A420 V421 D448 | I411-R452 HydrophobicContact CD1-CG 4.12Å; A420-R452 WeakPolarHBondContact O-CD 3.3Å; A420-R452 PolarHBondContact O-NH1 2.84Å; V421-R452 HydrophobicContact CG2-CB 4.47Å; V421-R452 HydrophobicContact CG2-CG 4.3Å; D448-R452 WeakPolarHBondContact O-CA 3.38Å; D448-R452 PolarHBondContact O-N 3.28Å | ||
| 453 | S | 88.9 | Confident | 89.7 | Confident | 48 Ų | 48 | 51.5 Ų | 51.5 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | trans | -77.4 | 145.1 | 178.1 | 62.3 | 0 | 0 | 0 | 0 | 110.2 | F447 D448 T451 V455 | F447-S453 VanDerWaalsContact CA-O 3.28Å; F447-S453 WeakPolarHBondContact CA-O 3.16Å; D448-S453 PolarHBondContact N-O 2.86Å; T451-S453 PolarHBondContact O-N 2.83Å; T451-S453 PolarHBondContact OG1-N 2.75Å; T451-S453 PolarHBondContact OG1-OG 2.78Å; S453-V455 PolarHBondContact O-N 2.84Å | ||
| 454 | L | 88.4 | Confident | 89.7 | Confident | 66 Ų | 66 | 50.1 Ų | 50.1 | 35% | 0.346 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 121.6 | 172.5 | 176.9 | 69.7 | 0 | 0 | 0 | 109.1 | F447 R457 | F447-L454 HydrophobicContact CD1-CB 4.19Å; F447-L454 HydrophobicContact CD1-CD1 4.43Å; F447-L454 HydrophobicContact CE1-CB 3.94Å; F447-L454 HydrophobicContact CE1-CD1 4Å; F447-L454 HydrophobicContact CE2-CD1 4.26Å; F447-L454 HydrophobicContact CZ-CD1 3.91Å; L454-R457 HydrophobicContact CD1-CG 3.91Å; L454-R457 HydrophobicContact CD2-CG 3.96Å; L454-R457 HydrophobicContact CG-CG 4.42Å |
| 455 | V | 87.7 | Confident | 89.6 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -45.7 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | L435 F446 D448 S453 Y486 | L435-V455 HydrophobicContact CD1-CB 4.21Å; L435-V455 HydrophobicContact CD1-CG1 4Å; L435-V455 HydrophobicContact CD1-CG2 4.34Å; L435-V455 HydrophobicContact CD2-CG2 4.16Å; F446-V455 PolarHBondContact O-N 2.88Å; D448-V455 HydrophobicContact CB-CG2 3.95Å; S453-V455 PolarHBondContact O-N 2.84Å; V455-Y486 HydrophobicContact CG1-CE2 4.23Å |
| 456 | R | 86.7 | Confident | 89.5 | Confident | 69 Ų | 69 | 53 Ų | 53 | 26% | 0.26 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 146.2 | -177.7 | -172.3 | 62.4 | 176.2 | -140.9 | -10.7 | 111.8 | S445 F446 I458 L495 | S445-R456 CarbonylContact C-O 3.59Å; S445-R456 WeakPolarHBondContact CA-O 3.29Å; F446-R456 PolarHBondContact N-O 3.49Å; F446-R456 PolarHBondContact O-N 2.81Å; R456-I458 HydrophobicContact CG-CG1 4.15Å; R456-L495 HydrophobicContact CG-CB 4.3Å |
| 457 | R | 88.7 | Confident | 89.4 | Confident | 107 Ų | 107 | 54.6 Ų | 54.6 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 143.2 | 163.1 | -63.2 | -171.5 | 179.1 | 173.6 | -1.8 | 109.8 | D424 L444 L454 | D424-R457 IonicContact OD2-CZ 3.87Å; D424-R457 IonicContact OD2-NH2 3.89Å; D424-R457 PolarHBondContact OD2-NH2 3.19Å; L444-R457 CarbonylContact O-C 3.55Å; L444-R457 WeakPolarHBondContact O-CA 3.07Å; L454-R457 HydrophobicContact CD1-CG 3.91Å; L454-R457 HydrophobicContact CD2-CG 3.96Å; L454-R457 HydrophobicContact CG-CG 4.42Å |
| 458 | I | 89.2 | Confident | 89.3 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 126.2 | 176.6 | -48.7 | 178.7 | 0 | 0 | 0 | 107.1 | L444 F446 R456 I460 I475 L484 L495 | L444-I458 PolarHBondContact N-O 2.84Å; L444-I458 PolarHBondContact O-N 2.91Å; F446-I458 HydrophobicContact CD2-CD1 4.26Å; F446-I458 HydrophobicContact CE2-CD1 3.82Å; R456-I458 HydrophobicContact CG-CG1 4.15Å; I458-I460 HydrophobicContact CB-CD1 4.38Å; I458-I460 HydrophobicContact CB-CG1 4.15Å; I458-I460 HydrophobicContact CG2-CB 4.46Å; I458-I460 HydrophobicContact CG2-CD1 3.68Å; I458-I460 HydrophobicContact CG2-CG1 3.68Å; I458-I460 HydrophobicContact CG2-CG2 4.17Å; I458-I460 PolarHBondContact O-N 2.95Å; I458-I475 HydrophobicContact CD1-CD1 3.81Å; I458-L484 HydrophobicContact CD1-CD1 3.76Å; I458-L495 HydrophobicContact CD1-CD2 4.42Å |
| 459 | D | 89.1 | Confident | 88.9 | Confident | 127 Ų | 127 | 60.7 Ų | 60.7 | 68% | 0.679 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -79.3 | 60.5 | -177.2 | -64.6 | -39.4 | 0 | 0 | 0 | 111.7 | Q443 | Q443-D459 PolarHBondContact NE2-OD1 3.45Š|
| 460 | I | 86.6 | Confident | 88.4 | Confident | 24 Ų | 24 | 64.7 Ų | 64.7 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | trans | -136.5 | 149.3 | 176.6 | 61.7 | -178.9 | 0 | 0 | 0 | 109.9 | G442 Q443 L444 I458 P462 I475 T477 Y482 | G442-I460 CarbonylContact O-C 3.6Å; Q443-I460 CarbonylContact C-O 3.57Å; Q443-I460 WeakPolarHBondContact CA-O 3.19Å; L444-I460 HydrophobicContact CB-CG1 4.19Å; L444-I460 HydrophobicContact CD2-CD1 4.48Å; L444-I460 PolarHBondContact N-O 2.84Å; I458-I460 HydrophobicContact CB-CD1 4.38Å; I458-I460 HydrophobicContact CB-CG1 4.15Å; I458-I460 HydrophobicContact CG2-CB 4.46Å; I458-I460 HydrophobicContact CG2-CD1 3.68Å; I458-I460 HydrophobicContact CG2-CG1 3.68Å; I458-I460 HydrophobicContact CG2-CG2 4.17Å; I458-I460 PolarHBondContact O-N 2.95Å; I460-P462 WeakPolarHBondContact O-CD 3.44Å; I460-I475 HydrophobicContact CD1-CB 4.17Å; I460-I475 HydrophobicContact CD1-CD1 4.07Å; I460-I475 HydrophobicContact CD1-CG2 3.48Å; I460-I475 VanDerWaalsContact CD1-CG2 3.48Å; I460-T477 HydrophobicContact CB-CG2 4.46Å; I460-Y482 HydrophobicContact CD1-CD2 4.17Å; I460-Y482 HydrophobicContact CD1-CE2 4.49Å; I460-Y482 HydrophobicContact CG2-CE2 4.22Å | ||
| 461 | S | 87.7 | Confident | 88 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | trans | -100 | 95.2 | 170.9 | -170.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 462 | P | 89.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | trans | -75.6 | 147.3 | -176.1 | 32.6 | -39.7 | 0 | 0 | 0 | 111.9 | F431 R439 L444 I460 V465 I475 T476 | F431-P462 HydrophobicContact CE2-CB 4.32Å; F431-P462 HydrophobicContact CE2-CG 3.6Å; F431-P462 HydrophobicContact CZ-CB 4.25Å; F431-P462 HydrophobicContact CZ-CG 3.88Å; R439-P462 HydrophobicContact CB-CG 4.28Å; R439-P462 VanDerWaalsContact CD-O 3.31Å; R439-P462 WeakPolarHBondContact CD-O 3.27Å; R439-P462 HydrophobicContact CG-CG 4.36Å; R439-P462 PolarHBondContact NH1-O 3.38Å; L444-P462 HydrophobicContact CB-CG 3.99Å; L444-P462 HydrophobicContact CD1-CG 4.05Å; L444-P462 HydrophobicContact CD2-CB 4.36Å; L444-P462 HydrophobicContact CD2-CG 4.03Å; L444-P462 HydrophobicContact CG-CG 4.23Å; I460-P462 WeakPolarHBondContact O-CD 3.44Å; P462-V465 HydrophobicContact CB-CG2 4.2Å; P462-I475 HydrophobicContact CB-CG2 3.63Å; P462-T476 CarbonylContact C-O 3.52Å; P462-T476 VanDerWaalsContact CA-O 3.24Å; P462-T476 WeakPolarHBondContact CA-O 3.37Å | ||
| 463 | K | 87.8 | Confident | 87.8 | Confident | 115 Ų | 115 | 54.5 Ų | 54.5 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -89 | -41.5 | 165.6 | -173.9 | -179.6 | 176.9 | -172.9 | 0 | 111.4 | T476 | K463-T476 PolarHBondContact N-O 2.86Š|
| 464 | A | 89.6 | Confident | 87.9 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 21% | 0.207 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 153.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F466 T476 | A464-F466 HydrophobicContact CB-CD2 4.48Å; A464-F466 HydrophobicContact CB-CE2 3.61Å; A464-F466 HydrophobicContact CB-CZ 3.74Å; A464-T476 WeakPolarHBondContact CA-OG1 3.42Å; A464-T476 WeakPolarHBondContact CB-OG1 3.49Å; A464-T476 PolarHBondContact N-OG1 2.84Å; A464-T476 PolarHBondContact O-N 3Å; A464-T476 PolarHBondContact O-OG1 2.85Å |
| 465 | V | 92 | Very high | 88 | Confident | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126.6 | 179.5 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | F431 L444 F446 P462 V473 C474 I475 | F431-V465 HydrophobicContact CB-CB 3.86Å; F431-V465 HydrophobicContact CB-CG2 4.09Å; F431-V465 HydrophobicContact CD1-CB 4.09Å; F431-V465 HydrophobicContact CD1-CG2 3.98Å; F431-V465 HydrophobicContact CD2-CB 4.4Å; F431-V465 HydrophobicContact CD2-CG2 3.69Å; F431-V465 HydrophobicContact CE1-CG2 4.35Å; F431-V465 HydrophobicContact CE2-CG2 4.08Å; F431-V465 HydrophobicContact CG-CB 3.85Å; F431-V465 HydrophobicContact CG-CG2 3.63Å; F431-V465 HydrophobicContact CZ-CG2 4.39Å; L444-V465 HydrophobicContact CD2-CG2 4.03Å; F446-V465 HydrophobicContact CE1-CG1 4.14Å; F446-V465 HydrophobicContact CZ-CG1 4.06Å; P462-V465 HydrophobicContact CB-CG2 4.2Å; V465-V473 HydrophobicContact CG1-CG2 3.41Å; V465-V473 VanDerWaalsContact CG1-CG2 3.41Å; V465-C474 WeakPolarHBondContact CA-O 3.24Å; V465-I475 HydrophobicContact CG1-CG1 4.41Å; V465-I475 HydrophobicContact CG2-CG1 4.47Å; V465-I475 HydrophobicContact CG2-CG2 4.24Å |
| 466 | F | 91.1 | Very high | 88 | Confident | 54 Ų | 54 | 47.8 Ų | 47.8 | 24% | 0.237 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 117.5 | -177.5 | -57.5 | -82.6 | 0 | 0 | 0 | 110.5 | A464 V473 C474 T476 G510 W512 F517 | A464-F466 HydrophobicContact CB-CD2 4.48Å; A464-F466 HydrophobicContact CB-CE2 3.61Å; A464-F466 HydrophobicContact CB-CZ 3.74Å; F466-V473 CarbonylContact O-C 3.58Å; F466-V473 VanDerWaalsContact O-CA 3.32Å; F466-V473 WeakPolarHBondContact O-CA 3.39Å; F466-C474 PolarHBondContact N-O 2.11Å; F466-C474 PolarHBondContact O-N 2.82Å; F466-T476 HydrophobicContact CE2-CG2 4.25Å; F466-G510 WeakPolarHBondContact CD1-O 3.49Å; F466-G510 VanDerWaalsContact CE1-O 3.27Å; F466-G510 WeakPolarHBondContact CE1-O 3.45Å; F466-W512 PolarHBondContact O-NE1 3.08Å; F466-F517 HydrophobicContact CB-CE2 3.73Å; F466-F517 HydrophobicContact CB-CZ 4.28Å; F466-F517 AromaticContact CD2-CE2 3.97Å; F466-F517 HydrophobicContact CD2-CE2 3.97Å; F466-F517 AromaticContact CD2-CZ 3.62Å; F466-F517 HydrophobicContact CD2-CZ 3.62Å; F466-F517 HydrophobicContact CE2-CZ 4.14Å; F466-F517 AromaticContact CG-CE2 3.89Å; F466-F517 HydrophobicContact CG-CE2 3.89Å; F466-F517 HydrophobicContact CG-CZ 4.02Å |
| 467 | W | 91 | Very high | 87.9 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 138.5 | 176.3 | -71 | 89.2 | 0 | 0 | 0 | 111.5 | L435 F446 T472 V473 Y486 | L435-W467 HydrophobicContact CB-CH2 4.42Å; L435-W467 HydrophobicContact CB-CZ2 3.97Å; L435-W467 HydrophobicContact CD1-CH2 4.1Å; L435-W467 HydrophobicContact CD1-CZ2 4.38Å; L435-W467 HydrophobicContact CG-CH2 4.27Å; L435-W467 HydrophobicContact CG-CZ2 4.33Å; F446-W467 AromaticContact CD1-CZ2 3.94Å; F446-W467 HydrophobicContact CD1-CZ2 3.94Å; F446-W467 AromaticContact CE1-CZ2 3.6Å; F446-W467 HydrophobicContact CE1-CZ2 3.6Å; F446-W467 AromaticContact CZ-CZ2 3.93Å; F446-W467 HydrophobicContact CZ-CZ2 3.93Å; W467-T472 CarbonylContact C-O 3.59Å; W467-V473 HydrophobicContact CD2-CB 3.93Å; W467-V473 HydrophobicContact CD2-CG2 3.92Å; W467-V473 HydrophobicContact CE3-CB 3.83Å; W467-V473 HydrophobicContact CE3-CG2 4.34Å; W467-V473 HydrophobicContact CG-CG2 4.27Å; W467-V473 HydrophobicContact CH2-CB 4.16Å; W467-V473 HydrophobicContact CH2-CG1 4.25Å; W467-V473 HydrophobicContact CZ2-CB 4.26Å; W467-V473 HydrophobicContact CZ2-CG2 4.14Å; W467-V473 HydrophobicContact CZ3-CB 3.95Å; W467-V473 HydrophobicContact CZ3-CG1 4.31Å; W467-Y486 HydrophobicContact CH2-CD1 4.49Å; W467-Y486 HydrophobicContact CH2-CG 4.27Å; W467-Y486 HydrophobicContact CZ3-CD1 4.17Å; W467-Y486 HydrophobicContact CZ3-CG 4.14Å |
| 468 | S | 89 | Confident | 87.4 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | trans | -86.4 | 164.1 | 169.8 | 85.3 | 0 | 0 | 0 | 0 | 110.6 | M470 D471 T472 W512 | S468-M470 PolarHBondContact O-N 2.82Å; S468-M470 PolarHBondContact OG-N 2.87Å; S468-D471 PolarHBondContact O-N 2.91Å; S468-D471 PolarHBondContact OG-N 3.08Å; S468-T472 WeakPolarHBondContact CB-O 3.15Å; S468-T472 PolarHBondContact N-O 2.72Å; S468-T472 WeakPolarHBondContact OG-CB 3.42Å; S468-T472 PolarHBondContact OG-N 2.92Å; S468-T472 PolarHBondContact OG-O 2.83Å; S468-W512 VanDerWaalsContact CB-CG 3.46Å | ||
| 469 | E | 83.5 | Confident | 86.7 | Confident | 174 Ų | 174 | 52.1 Ų | 52.1 | 81% | 0.813 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -28.8 | 175.5 | -65.3 | -172.6 | 166.8 | 0 | 0 | 112.5 | K395 D471 | K395-E469 PolarHBondContact NZ-O 3.45Å; E469-D471 VanDerWaalsContact C-N 3.33Å |
| 470 | M | 80.3 | Confident | 86.3 | Confident | 97 Ų | 97 | 47.6 Ų | 47.6 | 48% | 0.478 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 28.1 | 179.1 | -58.5 | -159.7 | -60.5 | 0 | 0 | 112.9 | S468 T472 D515 | S468-M470 PolarHBondContact O-N 2.82Å; S468-M470 PolarHBondContact OG-N 2.87Å; M470-T472 VanDerWaalsContact C-N 3.26Å; M470-T472 PolarHBondContact O-N 2.82Å; M470-D515 WeakPolarHBondContact CE-OD1 3.11Å; M470-D515 WeakPolarHBondContact CE-OD2 3.38Å |
| 471 | D | 82.1 | Confident | 86.1 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 22% | 0.219 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 60.1 | 32.8 | 169.9 | -58.1 | -40.4 | 0 | 0 | 0 | 114.4 | K395 T434 S468 E469 Y486 | K395-D471 IonicContact NZ-OD1 2.68Å; K395-D471 PolarHBondContact NZ-OD1 2.94Å; K395-D471 IonicContact NZ-OD2 3.87Å; T434-D471 WeakPolarHBondContact CG2-OD1 3.27Å; T434-D471 PolarHBondContact OG1-OD1 3Å; S468-D471 PolarHBondContact O-N 2.91Å; S468-D471 PolarHBondContact OG-N 3.08Å; E469-D471 VanDerWaalsContact C-N 3.33Å; D471-Y486 HydrophobicContact CB-CD1 4.09Å; D471-Y486 VanDerWaalsContact O-CB 3.3Å; D471-Y486 WeakPolarHBondContact O-CB 3.19Å; D471-Y486 PolarHBondContact O-N 2.8Å |
| 472 | T | 86.4 | Confident | 85.9 | Confident | 21 Ų | 21 | 47.1 Ų | 47.1 | 13% | 0.129 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 145.7 | 163 | -51.9 | 0 | 0 | 0 | 0 | 108.7 | W467 S468 M470 I483 L484 W512 | W467-T472 CarbonylContact C-O 3.59Å; S468-T472 WeakPolarHBondContact CB-O 3.15Å; S468-T472 PolarHBondContact N-O 2.72Å; S468-T472 WeakPolarHBondContact OG-CB 3.42Å; S468-T472 PolarHBondContact OG-N 2.92Å; S468-T472 PolarHBondContact OG-O 2.83Å; M470-T472 VanDerWaalsContact C-N 3.26Å; M470-T472 PolarHBondContact O-N 2.82Å; T472-I483 HydrophobicContact CG2-CG2 3.68Å; T472-L484 CarbonylContact C-O 3.48Å; T472-L484 WeakPolarHBondContact CA-O 3.48Å; T472-L484 WeakPolarHBondContact CG2-O 3.37Å; T472-W512 HydrophobicContact CG2-CH2 3.57Å; T472-W512 HydrophobicContact CG2-CZ2 3.94Å; T472-W512 HydrophobicContact CG2-CZ3 4.27Å |
| 473 | V | 89.2 | Confident | 85.7 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.7 | -178.3 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | F446 V465 F466 W467 I475 I483 L484 | F446-V473 HydrophobicContact CZ-CG2 4.49Å; V465-V473 HydrophobicContact CG1-CG2 3.41Å; V465-V473 VanDerWaalsContact CG1-CG2 3.41Å; F466-V473 CarbonylContact O-C 3.58Å; F466-V473 VanDerWaalsContact O-CA 3.32Å; F466-V473 WeakPolarHBondContact O-CA 3.39Å; W467-V473 HydrophobicContact CD2-CB 3.93Å; W467-V473 HydrophobicContact CD2-CG2 3.92Å; W467-V473 HydrophobicContact CE3-CB 3.83Å; W467-V473 HydrophobicContact CE3-CG2 4.34Å; W467-V473 HydrophobicContact CG-CG2 4.27Å; W467-V473 HydrophobicContact CH2-CB 4.16Å; W467-V473 HydrophobicContact CH2-CG1 4.25Å; W467-V473 HydrophobicContact CZ2-CB 4.26Å; W467-V473 HydrophobicContact CZ2-CG2 4.14Å; W467-V473 HydrophobicContact CZ3-CB 3.95Å; W467-V473 HydrophobicContact CZ3-CG1 4.31Å; V473-I475 HydrophobicContact CG2-CG1 4.05Å; V473-I483 WeakPolarHBondContact O-CA 3.39Å; V473-L484 HydrophobicContact CG1-CB 3.82Å; V473-L484 PolarHBondContact N-O 2.9Å; V473-L484 PolarHBondContact O-N 2.77Å |
| 474 | C | 90.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.9 | 161.7 | 167.4 | 0 | 0 | 0 | 0 | 107.9 | V465 F466 C481 Y482 I483 W512 F517 | V465-C474 WeakPolarHBondContact CA-O 3.24Å; F466-C474 PolarHBondContact N-O 2.11Å; F466-C474 PolarHBondContact O-N 2.82Å; C474-C481 WeakPolarHBondContact CB-SG 3.28Å; C474-C481 WeakPolarHBondContact SG-CB 3.47Å; C474-C481 CovalentContact SG-SG 2.11Å; C474-C481 PolarHBondContact SG-SG 2.82Å; C474-Y482 CarbonylContact C-O 3.56Å; C474-Y482 VanDerWaalsContact CA-O 3.24Å; C474-Y482 WeakPolarHBondContact CA-O 3.42Å; C474-I483 HydrophobicContact CB-CG1 3.98Å; C474-W512 HydrophobicContact CB-CZ2 4.06Å; C474-F517 HydrophobicContact CB-CD1 4.35Å; C474-F517 HydrophobicContact CB-CD2 4.26Å; C474-F517 HydrophobicContact CB-CE1 4.2Å; C474-F517 HydrophobicContact CB-CE2 4.11Å; C474-F517 HydrophobicContact CB-CG 4.37Å; C474-F517 HydrophobicContact CB-CZ 4.07Å |
| 475 | I | 89.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.2 | 173.6 | -54.8 | 163.8 | 0 | 0 | 0 | 107 | L444 F446 I458 I460 P462 V465 V473 C481 Y482 L484 | L444-I475 HydrophobicContact CD2-CD1 3.84Å; L444-I475 HydrophobicContact CD2-CG1 4.19Å; L444-I475 HydrophobicContact CD2-CG2 3.94Å; F446-I475 HydrophobicContact CE2-CD1 4.23Å; F446-I475 HydrophobicContact CZ-CD1 4.32Å; I458-I475 HydrophobicContact CD1-CD1 3.81Å; I460-I475 HydrophobicContact CD1-CB 4.17Å; I460-I475 HydrophobicContact CD1-CD1 4.07Å; I460-I475 HydrophobicContact CD1-CG2 3.48Å; I460-I475 VanDerWaalsContact CD1-CG2 3.48Å; P462-I475 HydrophobicContact CB-CG2 3.63Å; V465-I475 HydrophobicContact CG1-CG1 4.41Å; V465-I475 HydrophobicContact CG2-CG1 4.47Å; V465-I475 HydrophobicContact CG2-CG2 4.24Å; V473-I475 HydrophobicContact CG2-CG1 4.05Å; I475-C481 CarbonylContact O-C 3.51Å; I475-C481 WeakPolarHBondContact O-CA 3.32Å; I475-Y482 PolarHBondContact N-O 3.35Å; I475-Y482 PolarHBondContact O-N 2.79Å; I475-L484 HydrophobicContact CD1-CD1 3.61Å; I475-L484 HydrophobicContact CD1-CG 4.49Å |
| 476 | T | 87.4 | Confident | 84.7 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 139.3 | 179.3 | 57.1 | 0 | 0 | 0 | 0 | 109.9 | P462 K463 A464 F466 T480 C481 F507 | P462-T476 CarbonylContact C-O 3.52Å; P462-T476 VanDerWaalsContact CA-O 3.24Å; P462-T476 WeakPolarHBondContact CA-O 3.37Å; K463-T476 PolarHBondContact N-O 2.86Å; A464-T476 WeakPolarHBondContact CA-OG1 3.42Å; A464-T476 WeakPolarHBondContact CB-OG1 3.49Å; A464-T476 PolarHBondContact N-OG1 2.84Å; A464-T476 PolarHBondContact O-N 3Å; A464-T476 PolarHBondContact O-OG1 2.85Å; F466-T476 HydrophobicContact CE2-CG2 4.25Å; T476-T480 CarbonylContact C-O 3.57Å; T476-C481 HydrophobicContact CG2-CB 4.12Å; T476-F507 HydrophobicContact CG2-CD2 3.44Å; T476-F507 VanDerWaalsContact CG2-CD2 3.44Å; T476-F507 HydrophobicContact CG2-CE2 3.76Å |
| 477 | T | 85.7 | Confident | 84 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | trans | -110.3 | -169.3 | 168.9 | 69.2 | 0 | 0 | 0 | 0 | 109.2 | I460 D479 T480 Y482 | I460-T477 HydrophobicContact CB-CG2 4.46Å; T477-D479 PolarHBondContact O-N 3.35Å; T477-D479 PolarHBondContact OG1-N 2.93Å; T477-T480 PolarHBondContact N-O 3.09Å; T477-T480 PolarHBondContact OG1-N 2.78Å; T477-T480 PolarHBondContact OG1-O 2.79Å; T477-T480 VanDerWaalsContact OG1-O 3.11Å; T477-T480 PolarHBondContact OG1-OG1 2.9Å; T477-Y482 HydrophobicContact CG2-CD2 4.41Å; T477-Y482 HydrophobicContact CG2-CE2 3.82Å | ||
| 478 | E | 78 | Confident | 83 | Confident | 153 Ų | 153 | 53.5 Ų | 53.5 | 72% | 0.715 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -66 | -27.1 | 172.9 | -68.3 | -167.1 | 161.8 | 0 | 0 | 112.9 | V506 | E478-V506 WeakPolarHBondContact O-CG1 3.37Å; E478-V506 WeakPolarHBondContact O-CG2 3.26Å |
| 479 | D | 75.6 | Confident | 81.8 | Confident | 125 Ų | 125 | 59.9 Ų | 59.9 | 67% | 0.668 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -123.7 | -24.2 | -171.5 | -61.6 | -41.3 | 0 | 0 | 0 | 114 | T477 | T477-D479 PolarHBondContact O-N 3.35Å; T477-D479 PolarHBondContact OG1-N 2.93Å |
| 480 | T | 79.1 | Confident | 80.5 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | trans | -134.8 | 157.4 | -169.5 | 59 | 0 | 0 | 0 | 0 | 113.2 | T476 T477 Y482 A503 | T476-T480 CarbonylContact C-O 3.57Å; T477-T480 PolarHBondContact N-O 3.09Å; T477-T480 PolarHBondContact OG1-N 2.78Å; T477-T480 PolarHBondContact OG1-O 2.79Å; T477-T480 VanDerWaalsContact OG1-O 3.11Å; T477-T480 PolarHBondContact OG1-OG1 2.9Å; T480-Y482 VanDerWaalsContact OG1-CE2 3.24Å; T480-Y482 WeakPolarHBondContact OG1-CE2 3.25Å; T480-Y482 PolarHBondContact OG1-OH 2.8Å; T480-A503 HydrophobicContact CG2-CB 4.23Å | ||
| 481 | C | 82 | Confident | 78.6 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 147.5 | 158.2 | 161.3 | 0 | 0 | 0 | 0 | 110.2 | C474 I475 T476 F507 | C474-C481 WeakPolarHBondContact CB-SG 3.28Å; C474-C481 WeakPolarHBondContact SG-CB 3.47Å; C474-C481 CovalentContact SG-SG 2.11Å; C474-C481 PolarHBondContact SG-SG 2.82Å; I475-C481 CarbonylContact O-C 3.51Å; I475-C481 WeakPolarHBondContact O-CA 3.32Å; T476-C481 HydrophobicContact CG2-CB 4.12Å; C481-F507 HydrophobicContact CB-CD2 4.39Å; C481-F507 HydrophobicContact CB-CE2 3.28Å; C481-F507 HydrophobicContact CB-CZ 3.52Å |
| 482 | Y | 84 | Confident | 76.8 | Confident | 61 Ų | 61 | 59.7 Ų | 59.7 | 24% | 0.239 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.4 | 172.5 | -56.5 | -88.2 | 0 | 0 | 0 | 108.6 | I460 C474 I475 T477 T480 | I460-Y482 HydrophobicContact CD1-CD2 4.17Å; I460-Y482 HydrophobicContact CD1-CE2 4.49Å; I460-Y482 HydrophobicContact CG2-CE2 4.22Å; C474-Y482 CarbonylContact C-O 3.56Å; C474-Y482 VanDerWaalsContact CA-O 3.24Å; C474-Y482 WeakPolarHBondContact CA-O 3.42Å; I475-Y482 PolarHBondContact N-O 3.35Å; I475-Y482 PolarHBondContact O-N 2.79Å; T477-Y482 HydrophobicContact CG2-CD2 4.41Å; T477-Y482 HydrophobicContact CG2-CE2 3.82Å; T480-Y482 VanDerWaalsContact OG1-CE2 3.24Å; T480-Y482 WeakPolarHBondContact OG1-CE2 3.25Å; T480-Y482 PolarHBondContact OG1-OH 2.8Å |
| 483 | I | 85.1 | Confident | 74.3 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 117.7 | 172.3 | -69.1 | 168.5 | 0 | 0 | 0 | 108.2 | T472 V473 C474 W512 F529 | T472-I483 HydrophobicContact CG2-CG2 3.68Å; V473-I483 WeakPolarHBondContact O-CA 3.39Å; C474-I483 HydrophobicContact CB-CG1 3.98Å; I483-W512 HydrophobicContact CD1-CH2 4.43Å; I483-W512 HydrophobicContact CG1-CH2 4.46Å; I483-W512 HydrophobicContact CG2-CH2 3.94Å; I483-F529 HydrophobicContact CD1-CD1 3.13Å; I483-F529 HydrophobicContact CD1-CE1 3.14Å; I483-F529 HydrophobicContact CD1-CG 4Å; I483-F529 HydrophobicContact CD1-CZ 4.02Å; I483-F529 HydrophobicContact CG1-CE1 4.47Å |
| 484 | L | 83.9 | Confident | 71.8 | Confident | 21 Ų | 21 | 65 Ų | 65 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.9 | -175.5 | -50.4 | 175.5 | 0 | 0 | 0 | 109.7 | I458 T472 V473 I475 L495 | I458-L484 HydrophobicContact CD1-CD1 3.76Å; T472-L484 CarbonylContact C-O 3.48Å; T472-L484 WeakPolarHBondContact CA-O 3.48Å; T472-L484 WeakPolarHBondContact CG2-O 3.37Å; V473-L484 HydrophobicContact CG1-CB 3.82Å; V473-L484 PolarHBondContact N-O 2.9Å; V473-L484 PolarHBondContact O-N 2.77Å; I475-L484 HydrophobicContact CD1-CD1 3.61Å; I475-L484 HydrophobicContact CD1-CG 4.49Å; L484-L495 HydrophobicContact CB-CD2 3.8Å; L484-L495 HydrophobicContact CD1-CD2 3.6Å; L484-L495 HydrophobicContact CG-CD2 4.27Å |
| 485 | K | 83 | Confident | 69.7 | Low | 153 Ų | 153 | 65.6 Ų | 65.6 | 67% | 0.665 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.7 | 174.3 | -170.1 | 178.1 | 179.5 | -175 | 0 | 109.8 | ||
| 486 | Y | 82.3 | Confident | 67.4 | Low | 41 Ų | 41 | 72.2 Ų | 72.2 | 16% | 0.161 | 39% | 0.393 | C | S | . | . | trans | -97.3 | 138.3 | 172.1 | 173.9 | -120.9 | 0 | 0 | 0 | 109.9 | T434 L435 V455 W467 D471 L495 | T434-Y486 HydrophobicContact CG2-CD1 3.97Å; T434-Y486 HydrophobicContact CG2-CE1 3.86Å; L435-Y486 HydrophobicContact CD1-CD2 4.2Å; L435-Y486 HydrophobicContact CD1-CE1 4.4Å; L435-Y486 HydrophobicContact CD1-CE2 3.91Å; L435-Y486 HydrophobicContact CG-CE1 4.45Å; V455-Y486 HydrophobicContact CG1-CE2 4.23Å; W467-Y486 HydrophobicContact CH2-CD1 4.49Å; W467-Y486 HydrophobicContact CH2-CG 4.27Å; W467-Y486 HydrophobicContact CZ3-CD1 4.17Å; W467-Y486 HydrophobicContact CZ3-CG 4.14Å; D471-Y486 HydrophobicContact CB-CD1 4.09Å; D471-Y486 VanDerWaalsContact O-CB 3.3Å; D471-Y486 WeakPolarHBondContact O-CB 3.19Å; D471-Y486 PolarHBondContact O-N 2.8Å; Y486-L495 HydrophobicContact CD2-CD1 3.9Å | ||
| 487 | S | 76.9 | Confident | 65.1 | Low | 51 Ų | 51 | 78.6 Ų | 78.6 | 36% | 0.357 | 43% | 0.427 | S | S | . | . | trans | -123.6 | 116.6 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | D489 | S487-D489 VanDerWaalsContact C-N 3.29Š| ||
| 488 | S | 70.4 | Confident | 62.8 | Low | 77 Ų | 77 | 84.7 Ų | 84.7 | 54% | 0.538 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -69.9 | -28 | 178.3 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | V490 | S488-V490 VanDerWaalsContact C-N 3.34Å; S488-V490 PolarHBondContact O-N 3.06Å |
| 489 | D | 63.8 | Low | 61 | Low | 139 Ų | 139 | 78.5 Ų | 78.5 | 74% | 0.743 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -80.2 | -20.7 | -167.1 | -60.4 | -10.7 | 0 | 0 | 0 | 112.1 | S487 T491 | S487-D489 VanDerWaalsContact C-N 3.29Å; D489-T491 PolarHBondContact O-N 2.84Å; D489-T491 VanDerWaalsContact O-N 3.11Å |
| 490 | V | 54.6 | Low | 59.3 | Low | 67 Ų | 67 | 77.6 Ų | 77.6 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -84.8 | 85.7 | 172.3 | -171.4 | 0 | 0 | 0 | 0 | 108 | S488 I492 A494 | S488-V490 VanDerWaalsContact C-N 3.34Å; S488-V490 PolarHBondContact O-N 3.06Å; V490-I492 PolarHBondContact O-N 3.04Å; V490-I492 VanDerWaalsContact O-N 3.08Å; V490-A494 HydrophobicContact CG1-CB 4.37Å |
| 491 | T | 40.5 | Very low | 57.5 | Low | 110 Ų | 110 | 83.8 Ų | 83.8 | 68% | 0.675 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -35.7 | 113 | 175.4 | 2.2 | 0 | 0 | 0 | 0 | 112.4 | D489 S493 | D489-T491 PolarHBondContact O-N 2.84Å; D489-T491 VanDerWaalsContact O-N 3.11Å; T491-S493 PolarHBondContact O-N 3.3Å; T491-S493 PolarHBondContact O-OG 3.02Å; T491-S493 VanDerWaalsContact O-OG 3.09Å |
| 492 | I | 45.2 | Very low | 55.6 | Low | 131 Ų | 131 | 85.5 Ų | 85.5 | 67% | 0.672 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 6 | 153 | -57.6 | 172.2 | 0 | 0 | 0 | 117 | V490 | V490-I492 PolarHBondContact O-N 3.04Å; V490-I492 VanDerWaalsContact O-N 3.08Å |
| 493 | S | 34.5 | Very low | 53.6 | Low | 92 Ų | 92 | 86.2 Ų | 86.2 | 64% | 0.643 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.3 | -1 | -170 | 57.7 | 0 | 0 | 0 | 0 | 120.8 | T491 | T491-S493 PolarHBondContact O-N 3.3Å; T491-S493 PolarHBondContact O-OG 3.02Å; T491-S493 VanDerWaalsContact O-OG 3.09Å |
| 494 | A | 35 | Very low | 52 | Low | 41 Ų | 41 | 87 Ų | 87 | 34% | 0.339 | 49% | 0.486 | S | S | . | . | trans | -152.3 | 113.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V490 | V490-A494 HydrophobicContact CG1-CB 4.37Š| ||
| 495 | L | 46.4 | Very low | 50.2 | Low | 12 Ų | 12 | 91.8 Ų | 91.8 | 6% | 0.063 | 51% | 0.512 | C | S | . | . | trans | -73.9 | 113.4 | 141.4 | -125.1 | 81.4 | 0 | 0 | 0 | 104.7 | R456 I458 L484 Y486 N497 | R456-L495 HydrophobicContact CG-CB 4.3Å; I458-L495 HydrophobicContact CD1-CD2 4.42Å; L484-L495 HydrophobicContact CB-CD2 3.8Å; L484-L495 HydrophobicContact CD1-CD2 3.6Å; L484-L495 HydrophobicContact CG-CD2 4.27Å; Y486-L495 HydrophobicContact CD2-CD1 3.9Å; L495-N497 PolarHBondContact O-N 3.36Å | ||
| 496 | E | 42.4 | Very low | 48.5 | Very low | 140 Ų | 140 | 86.2 Ų | 86.2 | 65% | 0.654 | 49% | 0.49 | S | S | * | . | trans | -63.4 | 131.1 | 173.2 | -75.7 | 179.3 | 157.8 | 0 | 0 | 108.7 | D498 | E496-D498 PolarHBondContact O-N 3.23Š| ||
| 497 | N | 39.4 | Very low | 47.6 | Very low | 140 Ų | 140 | 84.9 Ų | 84.9 | 75% | 0.749 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -76.4 | 34 | -175.3 | -117.7 | 18.3 | 0 | 0 | 0 | 112.2 | L495 G499 | L495-N497 PolarHBondContact O-N 3.36Å; N497-G499 PolarHBondContact O-N 3.43Å |
| 498 | D | 36.2 | Very low | 46.7 | Very low | 146 Ų | 146 | 85.1 Ų | 85.1 | 78% | 0.781 | 49% | 0.49 | S | S | * | . | trans | -83.6 | 23.1 | 173.9 | -82.3 | 0.1 | 0 | 0 | 0 | 111.6 | E496 L500 | E496-D498 PolarHBondContact O-N 3.23Å; D498-L500 PolarHBondContact O-N 3.11Å; D498-L500 VanDerWaalsContact O-N 3.12Å | ||
| 499 | G | 40.1 | Very low | 47.2 | Very low | 23 Ų | 23 | 82.6 Ų | 82.6 | 24% | 0.237 | 47% | 0.472 | C | S | . | . | trans | -69 | 105.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | N497 E501 | N497-G499 PolarHBondContact O-N 3.43Å; G499-E501 PolarHBondContact O-N 3Å | ||
| 500 | L | 40 | Very low | 48.4 | Very low | 107 Ų | 107 | 76.4 Ų | 76.4 | 56% | 0.56 | 44% | 0.441 | S | S | * | . | trans | -53.7 | 109.6 | 166.3 | -83.3 | 145.2 | 0 | 0 | 0 | 108.9 | D498 N502 | D498-L500 PolarHBondContact O-N 3.11Å; D498-L500 VanDerWaalsContact O-N 3.12Å; L500-N502 PolarHBondContact O-N 3.49Å | ||
| 501 | E | 41.1 | Very low | 50.2 | Low | 161 Ų | 161 | 75.1 Ų | 75.1 | 75% | 0.752 | 43% | 0.433 | S | S | * | . | trans | -68.6 | 62.2 | 168.1 | -78.8 | -169.2 | 152 | 0 | 0 | 110.1 | G499 A503 | G499-E501 PolarHBondContact O-N 3Å; E501-A503 PolarHBondContact O-N 3.39Å | ||
| 502 | N | 43.9 | Very low | 52.6 | Low | 46 Ų | 46 | 71.4 Ų | 71.4 | 25% | 0.246 | 41% | 0.407 | C | S | . | . | trans | -92.4 | 94.1 | 174 | -65.2 | -14.6 | 0 | 0 | 0 | 108 | L500 F504 G532 | L500-N502 PolarHBondContact O-N 3.49Å; N502-F504 HydrophobicContact CB-CD2 3.91Å; N502-F504 HydrophobicContact CB-CE2 3.16Å; N502-F504 HydrophobicContact CB-CZ 3.66Å; N502-F504 WeakPolarHBondContact O-CD2 3.16Å; N502-F504 PolarHBondContact O-N 2.9Å; N502-G532 WeakPolarHBondContact ND2-CA 3.44Å | ||
| 503 | A | 41.5 | Very low | 54.7 | Low | 75 Ų | 75 | 65.4 Ų | 65.4 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | trans | -62.8 | 94.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T480 E501 | T480-A503 HydrophobicContact CG2-CB 4.23Å; E501-A503 PolarHBondContact O-N 3.39Å | ||
| 504 | F | 51.4 | Low | 57.1 | Low | 54 Ų | 54 | 63 Ų | 63 | 24% | 0.237 | 37% | 0.366 | C | S | . | . | trans | -105.4 | 145.1 | 167 | -57.1 | -73.9 | 0 | 0 | 0 | 110.7 | N502 F507 F529 G532 T534 | N502-F504 HydrophobicContact CB-CD2 3.91Å; N502-F504 HydrophobicContact CB-CE2 3.16Å; N502-F504 HydrophobicContact CB-CZ 3.66Å; N502-F504 WeakPolarHBondContact O-CD2 3.16Å; N502-F504 PolarHBondContact O-N 2.9Å; F504-F507 HydrophobicContact CB-CE1 4.28Å; F504-F507 HydrophobicContact CB-CZ 4.44Å; F504-F529 AromaticContact CD2-CD2 3.99Å; F504-F529 HydrophobicContact CD2-CD2 3.99Å; F504-F529 HydrophobicContact CD2-CE2 4.05Å; F504-F529 AromaticContact CE2-CD2 3.49Å; F504-F529 HydrophobicContact CE2-CD2 3.49Å; F504-F529 VanDerWaalsContact CE2-CD2 3.49Å; F504-F529 AromaticContact CE2-CE2 3.19Å; F504-F529 HydrophobicContact CE2-CE2 3.19Å; F504-F529 HydrophobicContact CE2-CZ 4.23Å; F504-F529 HydrophobicContact CZ-CD2 4.09Å; F504-F529 AromaticContact CZ-CE2 3.8Å; F504-F529 HydrophobicContact CZ-CE2 3.8Å; F504-G532 VanDerWaalsContact CZ-O 3.29Å; F504-G532 WeakPolarHBondContact CZ-O 3.39Å; F504-T534 WeakPolarHBondContact CD1-OG1 3.48Å; F504-T534 WeakPolarHBondContact CE1-OG1 3.43Å; F504-T534 WeakPolarHBondContact CG-OG1 3.25Å | ||
| 505 | N | 46.1 | Very low | 59.4 | Low | 121 Ų | 121 | 62.6 Ų | 62.6 | 65% | 0.647 | 36% | 0.358 | S | S | * | . | trans | -55.3 | 133 | -171.9 | -64 | -17.9 | 0 | 0 | 0 | 113.6 | F507 | N505-F507 WeakPolarHBondContact O-CD1 3.45Å; N505-F507 WeakPolarHBondContact O-CE1 3.43Å | ||
| 506 | V | 47.6 | Very low | 61.4 | Low | 36 Ų | 36 | 62 Ų | 62 | 22% | 0.218 | 36% | 0.355 | C | S | . | . | trans | -19.6 | 121.2 | 168.3 | -156.1 | 0 | 0 | 0 | 0 | 115.9 | E478 S522 | E478-V506 WeakPolarHBondContact O-CG1 3.37Å; E478-V506 WeakPolarHBondContact O-CG2 3.26Å; V506-S522 PolarHBondContact O-N 3.37Å | ||
| 507 | F | 62 | Low | 63.7 | Low | 14 Ų | 14 | 55.4 Ų | 55.4 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 147.1 | 179 | -29.7 | -46.3 | 0 | 0 | 0 | 111.6 | T476 C481 F504 N505 F517 Y519 T520 | T476-F507 HydrophobicContact CG2-CD2 3.44Å; T476-F507 VanDerWaalsContact CG2-CD2 3.44Å; T476-F507 HydrophobicContact CG2-CE2 3.76Å; C481-F507 HydrophobicContact CB-CD2 4.39Å; C481-F507 HydrophobicContact CB-CE2 3.28Å; C481-F507 HydrophobicContact CB-CZ 3.52Å; F504-F507 HydrophobicContact CB-CE1 4.28Å; F504-F507 HydrophobicContact CB-CZ 4.44Å; N505-F507 WeakPolarHBondContact O-CD1 3.45Å; N505-F507 WeakPolarHBondContact O-CE1 3.43Å; F507-F517 AromaticContact CD2-CE1 3.82Å; F507-F517 HydrophobicContact CD2-CE1 3.82Å; F507-F517 HydrophobicContact CE2-CD1 4.4Å; F507-F517 AromaticContact CE2-CE1 3.8Å; F507-F517 HydrophobicContact CE2-CE1 3.8Å; F507-Y519 HydrophobicContact CB-CD2 4.01Å; F507-Y519 HydrophobicContact CB-CG 4.41Å; F507-Y519 AromaticContact CD1-CD2 3.01Å; F507-Y519 HydrophobicContact CD1-CD2 3.01Å; F507-Y519 AromaticContact CD1-CE2 3.16Å; F507-Y519 HydrophobicContact CD1-CE2 3.16Å; F507-Y519 AromaticContact CD1-CG 3.74Å; F507-Y519 HydrophobicContact CD1-CG 3.74Å; F507-Y519 HydrophobicContact CD2-CD2 4.29Å; F507-Y519 HydrophobicContact CD2-CG 4.25Å; F507-Y519 HydrophobicContact CE1-CD1 4.4Å; F507-Y519 AromaticContact CE1-CD2 3.49Å; F507-Y519 HydrophobicContact CE1-CD2 3.49Å; F507-Y519 VanDerWaalsContact CE1-CD2 3.49Å; F507-Y519 HydrophobicContact CE1-CE1 4.2Å; F507-Y519 AromaticContact CE1-CE2 3.21Å; F507-Y519 HydrophobicContact CE1-CE2 3.21Å; F507-Y519 HydrophobicContact CE1-CG 4.06Å; F507-Y519 AromaticContact CE1-CZ 3.58Å; F507-Y519 AromaticContact CG-CD2 3.51Å; F507-Y519 HydrophobicContact CG-CD2 3.51Å; F507-Y519 HydrophobicContact CG-CE2 4.12Å; F507-Y519 AromaticContact CG-CG 3.87Å; F507-Y519 HydrophobicContact CG-CG 3.87Å; F507-Y519 HydrophobicContact CZ-CD2 4.3Å; F507-Y519 HydrophobicContact CZ-CE1 4.43Å; F507-Y519 HydrophobicContact CZ-CE2 4.17Å; F507-Y519 HydrophobicContact CZ-CG 4.45Å; F507-T520 CarbonylContact C-O 3.5Å; F507-T520 WeakPolarHBondContact CA-O 3.38Å; F507-T520 WeakPolarHBondContact CB-O 2.83Å |
| 508 | A | 59.1 | Low | 66.3 | Low | 55 Ų | 55 | 48.8 Ų | 48.8 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -44.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | T520 | A508-T520 PolarHBondContact N-O 3.33Å |
| 509 | T | 81 | Confident | 69 | Low | 24 Ų | 24 | 42 Ų | 42 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 156.9 | 178 | 54.6 | 0 | 0 | 0 | 0 | 111.1 | Y519 T520 Y545 I546 | T509-Y519 CarbonylContact O-C 3.46Å; T509-Y519 VanDerWaalsContact O-CA 3.26Å; T509-Y519 WeakPolarHBondContact O-CA 3.36Å; T509-Y519 WeakPolarHBondContact O-CB 3.38Å; T509-T520 PolarHBondContact N-OG1 3.47Å; T509-T520 PolarHBondContact O-N 2.96Å; T509-T520 PolarHBondContact O-OG1 3.09Å; T509-T520 PolarHBondContact OG1-OG1 3.16Å; T509-Y545 HydrophobicContact CG2-CD1 3.53Å; T509-Y545 HydrophobicContact CG2-CE1 4.46Å; T509-Y545 HydrophobicContact CG2-CG 4.21Å; T509-I546 PolarHBondContact OG1-N 3.21Å |
| 510 | G | 89.1 | Confident | 71.4 | Confident | 9 Ų | 9 | 41 Ų | 41 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 159.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F466 V518 | F466-G510 WeakPolarHBondContact CD1-O 3.49Å; F466-G510 VanDerWaalsContact CE1-O 3.27Å; F466-G510 WeakPolarHBondContact CE1-O 3.45Å; G510-V518 CarbonylContact C-O 3.58Å; G510-V518 WeakPolarHBondContact CA-O 3.25Å |
| 511 | T | 91.6 | Very high | 73.6 | Confident | 40 Ų | 40 | 36.2 Ų | 36.2 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 154.9 | 175.4 | -163.4 | 0 | 0 | 0 | 0 | 111.1 | V513 V518 I546 L556 | T511-V513 HydrophobicContact CG2-CG2 4.45Å; T511-V518 HydrophobicContact CG2-CB 4.47Å; T511-V518 PolarHBondContact N-O 3.41Å; T511-V518 PolarHBondContact O-N 3.46Å; T511-I546 HydrophobicContact CG2-CG2 3.62Å; T511-L556 HydrophobicContact CG2-CD1 4.18Å |
| 512 | W | 91.4 | Very high | 75.5 | Confident | 33 Ų | 33 | 33.1 Ų | 33.1 | 13% | 0.125 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 134.6 | 174.9 | -71.4 | 96.4 | 0 | 0 | 0 | 110.9 | F466 S468 T472 C474 I483 D515 F517 | F466-W512 PolarHBondContact O-NE1 3.08Å; S468-W512 VanDerWaalsContact CB-CG 3.46Å; T472-W512 HydrophobicContact CG2-CH2 3.57Å; T472-W512 HydrophobicContact CG2-CZ2 3.94Å; T472-W512 HydrophobicContact CG2-CZ3 4.27Å; C474-W512 HydrophobicContact CB-CZ2 4.06Å; I483-W512 HydrophobicContact CD1-CH2 4.43Å; I483-W512 HydrophobicContact CG1-CH2 4.46Å; I483-W512 HydrophobicContact CG2-CH2 3.94Å; W512-D515 WeakPolarHBondContact CZ3-O 3.43Å; W512-F517 AromaticContact CD1-CD2 3.95Å; W512-F517 HydrophobicContact CD2-CB 4.28Å; W512-F517 AromaticContact CD2-CD2 3.79Å; W512-F517 HydrophobicContact CD2-CD2 3.79Å; W512-F517 AromaticContact CE2-CD2 3.6Å; W512-F517 HydrophobicContact CE3-CB 4.05Å; W512-F517 HydrophobicContact CE3-CD2 4.41Å; W512-F517 HydrophobicContact CG-CD2 4.03Å; W512-F517 HydrophobicContact CH2-CB 4.05Å; W512-F517 HydrophobicContact CZ2-CB 4.28Å; W512-F517 HydrophobicContact CZ2-CD2 4.07Å; W512-F517 HydrophobicContact CZ2-CG 4.42Å; W512-F517 HydrophobicContact CZ3-CB 3.93Å; W512-F517 AromaticContact NE1-CD2 3.71Å |
| 513 | V | 90 | Very high | 77.3 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 93.2 | 169 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | T511 D515 C516 V518 Y549 L572 L575 | T511-V513 HydrophobicContact CG2-CG2 4.45Å; V513-D515 PolarHBondContact O-N 3.36Å; V513-C516 PolarHBondContact N-O 3.02Å; V513-C516 WeakPolarHBondContact O-CB 3.41Å; V513-C516 PolarHBondContact O-N 3.03Å; V513-V518 HydrophobicContact CB-CG2 4.25Å; V513-V518 HydrophobicContact CG2-CG2 3.75Å; V513-Y549 HydrophobicContact CB-CD1 4.37Å; V513-Y549 HydrophobicContact CG1-CD1 3.52Å; V513-Y549 HydrophobicContact CG1-CD2 4.44Å; V513-Y549 HydrophobicContact CG1-CE1 3.53Å; V513-Y549 HydrophobicContact CG1-CE2 4.46Å; V513-Y549 HydrophobicContact CG1-CG 3.99Å; V513-Y549 HydrophobicContact CG2-CD1 3.95Å; V513-Y549 HydrophobicContact CG2-CD2 4.19Å; V513-Y549 HydrophobicContact CG2-CG 3.66Å; V513-L572 HydrophobicContact CG1-CD1 3.88Å; V513-L575 HydrophobicContact CB-CD1 4.07Å; V513-L575 HydrophobicContact CG1-CD1 3.6Å |
| 514 | G | 83.6 | Confident | 79.4 | Confident | 42 Ų | 42 | 32.3 Ų | 32.3 | 43% | 0.433 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | -120.8 | -165.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 515 | D | 83.4 | Confident | 81.2 | Confident | 32 Ų | 32 | 35 Ų | 35 | 17% | 0.171 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 1.3 | 176.2 | -66.1 | -62.7 | 0 | 0 | 0 | 114.2 | M470 W512 V513 T579 R583 | M470-D515 WeakPolarHBondContact CE-OD1 3.11Å; M470-D515 WeakPolarHBondContact CE-OD2 3.38Å; W512-D515 WeakPolarHBondContact CZ3-O 3.43Å; V513-D515 PolarHBondContact O-N 3.36Å; D515-T579 HydrophobicContact CB-CG2 3.55Å; D515-T579 VanDerWaalsContact OD2-CG2 3.23Å; D515-T579 WeakPolarHBondContact OD2-CG2 3.41Å; D515-R583 IonicContact OD1-CZ 3.33Å; D515-R583 IonicContact OD1-NH2 4Å; D515-R583 PolarHBondContact OD1-NH2 3.36Å; D515-R583 IonicContact OD2-CZ 2.83Å; D515-R583 IonicContact OD2-NH1 3.71Å; D515-R583 PolarHBondContact OD2-NH1 2.98Å; D515-R583 VanDerWaalsContact OD2-NH1 3.12Å; D515-R583 IonicContact OD2-NH2 2.87Å; D515-R583 PolarHBondContact OD2-NH2 3.41Å |
| 516 | C | 89.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126.3 | -179.5 | -56.5 | 0 | 0 | 0 | 0 | 108.9 | V513 F529 V530 L575 T579 | V513-C516 PolarHBondContact N-O 3.02Å; V513-C516 WeakPolarHBondContact O-CB 3.41Å; V513-C516 PolarHBondContact O-N 3.03Å; C516-F529 WeakPolarHBondContact CA-O 3.47Å; C516-V530 HydrophobicContact CB-CG2 3.87Å; C516-V530 WeakPolarHBondContact SG-CG2 3.34Å; C516-L575 HydrophobicContact CB-CD1 4.35Å; C516-L575 HydrophobicContact CB-CD2 4.14Å; C516-T579 PolarHBondContact SG-OG1 3.28Å |
| 517 | F | 91.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 111.9 | 174.2 | -172.6 | -110.2 | 0 | 0 | 0 | 109.6 | F466 C474 F507 W512 Y519 Y528 F529 | F466-F517 HydrophobicContact CB-CE2 3.73Å; F466-F517 HydrophobicContact CB-CZ 4.28Å; F466-F517 AromaticContact CD2-CE2 3.97Å; F466-F517 HydrophobicContact CD2-CE2 3.97Å; F466-F517 AromaticContact CD2-CZ 3.62Å; F466-F517 HydrophobicContact CD2-CZ 3.62Å; F466-F517 HydrophobicContact CE2-CZ 4.14Å; F466-F517 AromaticContact CG-CE2 3.89Å; F466-F517 HydrophobicContact CG-CE2 3.89Å; F466-F517 HydrophobicContact CG-CZ 4.02Å; C474-F517 HydrophobicContact CB-CD1 4.35Å; C474-F517 HydrophobicContact CB-CD2 4.26Å; C474-F517 HydrophobicContact CB-CE1 4.2Å; C474-F517 HydrophobicContact CB-CE2 4.11Å; C474-F517 HydrophobicContact CB-CG 4.37Å; C474-F517 HydrophobicContact CB-CZ 4.07Å; F507-F517 AromaticContact CD2-CE1 3.82Å; F507-F517 HydrophobicContact CD2-CE1 3.82Å; F507-F517 HydrophobicContact CE2-CD1 4.4Å; F507-F517 AromaticContact CE2-CE1 3.8Å; F507-F517 HydrophobicContact CE2-CE1 3.8Å; W512-F517 AromaticContact CD1-CD2 3.95Å; W512-F517 HydrophobicContact CD2-CB 4.28Å; W512-F517 AromaticContact CD2-CD2 3.79Å; W512-F517 HydrophobicContact CD2-CD2 3.79Å; W512-F517 AromaticContact CE2-CD2 3.6Å; W512-F517 HydrophobicContact CE3-CB 4.05Å; W512-F517 HydrophobicContact CE3-CD2 4.41Å; W512-F517 HydrophobicContact CG-CD2 4.03Å; W512-F517 HydrophobicContact CH2-CB 4.05Å; W512-F517 HydrophobicContact CZ2-CB 4.28Å; W512-F517 HydrophobicContact CZ2-CD2 4.07Å; W512-F517 HydrophobicContact CZ2-CG 4.42Å; W512-F517 HydrophobicContact CZ3-CB 3.93Å; W512-F517 AromaticContact NE1-CD2 3.71Å; F517-Y519 AromaticContact CD1-CD1 3.85Å; F517-Y519 HydrophobicContact CD1-CD1 3.85Å; F517-Y519 HydrophobicContact CD1-CG 4.39Å; F517-Y519 HydrophobicContact CE1-CD1 4.23Å; F517-Y519 HydrophobicContact CE1-CG 4.31Å; F517-Y528 CarbonylContact O-C 3.45Å; F517-Y528 VanDerWaalsContact O-CA 3.24Å; F517-Y528 WeakPolarHBondContact O-CA 3.5Å; F517-F529 HydrophobicContact CB-CB 4.44Å; F517-F529 PolarHBondContact N-O 3.26Å; F517-F529 PolarHBondContact O-N 3.14Å |
| 518 | V | 93.2 | Very high | 87 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.2 | -180 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | G510 T511 V513 L526 N527 I546 L556 L570 | G510-V518 CarbonylContact C-O 3.58Å; G510-V518 WeakPolarHBondContact CA-O 3.25Å; T511-V518 HydrophobicContact CG2-CB 4.47Å; T511-V518 PolarHBondContact N-O 3.41Å; T511-V518 PolarHBondContact O-N 3.46Å; V513-V518 HydrophobicContact CB-CG2 4.25Å; V513-V518 HydrophobicContact CG2-CG2 3.75Å; V518-L526 HydrophobicContact CG1-CD1 4.01Å; V518-N527 WeakPolarHBondContact CA-O 3.05Å; V518-I546 HydrophobicContact CG1-CD1 4.28Å; V518-L556 HydrophobicContact CG1-CD1 4.26Å; V518-L556 HydrophobicContact CG1-CD2 3.64Å; V518-L570 HydrophobicContact CG1-CD2 4.37Å; V518-L570 HydrophobicContact CG2-CD2 3.8Å |
| 519 | Y | 92.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 158.3 | -172.4 | 66.4 | -90.8 | 0 | 0 | 0 | 113.7 | F507 T509 F517 T521 N527 F529 T534 | F507-Y519 HydrophobicContact CB-CD2 4.01Å; F507-Y519 HydrophobicContact CB-CG 4.41Å; F507-Y519 AromaticContact CD1-CD2 3.01Å; F507-Y519 HydrophobicContact CD1-CD2 3.01Å; F507-Y519 AromaticContact CD1-CE2 3.16Å; F507-Y519 HydrophobicContact CD1-CE2 3.16Å; F507-Y519 AromaticContact CD1-CG 3.74Å; F507-Y519 HydrophobicContact CD1-CG 3.74Å; F507-Y519 HydrophobicContact CD2-CD2 4.29Å; F507-Y519 HydrophobicContact CD2-CG 4.25Å; F507-Y519 HydrophobicContact CE1-CD1 4.4Å; F507-Y519 AromaticContact CE1-CD2 3.49Å; F507-Y519 HydrophobicContact CE1-CD2 3.49Å; F507-Y519 VanDerWaalsContact CE1-CD2 3.49Å; F507-Y519 HydrophobicContact CE1-CE1 4.2Å; F507-Y519 AromaticContact CE1-CE2 3.21Å; F507-Y519 HydrophobicContact CE1-CE2 3.21Å; F507-Y519 HydrophobicContact CE1-CG 4.06Å; F507-Y519 AromaticContact CE1-CZ 3.58Å; F507-Y519 AromaticContact CG-CD2 3.51Å; F507-Y519 HydrophobicContact CG-CD2 3.51Å; F507-Y519 HydrophobicContact CG-CE2 4.12Å; F507-Y519 AromaticContact CG-CG 3.87Å; F507-Y519 HydrophobicContact CG-CG 3.87Å; F507-Y519 HydrophobicContact CZ-CD2 4.3Å; F507-Y519 HydrophobicContact CZ-CE1 4.43Å; F507-Y519 HydrophobicContact CZ-CE2 4.17Å; F507-Y519 HydrophobicContact CZ-CG 4.45Å; T509-Y519 CarbonylContact O-C 3.46Å; T509-Y519 VanDerWaalsContact O-CA 3.26Å; T509-Y519 WeakPolarHBondContact O-CA 3.36Å; T509-Y519 WeakPolarHBondContact O-CB 3.38Å; F517-Y519 AromaticContact CD1-CD1 3.85Å; F517-Y519 HydrophobicContact CD1-CD1 3.85Å; F517-Y519 HydrophobicContact CD1-CG 4.39Å; F517-Y519 HydrophobicContact CE1-CD1 4.23Å; F517-Y519 HydrophobicContact CE1-CG 4.31Å; Y519-T521 HydrophobicContact CD2-CG2 4.06Å; Y519-T521 HydrophobicContact CE2-CG2 3.7Å; Y519-N527 HydrophobicContact CD1-CB 4.36Å; Y519-N527 HydrophobicContact CD2-CB 4.19Å; Y519-N527 HydrophobicContact CE1-CB 3.86Å; Y519-N527 HydrophobicContact CE2-CB 3.68Å; Y519-N527 PolarHBondContact N-O 2.96Å; Y519-N527 PolarHBondContact O-N 3.49Å; Y519-N527 VanDerWaalsContact O-O 3.08Å; Y519-F529 HydrophobicContact CE1-CB 4.07Å; Y519-T534 WeakPolarHBondContact OH-CG2 3.27Å; Y519-T534 PolarHBondContact OH-OG1 2.67Å |
| 520 | T | 91.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 143.7 | 172 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | F507 A508 T509 R525 L526 L540 L544 I546 L558 | F507-T520 CarbonylContact C-O 3.5Å; F507-T520 WeakPolarHBondContact CA-O 3.38Å; F507-T520 WeakPolarHBondContact CB-O 2.83Å; A508-T520 PolarHBondContact N-O 3.33Å; T509-T520 PolarHBondContact N-OG1 3.47Å; T509-T520 PolarHBondContact O-N 2.96Å; T509-T520 PolarHBondContact O-OG1 3.09Å; T509-T520 PolarHBondContact OG1-OG1 3.16Å; T520-R525 CarbonylContact C-O 3.57Å; T520-R525 VanDerWaalsContact CA-O 3.25Å; T520-R525 WeakPolarHBondContact CA-O 3.29Å; T520-L526 HydrophobicContact CG2-CD1 4.05Å; T520-L540 HydrophobicContact CG2-CD1 4.14Å; T520-L544 PolarHBondContact OG1-O 2.89Å; T520-I546 HydrophobicContact CG2-CD1 4.05Å; T520-I546 HydrophobicContact CG2-CG1 3.93Å; T520-L558 HydrophobicContact CG2-CD2 3.79Å |
| 521 | T | 86.8 | Confident | 87.8 | Confident | 6 Ų | 6 | 26.2 Ų | 26.2 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 161.5 | 178 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | Y519 S523 N524 R525 | Y519-T521 HydrophobicContact CD2-CG2 4.06Å; Y519-T521 HydrophobicContact CE2-CG2 3.7Å; T521-S523 PolarHBondContact O-N 2.71Å; T521-S523 PolarHBondContact OG1-N 3.32Å; T521-S523 PolarHBondContact OG1-OG 3.13Å; T521-N524 PolarHBondContact O-N 3.43Å; T521-R525 PolarHBondContact N-O 2.73Å; T521-R525 WeakPolarHBondContact OG1-CB 3.33Å; T521-R525 PolarHBondContact OG1-N 3.11Å; T521-R525 VanDerWaalsContact OG1-N 3.15Å |
| 522 | S | 80 | Confident | 87 | Confident | 96 Ų | 96 | 25.1 Ų | 25.1 | 67% | 0.671 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21.6 | 169.9 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | V506 N524 | V506-S522 PolarHBondContact O-N 3.37Å; S522-N524 PolarHBondContact O-N 2.68Å |
| 523 | S | 81.6 | Confident | 86.3 | Confident | 65 Ų | 65 | 25.7 Ų | 25.7 | 46% | 0.455 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 18.5 | 173.8 | 68.9 | 0 | 0 | 0 | 0 | 114.1 | T521 R525 | T521-S523 PolarHBondContact O-N 2.71Å; T521-S523 PolarHBondContact OG1-N 3.32Å; T521-S523 PolarHBondContact OG1-OG 3.13Å; S523-R525 PolarHBondContact O-N 3.33Å |
| 524 | N | 85.1 | Confident | 86.1 | Confident | 40 Ų | 40 | 27.2 Ų | 27.2 | 21% | 0.214 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 54.3 | 49.3 | -179.1 | -64.4 | -17.3 | 0 | 0 | 0 | 112.5 | T521 S522 L540 P543 | T521-N524 PolarHBondContact O-N 3.43Å; S522-N524 PolarHBondContact O-N 2.68Å; N524-L540 HydrophobicContact CB-CB 4.06Å; N524-L540 VanDerWaalsContact CB-O 3.3Å; N524-L540 WeakPolarHBondContact CB-O 3.36Å; N524-L540 WeakPolarHBondContact O-CA 3.5Å; N524-L540 VanDerWaalsContact O-CB 3.28Å; N524-L540 WeakPolarHBondContact O-CB 3.35Å; N524-L540 PolarHBondContact O-N 3.33Å; N524-P543 WeakPolarHBondContact OD1-CA 3.22Å |
| 525 | R | 90.4 | Very high | 86.3 | Confident | 110 Ų | 110 | 25.9 Ų | 25.9 | 42% | 0.415 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.4 | 172.4 | -56.3 | -178 | -176.3 | -169.6 | -0 | 110.6 | T520 T521 S523 | T520-R525 CarbonylContact C-O 3.57Å; T520-R525 VanDerWaalsContact CA-O 3.25Å; T520-R525 WeakPolarHBondContact CA-O 3.29Å; T521-R525 PolarHBondContact N-O 2.73Å; T521-R525 WeakPolarHBondContact OG1-CB 3.33Å; T521-R525 PolarHBondContact OG1-N 3.11Å; T521-R525 VanDerWaalsContact OG1-N 3.15Å; S523-R525 PolarHBondContact O-N 3.33Å |
| 526 | L | 93.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.1 | 168.1 | 177.2 | 62.7 | 0 | 0 | 0 | 108.9 | V518 T520 V537 A538 L540 I546 L556 L558 Y568 | V518-L526 HydrophobicContact CG1-CD1 4.01Å; T520-L526 HydrophobicContact CG2-CD1 4.05Å; L526-V537 HydrophobicContact CB-CB 4.48Å; L526-V537 HydrophobicContact CD2-CB 4.04Å; L526-V537 HydrophobicContact CD2-CG1 3.99Å; L526-V537 HydrophobicContact CG-CB 3.98Å; L526-V537 HydrophobicContact CG-CG1 4.48Å; L526-V537 HydrophobicContact CG-CG2 4.42Å; L526-V537 PolarHBondContact O-N 3.07Å; L526-A538 HydrophobicContact CB-CB 4.43Å; L526-A538 PolarHBondContact N-O 3.26Å; L526-A538 PolarHBondContact O-N 3.3Å; L526-L540 HydrophobicContact CB-CD1 4.32Å; L526-L540 HydrophobicContact CB-CD2 4.16Å; L526-L540 HydrophobicContact CB-CG 4.39Å; L526-I546 HydrophobicContact CD1-CD1 4.23Å; L526-L556 HydrophobicContact CD1-CD2 3.61Å; L526-L556 HydrophobicContact CD2-CD2 3.91Å; L526-L556 HydrophobicContact CG-CD2 4.34Å; L526-L558 HydrophobicContact CD1-CD2 4.36Å; L526-Y568 HydrophobicContact CD2-CD1 4.43Å; L526-Y568 HydrophobicContact CD2-CD2 3.88Å; L526-Y568 HydrophobicContact CD2-CE2 4.49Å; L526-Y568 HydrophobicContact CD2-CG 3.83Å |
| 527 | N | 92.2 | Very high | 86.7 | Confident | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.053 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 163.1 | -178.2 | -64.2 | -30.1 | 0 | 0 | 0 | 110.5 | V518 Y519 T534 V535 T536 | V518-N527 WeakPolarHBondContact CA-O 3.05Å; Y519-N527 HydrophobicContact CD1-CB 4.36Å; Y519-N527 HydrophobicContact CD2-CB 4.19Å; Y519-N527 HydrophobicContact CE1-CB 3.86Å; Y519-N527 HydrophobicContact CE2-CB 3.68Å; Y519-N527 PolarHBondContact N-O 2.96Å; Y519-N527 PolarHBondContact O-N 3.49Å; Y519-N527 VanDerWaalsContact O-O 3.08Å; N527-T534 HydrophobicContact CB-CG2 4.04Å; N527-V535 CarbonylContact C-O 3.57Å; N527-V535 VanDerWaalsContact CA-O 3.27Å; N527-V535 WeakPolarHBondContact CA-O 3.35Å; N527-T536 WeakPolarHBondContact OD1-CA 3.24Å; N527-T536 VanDerWaalsContact OD1-CB 3.31Å; N527-T536 WeakPolarHBondContact OD1-CB 3.49Å; N527-T536 WeakPolarHBondContact OD1-CG2 3.48Å; N527-T536 PolarHBondContact OD1-OG1 3.08Å |
| 528 | Y | 91.9 | Very high | 86.8 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 153.1 | 159.2 | 67.5 | -107.4 | 0 | 0 | 0 | 110.5 | F517 V530 V535 V537 L570 L575 Q578 R603 | F517-Y528 CarbonylContact O-C 3.45Å; F517-Y528 VanDerWaalsContact O-CA 3.24Å; F517-Y528 WeakPolarHBondContact O-CA 3.5Å; Y528-V530 HydrophobicContact CD2-CG2 3.58Å; Y528-V530 HydrophobicContact CE2-CG2 3.67Å; Y528-V535 HydrophobicContact CD1-CB 4.5Å; Y528-V535 HydrophobicContact CD2-CB 4.19Å; Y528-V535 HydrophobicContact CD2-CG2 4.46Å; Y528-V535 HydrophobicContact CE1-CB 4.03Å; Y528-V535 HydrophobicContact CE1-CG1 4.17Å; Y528-V535 HydrophobicContact CE2-CB 3.68Å; Y528-V535 HydrophobicContact CE2-CG1 4.46Å; Y528-V535 HydrophobicContact CE2-CG2 3.71Å; Y528-V535 PolarHBondContact N-O 2.85Å; Y528-V535 PolarHBondContact O-N 2.99Å; Y528-V537 HydrophobicContact CD1-CG2 3.47Å; Y528-V537 VanDerWaalsContact CD1-CG2 3.47Å; Y528-V537 HydrophobicContact CE1-CG2 3.93Å; Y528-L570 HydrophobicContact CD1-CD1 3.91Å; Y528-L570 HydrophobicContact CE1-CD1 3.95Å; Y528-L575 HydrophobicContact CD1-CD2 4.24Å; Y528-L575 HydrophobicContact CD2-CD2 4.15Å; Y528-L575 HydrophobicContact CE1-CD2 4.12Å; Y528-L575 HydrophobicContact CE2-CD2 4.04Å; Y528-L575 HydrophobicContact CG-CD2 4.26Å; Y528-Q578 VanDerWaalsContact CZ-OE1 3.32Å; Y528-Q578 PolarHBondContact OH-NE2 2.92Å; Y528-Q578 PolarHBondContact OH-OE1 3.08Å; Y528-R603 PolarHBondContact OH-NH2 3.33Å |
| 529 | F | 87.5 | Confident | 86.7 | Confident | 18 Ų | 18 | 35.8 Ų | 35.8 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130 | 177.7 | 174.6 | -94.3 | 0 | 0 | 0 | 110.4 | I483 F504 C516 F517 Y519 G532 D533 | I483-F529 HydrophobicContact CD1-CD1 3.13Å; I483-F529 HydrophobicContact CD1-CE1 3.14Å; I483-F529 HydrophobicContact CD1-CG 4Å; I483-F529 HydrophobicContact CD1-CZ 4.02Å; I483-F529 HydrophobicContact CG1-CE1 4.47Å; F504-F529 AromaticContact CD2-CD2 3.99Å; F504-F529 HydrophobicContact CD2-CD2 3.99Å; F504-F529 HydrophobicContact CD2-CE2 4.05Å; F504-F529 AromaticContact CE2-CD2 3.49Å; F504-F529 HydrophobicContact CE2-CD2 3.49Å; F504-F529 VanDerWaalsContact CE2-CD2 3.49Å; F504-F529 AromaticContact CE2-CE2 3.19Å; F504-F529 HydrophobicContact CE2-CE2 3.19Å; F504-F529 HydrophobicContact CE2-CZ 4.23Å; F504-F529 HydrophobicContact CZ-CD2 4.09Å; F504-F529 AromaticContact CZ-CE2 3.8Å; F504-F529 HydrophobicContact CZ-CE2 3.8Å; C516-F529 WeakPolarHBondContact CA-O 3.47Å; F517-F529 HydrophobicContact CB-CB 4.44Å; F517-F529 PolarHBondContact N-O 3.26Å; F517-F529 PolarHBondContact O-N 3.14Å; Y519-F529 HydrophobicContact CE1-CB 4.07Å; F529-G532 VanDerWaalsContact CE2-N 3.34Å; F529-D533 WeakPolarHBondContact CA-O 3.41Å; F529-D533 WeakPolarHBondContact CD2-O 3.28Å |
| 530 | V | 84.5 | Confident | 86.6 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 119.9 | 173.5 | -169.9 | 0 | 0 | 0 | 0 | 109.5 | C516 Y528 G532 D533 Q578 M582 | C516-V530 HydrophobicContact CB-CG2 3.87Å; C516-V530 WeakPolarHBondContact SG-CG2 3.34Å; Y528-V530 HydrophobicContact CD2-CG2 3.58Å; Y528-V530 HydrophobicContact CE2-CG2 3.67Å; V530-G532 PolarHBondContact O-N 3.2Å; V530-D533 PolarHBondContact N-O 3.45Å; V530-D533 PolarHBondContact O-N 3.17Å; V530-Q578 HydrophobicContact CG1-CB 4.17Å; V530-M582 HydrophobicContact CG1-CG 4.04Å |
| 531 | G | 73.5 | Confident | 86.1 | Confident | 41 Ų | 41 | 41.9 Ų | 41.9 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 19.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | M582 | G531-M582 VanDerWaalsContact C-CE 3.44Å; G531-M582 WeakPolarHBondContact O-CE 3.48Å |
| 532 | G | 73.9 | Confident | 85.8 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 114.8 | -15 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N502 F504 F529 V530 | N502-G532 WeakPolarHBondContact ND2-CA 3.44Å; F504-G532 VanDerWaalsContact CZ-O 3.29Å; F504-G532 WeakPolarHBondContact CZ-O 3.39Å; F529-G532 VanDerWaalsContact CE2-N 3.34Å; V530-G532 PolarHBondContact O-N 3.2Å |
| 533 | D | 78.6 | Confident | 85.9 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 136.5 | 177.8 | -86 | -9.2 | 0 | 0 | 0 | 111.8 | F529 V530 Q611 | F529-D533 WeakPolarHBondContact CA-O 3.41Å; F529-D533 WeakPolarHBondContact CD2-O 3.28Å; V530-D533 PolarHBondContact N-O 3.45Å; V530-D533 PolarHBondContact O-N 3.17Å; D533-Q611 PolarHBondContact OD2-NE2 2.91Å |
| 534 | T | 85.7 | Confident | 86.2 | Confident | 38 Ų | 38 | 40.8 Ų | 40.8 | 23% | 0.233 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 130.4 | 167 | -72.2 | 0 | 0 | 0 | 0 | 110 | F504 Y519 N527 | F504-T534 WeakPolarHBondContact CD1-OG1 3.48Å; F504-T534 WeakPolarHBondContact CE1-OG1 3.43Å; F504-T534 WeakPolarHBondContact CG-OG1 3.25Å; Y519-T534 WeakPolarHBondContact OH-CG2 3.27Å; Y519-T534 PolarHBondContact OH-OG1 2.67Å; N527-T534 HydrophobicContact CB-CG2 4.04Å |
| 535 | V | 87.7 | Confident | 86.4 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 9% | 0.085 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.3 | 176.7 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | N527 Y528 | N527-V535 CarbonylContact C-O 3.57Å; N527-V535 VanDerWaalsContact CA-O 3.27Å; N527-V535 WeakPolarHBondContact CA-O 3.35Å; Y528-V535 HydrophobicContact CD1-CB 4.5Å; Y528-V535 HydrophobicContact CD2-CB 4.19Å; Y528-V535 HydrophobicContact CD2-CG2 4.46Å; Y528-V535 HydrophobicContact CE1-CB 4.03Å; Y528-V535 HydrophobicContact CE1-CG1 4.17Å; Y528-V535 HydrophobicContact CE2-CB 3.68Å; Y528-V535 HydrophobicContact CE2-CG1 4.46Å; Y528-V535 HydrophobicContact CE2-CG2 3.71Å; Y528-V535 PolarHBondContact N-O 2.85Å; Y528-V535 PolarHBondContact O-N 2.99Å |
| 536 | T | 90.6 | Very high | 86.6 | Confident | 55 Ų | 55 | 35.8 Ų | 35.8 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129.1 | 173.4 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | N527 | N527-T536 WeakPolarHBondContact OD1-CA 3.24Å; N527-T536 VanDerWaalsContact OD1-CB 3.31Å; N527-T536 WeakPolarHBondContact OD1-CB 3.49Å; N527-T536 WeakPolarHBondContact OD1-CG2 3.48Å; N527-T536 PolarHBondContact OD1-OG1 3.08Å |
| 537 | V | 90.7 | Very high | 86.5 | Confident | 36 Ų | 36 | 37 Ų | 37 | 22% | 0.218 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -47.9 | 174.2 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | L526 Y528 L570 | L526-V537 HydrophobicContact CB-CB 4.48Å; L526-V537 HydrophobicContact CD2-CB 4.04Å; L526-V537 HydrophobicContact CD2-CG1 3.99Å; L526-V537 HydrophobicContact CG-CB 3.98Å; L526-V537 HydrophobicContact CG-CG1 4.48Å; L526-V537 HydrophobicContact CG-CG2 4.42Å; L526-V537 PolarHBondContact O-N 3.07Å; Y528-V537 HydrophobicContact CD1-CG2 3.47Å; Y528-V537 VanDerWaalsContact CD1-CG2 3.47Å; Y528-V537 HydrophobicContact CE1-CG2 3.93Å; V537-L570 HydrophobicContact CG2-CD1 4.19Å |
| 538 | A | 92.5 | Very high | 86.5 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 152.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L526 L540 Y568 | L526-A538 HydrophobicContact CB-CB 4.43Å; L526-A538 PolarHBondContact N-O 3.26Å; L526-A538 PolarHBondContact O-N 3.3Å; A538-L540 HydrophobicContact CB-CD2 4.3Å; A538-Y568 HydrophobicContact CB-CD1 3.88Å; A538-Y568 HydrophobicContact CB-CE1 3.39Å |
| 539 | H | 91.9 | Very high | 86.6 | Confident | 132 Ų | 132 | 38.1 Ų | 38.1 | 61% | 0.611 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.8 | 163.5 | -65 | -83.4 | 0 | 0 | 0 | 108.1 | ||
| 540 | L | 88.1 | Confident | 86.8 | Confident | 15 Ų | 15 | 37.3 Ų | 37.3 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | trans | -98.3 | 143.9 | -176.5 | -45.2 | 174.4 | 0 | 0 | 0 | 109 | T520 N524 L526 A538 L544 Y568 | T520-L540 HydrophobicContact CG2-CD1 4.14Å; N524-L540 HydrophobicContact CB-CB 4.06Å; N524-L540 VanDerWaalsContact CB-O 3.3Å; N524-L540 WeakPolarHBondContact CB-O 3.36Å; N524-L540 WeakPolarHBondContact O-CA 3.5Å; N524-L540 VanDerWaalsContact O-CB 3.28Å; N524-L540 WeakPolarHBondContact O-CB 3.35Å; N524-L540 PolarHBondContact O-N 3.33Å; L526-L540 HydrophobicContact CB-CD1 4.32Å; L526-L540 HydrophobicContact CB-CD2 4.16Å; L526-L540 HydrophobicContact CB-CG 4.39Å; A538-L540 HydrophobicContact CB-CD2 4.3Å; L540-L544 HydrophobicContact CD1-CB 4.02Å; L540-L544 HydrophobicContact CD1-CD1 4.06Å; L540-L544 HydrophobicContact CD1-CG 4.1Å; L540-L544 HydrophobicContact CD2-CD1 3.93Å; L540-L544 HydrophobicContact CG-CD1 4.42Å; L540-Y568 HydrophobicContact CD2-CE2 3.81Å; L540-Y568 VanDerWaalsContact CD2-OH 3.3Å; L540-Y568 WeakPolarHBondContact CD2-OH 3.45Å | ||
| 541 | D | 82.2 | Confident | 87 | Confident | 120 Ų | 120 | 40.7 Ų | 40.7 | 64% | 0.642 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -79.7 | -29 | 176.4 | 59.8 | -25.6 | 0 | 0 | 0 | 112.3 | ||
| 542 | R | 79.7 | Confident | 87.7 | Confident | 84 Ų | 84 | 43 Ų | 43 | 32% | 0.317 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -135.5 | 165.3 | 178.7 | 61.4 | -179.6 | 165.3 | -81.9 | -0.1 | 112.4 | L544 D560 | R542-L544 HydrophobicContact CG-CD2 3.98Å; R542-L544 PolarHBondContact O-N 3.41Å; R542-D560 IonicContact CZ-OD2 2.82Å; R542-D560 IonicContact NE-OD2 3.88Å; R542-D560 PolarHBondContact NE-OD2 3.02Å; R542-D560 IonicContact NH2-OD2 2.75Å |
| 543 | P | 82.6 | Confident | 88.4 | Confident | 56 Ų | 56 | 45.1 Ų | 45.1 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | trans | -64 | 121.3 | 173.2 | -19.7 | 32.5 | 0 | 0 | 0 | 110.7 | N524 | N524-P543 WeakPolarHBondContact OD1-CA 3.22Š| ||
| 544 | L | 87.7 | Confident | 88.9 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | trans | -116.4 | 146 | 175.1 | -59.1 | -176.7 | 0 | 0 | 0 | 110.8 | T520 L540 R542 L558 S559 D560 I566 Y568 | T520-L544 PolarHBondContact OG1-O 2.89Å; L540-L544 HydrophobicContact CD1-CB 4.02Å; L540-L544 HydrophobicContact CD1-CD1 4.06Å; L540-L544 HydrophobicContact CD1-CG 4.1Å; L540-L544 HydrophobicContact CD2-CD1 3.93Å; L540-L544 HydrophobicContact CG-CD1 4.42Å; R542-L544 HydrophobicContact CG-CD2 3.98Å; R542-L544 PolarHBondContact O-N 3.41Å; L544-L558 HydrophobicContact CB-CB 3.99Å; L544-L558 HydrophobicContact CB-CD2 3.73Å; L544-L558 HydrophobicContact CD1-CB 4.34Å; L544-L558 HydrophobicContact CD1-CD2 4.33Å; L544-S559 WeakPolarHBondContact CA-O 3.37Å; L544-D560 HydrophobicContact CD2-CB 3.7Å; L544-I566 HydrophobicContact CD1-CD1 3.94Å; L544-I566 HydrophobicContact CD2-CD1 3.66Å; L544-I566 HydrophobicContact CG-CD1 4.48Å; L544-Y568 HydrophobicContact CD1-CE2 4.31Å | ||
| 545 | Y | 89.8 | Confident | 89.2 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.4 | -177.3 | -61.6 | -93.9 | 0 | 0 | 0 | 109.3 | D299 P300 T509 L547 L558 S559 K561 | D299-Y545 HydrophobicContact CB-CE1 3.99Å; D299-Y545 WeakPolarHBondContact OD1-CE1 3.3Å; D299-Y545 PolarHBondContact OD1-OH 3.41Å; P300-Y545 VanDerWaalsContact CD-CD2 3.43Å; P300-Y545 HydrophobicContact CG-CD1 4.47Å; P300-Y545 HydrophobicContact CG-CD2 3.58Å; P300-Y545 HydrophobicContact CG-CE2 4Å; P300-Y545 HydrophobicContact CG-CG 3.85Å; T509-Y545 HydrophobicContact CG2-CD1 3.53Å; T509-Y545 HydrophobicContact CG2-CE1 4.46Å; T509-Y545 HydrophobicContact CG2-CG 4.21Å; Y545-L547 PolarHBondContact O-N 2.95Å; Y545-L558 CarbonylContact O-C 3.53Å; Y545-L558 WeakPolarHBondContact O-CA 3.45Å; Y545-L558 WeakPolarHBondContact O-CB 3.37Å; Y545-S559 WeakPolarHBondContact CD2-O 3.44Å; Y545-S559 PolarHBondContact N-O 3.17Å; Y545-S559 PolarHBondContact O-N 2.99Å; Y545-K561 HydrophobicContact CE2-CG 3.89Å |
| 546 | I | 93.2 | Very high | 89.5 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 126.4 | -179.9 | -66.3 | 171.4 | 0 | 0 | 0 | 109.8 | T509 T511 V518 T520 L526 L556 L558 | T509-I546 PolarHBondContact OG1-N 3.21Å; T511-I546 HydrophobicContact CG2-CG2 3.62Å; V518-I546 HydrophobicContact CG1-CD1 4.28Å; T520-I546 HydrophobicContact CG2-CD1 4.05Å; T520-I546 HydrophobicContact CG2-CG1 3.93Å; L526-I546 HydrophobicContact CD1-CD1 4.23Å; I546-L556 HydrophobicContact CD1-CD2 4.48Å; I546-L556 HydrophobicContact CG1-CD2 4.41Å; I546-L556 HydrophobicContact CG2-CD1 3.95Å; I546-L558 HydrophobicContact CG1-CD2 3.75Å; I546-L558 HydrophobicContact CG1-CG 4.18Å |
| 547 | L | 92.5 | Very high | 89.7 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 13% | 0.131 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -40.6 | 175.1 | -59.8 | -174.8 | 0 | 0 | 0 | 112.1 | V302 M304 I310 Y545 Y557 I565 | V302-L547 HydrophobicContact CB-CD2 4.12Å; V302-L547 HydrophobicContact CG1-CD2 3.45Å; V302-L547 VanDerWaalsContact CG1-CD2 3.45Å; V302-L547 HydrophobicContact CG2-CD1 4.17Å; V302-L547 HydrophobicContact CG2-CD2 3.6Å; M304-L547 HydrophobicContact CB-CB 3.93Å; M304-L547 HydrophobicContact CE-CB 4.37Å; M304-L547 HydrophobicContact SD-CB 4.44Å; I310-L547 HydrophobicContact CD1-CD1 4.04Å; I310-L547 HydrophobicContact CG2-CD1 4.17Å; Y545-L547 PolarHBondContact O-N 2.95Å; L547-Y557 WeakPolarHBondContact CB-O 3.22Å; L547-Y557 PolarHBondContact N-O 3.44Å; L547-I565 HydrophobicContact CD1-CD1 3.89Å; L547-I565 HydrophobicContact CD1-CG2 4.41Å |
| 548 | G | 91.6 | Very high | 89.9 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158 | 180 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M304 Y557 | M304-G548 VanDerWaalsContact CE-C 3.45Å; M304-G548 VanDerWaalsContact CE-CA 3.49Å; G548-Y557 PolarHBondContact N-O 3.26Å; G548-Y557 PolarHBondContact O-N 3.12Å |
| 549 | Y | 93.3 | Very high | 89.8 | Confident | 27 Ų | 27 | 39 Ų | 39 | 11% | 0.106 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136 | -176.3 | 175.1 | -101 | 0 | 0 | 0 | 109.8 | V513 P551 N554 R555 L556 L570 L572 | V513-Y549 HydrophobicContact CB-CD1 4.37Å; V513-Y549 HydrophobicContact CG1-CD1 3.52Å; V513-Y549 HydrophobicContact CG1-CD2 4.44Å; V513-Y549 HydrophobicContact CG1-CE1 3.53Å; V513-Y549 HydrophobicContact CG1-CE2 4.46Å; V513-Y549 HydrophobicContact CG1-CG 3.99Å; V513-Y549 HydrophobicContact CG2-CD1 3.95Å; V513-Y549 HydrophobicContact CG2-CD2 4.19Å; V513-Y549 HydrophobicContact CG2-CG 3.66Å; Y549-P551 HydrophobicContact CD1-CG 3.96Å; Y549-P551 HydrophobicContact CE1-CB 4.08Å; Y549-P551 HydrophobicContact CE1-CG 3.85Å; Y549-P551 WeakPolarHBondContact O-CD 2.88Å; Y549-N554 WeakPolarHBondContact OH-CA 3.32Å; Y549-N554 PolarHBondContact OH-OD1 3.41Å; Y549-R555 VanDerWaalsContact CD2-O 3.23Å; Y549-R555 WeakPolarHBondContact CD2-O 3.17Å; Y549-L556 HydrophobicContact CD2-CB 4.41Å; Y549-L570 HydrophobicContact CE2-CB 4.23Å; Y549-L570 WeakPolarHBondContact CE2-O 3.36Å; Y549-L570 PolarHBondContact OH-O 2.87Å; Y549-L572 HydrophobicContact CE1-CD1 4.25Å; Y549-L572 WeakPolarHBondContact OH-CB 3.31Å; Y549-L572 PolarHBondContact OH-N 2.96Å |
| 550 | L | 92 | Very high | 89.6 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 105.3 | 174.4 | -69.1 | -180 | 0 | 0 | 0 | 110 | S306 V323 S552 E553 N554 R555 Y557 | S306-L550 WeakPolarHBondContact O-CD2 3.43Å; V323-L550 HydrophobicContact CG1-CD1 4.27Å; L550-S552 PolarHBondContact O-N 3.32Å; L550-E553 HydrophobicContact CB-CB 4.4Å; L550-E553 PolarHBondContact O-N 2.93Å; L550-E553 VanDerWaalsContact O-N 3.11Å; L550-N554 PolarHBondContact O-N 3.39Å; L550-N554 VanDerWaalsContact O-N 3.1Å; L550-R555 PolarHBondContact N-O 3.04Å; L550-Y557 HydrophobicContact CB-CE2 4.1Å; L550-Y557 HydrophobicContact CD1-CD2 4.15Å; L550-Y557 HydrophobicContact CD1-CE2 3.6Å; L550-Y557 HydrophobicContact CG-CD2 4.18Å; L550-Y557 HydrophobicContact CG-CE2 3.92Å |
| 551 | P | 89.7 | Confident | 89 | Confident | 74 Ų | 74 | 36.4 Ų | 36.4 | 48% | 0.481 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -33.8 | 179.7 | -27.2 | 35 | 0 | 0 | 0 | 114.1 | Y549 E553 N554 L572 | Y549-P551 HydrophobicContact CD1-CG 3.96Å; Y549-P551 HydrophobicContact CE1-CB 4.08Å; Y549-P551 HydrophobicContact CE1-CG 3.85Å; Y549-P551 WeakPolarHBondContact O-CD 2.88Å; P551-E553 PolarHBondContact O-N 3.19Å; P551-N554 PolarHBondContact O-N 2.93Å; P551-L572 HydrophobicContact CB-CD2 4.21Å |
| 552 | S | 87.9 | Confident | 88.8 | Confident | 89 Ų | 89 | 37.7 Ų | 37.7 | 62% | 0.622 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -26.6 | 179.9 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | L550 | L550-S552 PolarHBondContact O-N 3.32Š|
| 553 | E | 87.4 | Confident | 89 | Confident | 62 Ų | 62 | 34.9 Ų | 34.9 | 29% | 0.29 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -5.8 | -175.4 | -66.3 | 172.4 | -166.8 | 0 | 0 | 112.4 | L550 P551 R555 Y557 | L550-E553 HydrophobicContact CB-CB 4.4Å; L550-E553 PolarHBondContact O-N 2.93Å; L550-E553 VanDerWaalsContact O-N 3.11Å; P551-E553 PolarHBondContact O-N 3.19Å; E553-R555 HydrophobicContact CB-CB 4.37Å; E553-R555 PolarHBondContact O-N 3.42Å; E553-Y557 PolarHBondContact OE2-OH 2.96Å |
| 554 | N | 90.2 | Very high | 89.2 | Confident | 40 Ų | 40 | 32.8 Ų | 32.8 | 21% | 0.214 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 41.6 | -172.2 | -67.2 | -65.9 | 0 | 0 | 0 | 112.7 | Y549 L550 P551 Q569 L570 M571 L572 | Y549-N554 WeakPolarHBondContact OH-CA 3.32Å; Y549-N554 PolarHBondContact OH-OD1 3.41Å; L550-N554 PolarHBondContact O-N 3.39Å; L550-N554 VanDerWaalsContact O-N 3.1Å; P551-N554 PolarHBondContact O-N 2.93Å; N554-Q569 WeakPolarHBondContact O-CA 3.14Å; N554-L570 CarbonylContact C-O 3.49Å; N554-L570 CarbonylContact O-C 3.58Å; N554-L570 PolarHBondContact O-N 2.88Å; N554-M571 HydrophobicContact CB-SD 3.63Å; N554-L572 WeakPolarHBondContact OD1-CB 3.49Å; N554-L572 PolarHBondContact OD1-N 3.01Å |
| 555 | R | 91.9 | Very high | 89.4 | Confident | 35 Ų | 35 | 32.8 Ų | 32.8 | 13% | 0.132 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138.6 | -175.6 | -78.6 | -179.6 | -177.5 | -102.3 | -4.2 | 112.7 | I332 Y549 L550 E553 Y557 S567 Y568 | I332-R555 VanDerWaalsContact O-CZ 3.27Å; I332-R555 PolarHBondContact O-NH1 2.84Å; I332-R555 PolarHBondContact O-NH2 3.04Å; Y549-R555 VanDerWaalsContact CD2-O 3.23Å; Y549-R555 WeakPolarHBondContact CD2-O 3.17Å; L550-R555 PolarHBondContact N-O 3.04Å; E553-R555 HydrophobicContact CB-CB 4.37Å; E553-R555 PolarHBondContact O-N 3.42Å; R555-Y557 HydrophobicContact CB-CE2 3.8Å; R555-S567 PolarHBondContact NH1-OG 3.42Å; R555-Y568 WeakPolarHBondContact CA-O 3.27Å |
| 556 | L | 94.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.7 | 168.1 | -173.4 | 76.7 | 0 | 0 | 0 | 109 | T511 V518 L526 I546 Y549 L558 S567 Y568 | T511-L556 HydrophobicContact CG2-CD1 4.18Å; V518-L556 HydrophobicContact CG1-CD1 4.26Å; V518-L556 HydrophobicContact CG1-CD2 3.64Å; L526-L556 HydrophobicContact CD1-CD2 3.61Å; L526-L556 HydrophobicContact CD2-CD2 3.91Å; L526-L556 HydrophobicContact CG-CD2 4.34Å; I546-L556 HydrophobicContact CD1-CD2 4.48Å; I546-L556 HydrophobicContact CG1-CD2 4.41Å; I546-L556 HydrophobicContact CG2-CD1 3.95Å; Y549-L556 HydrophobicContact CD2-CB 4.41Å; L556-L558 HydrophobicContact CD2-CD1 4.06Å; L556-L558 HydrophobicContact CD2-CG 4.46Å; L556-L558 HydrophobicContact CG-CD1 4.22Å; L556-S567 CarbonylContact O-C 3.51Å; L556-S567 VanDerWaalsContact O-CA 3.25Å; L556-S567 WeakPolarHBondContact O-CA 3.48Å; L556-Y568 PolarHBondContact N-O 3.33Å; L556-Y568 PolarHBondContact O-N 2.85Å |
| 557 | Y | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.4 | 177.8 | -68.3 | -85.4 | 0 | 0 | 0 | 110.4 | M304 V323 L338 L547 G548 L550 E553 R555 I565 I566 | M304-Y557 HydrophobicContact CE-CD2 4.26Å; M304-Y557 HydrophobicContact SD-CD2 4.33Å; M304-Y557 HydrophobicContact SD-CG 4.28Å; V323-Y557 HydrophobicContact CB-CE1 4.39Å; V323-Y557 HydrophobicContact CG1-CD1 4.28Å; V323-Y557 HydrophobicContact CG1-CE1 3.43Å; V323-Y557 VanDerWaalsContact CG1-CE1 3.43Å; V323-Y557 HydrophobicContact CG1-CE2 4.07Å; V323-Y557 WeakPolarHBondContact CG1-OH 3.42Å; V323-Y557 HydrophobicContact CG2-CD1 4.07Å; V323-Y557 HydrophobicContact CG2-CE1 4.02Å; L338-Y557 HydrophobicContact CD1-CD1 3.69Å; L338-Y557 HydrophobicContact CD1-CE1 3.47Å; L338-Y557 VanDerWaalsContact CD1-CE1 3.47Å; L547-Y557 WeakPolarHBondContact CB-O 3.22Å; L547-Y557 PolarHBondContact N-O 3.44Å; G548-Y557 PolarHBondContact N-O 3.26Å; G548-Y557 PolarHBondContact O-N 3.12Å; L550-Y557 HydrophobicContact CB-CE2 4.1Å; L550-Y557 HydrophobicContact CD1-CD2 4.15Å; L550-Y557 HydrophobicContact CD1-CE2 3.6Å; L550-Y557 HydrophobicContact CG-CD2 4.18Å; L550-Y557 HydrophobicContact CG-CE2 3.92Å; E553-Y557 PolarHBondContact OE2-OH 2.96Å; R555-Y557 HydrophobicContact CB-CE2 3.8Å; Y557-I565 HydrophobicContact CD1-CG2 4.16Å; Y557-I566 WeakPolarHBondContact CA-O 3.42Å |
| 558 | L | 94 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 155.6 | 177.3 | -52.4 | 93.2 | 0 | 0 | 0 | 110.3 | T520 L526 L544 Y545 I546 L556 I565 I566 Y568 | T520-L558 HydrophobicContact CG2-CD2 3.79Å; L526-L558 HydrophobicContact CD1-CD2 4.36Å; L544-L558 HydrophobicContact CB-CB 3.99Å; L544-L558 HydrophobicContact CB-CD2 3.73Å; L544-L558 HydrophobicContact CD1-CB 4.34Å; L544-L558 HydrophobicContact CD1-CD2 4.33Å; Y545-L558 CarbonylContact O-C 3.53Å; Y545-L558 WeakPolarHBondContact O-CA 3.45Å; Y545-L558 WeakPolarHBondContact O-CB 3.37Å; I546-L558 HydrophobicContact CG1-CD2 3.75Å; I546-L558 HydrophobicContact CG1-CG 4.18Å; L556-L558 HydrophobicContact CD2-CD1 4.06Å; L556-L558 HydrophobicContact CD2-CG 4.46Å; L556-L558 HydrophobicContact CG-CD1 4.22Å; L558-I565 CarbonylContact O-C 3.54Å; L558-I565 WeakPolarHBondContact O-CA 3.32Å; L558-I566 PolarHBondContact N-O 2.92Å; L558-I566 PolarHBondContact O-N 3.23Å; L558-Y568 HydrophobicContact CD1-CD2 3.62Å; L558-Y568 HydrophobicContact CD1-CE2 4.21Å |
| 559 | S | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 147.3 | 171.7 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | L544 Y545 N564 | L544-S559 WeakPolarHBondContact CA-O 3.37Å; Y545-S559 WeakPolarHBondContact CD2-O 3.44Å; Y545-S559 PolarHBondContact N-O 3.17Å; Y545-S559 PolarHBondContact O-N 2.99Å; S559-N564 WeakPolarHBondContact CA-O 3.19Å |
| 560 | D | 86.4 | Confident | 89.5 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | -91.5 | -177.8 | 159.7 | 62.9 | 23.2 | 0 | 0 | 0 | 111.1 | R542 L544 E562 L563 N564 | R542-D560 IonicContact CZ-OD2 2.82Å; R542-D560 IonicContact NE-OD2 3.88Å; R542-D560 PolarHBondContact NE-OD2 3.02Å; R542-D560 IonicContact NH2-OD2 2.75Å; L544-D560 HydrophobicContact CD2-CB 3.7Å; D560-E562 PolarHBondContact O-N 3.06Å; D560-E562 WeakPolarHBondContact OD1-CA 3.49Å; D560-E562 WeakPolarHBondContact OD1-CB 3.41Å; D560-E562 PolarHBondContact OD1-N 2.91Å; D560-L563 PolarHBondContact O-N 3.03Å; D560-L563 VanDerWaalsContact O-N 3.14Å; D560-L563 PolarHBondContact OD1-N 3.41Å; D560-L563 VanDerWaalsContact OD1-N 3.12Å; D560-N564 PolarHBondContact N-O 3.33Å; D560-N564 VanDerWaalsContact N-O 3.15Å; D560-N564 WeakPolarHBondContact OD1-CB 3.41Å; D560-N564 PolarHBondContact OD1-N 3.3Å; D560-N564 PolarHBondContact OD1-ND2 3.14Å; D560-N564 WeakPolarHBondContact OD2-CB 3.38Å; D560-N564 PolarHBondContact OD2-ND2 3.43Å | ||
| 561 | K | 77.1 | Confident | 89.4 | Confident | 89 Ų | 89 | 35.2 Ų | 35.2 | 39% | 0.387 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24.7 | 178.2 | -61.1 | 176 | 177.8 | 168.1 | 0 | 113.2 | E298 Y545 L563 | E298-K561 HydrophobicContact CG-CD 4.19Å; E298-K561 WeakPolarHBondContact OE2-CE 3.36Å; E298-K561 IonicContact OE2-NZ 2.63Å; E298-K561 PolarHBondContact OE2-NZ 3.18Å; Y545-K561 HydrophobicContact CE2-CG 3.89Å; K561-L563 PolarHBondContact O-N 3.09Å |
| 562 | E | 76.8 | Confident | 89.4 | Confident | 147 Ų | 147 | 33.8 Ų | 33.8 | 69% | 0.687 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 5.8 | 177.2 | -63.4 | 179.2 | 179.2 | 0 | 0 | 112.2 | D560 N564 | D560-E562 PolarHBondContact O-N 3.06Å; D560-E562 WeakPolarHBondContact OD1-CA 3.49Å; D560-E562 WeakPolarHBondContact OD1-CB 3.41Å; D560-E562 PolarHBondContact OD1-N 2.91Å; E562-N564 PolarHBondContact O-N 3.49Å; E562-N564 PolarHBondContact OE2-ND2 3.25Å; E562-N564 VanDerWaalsContact OE2-ND2 3.15Å |
| 563 | L | 84 | Confident | 89.6 | Confident | 24 Ų | 24 | 30.4 Ų | 30.4 | 13% | 0.126 | 15% | 0.146 | C | C | . | . | trans | 66 | 23.7 | -179.5 | -52 | 164.8 | 0 | 0 | 0 | 112.7 | P300 V302 W312 R314 D560 K561 I565 | P300-L563 HydrophobicContact CB-CD2 3.76Å; V302-L563 HydrophobicContact CB-CD2 4.31Å; W312-L563 HydrophobicContact CB-CD1 4.41Å; W312-L563 HydrophobicContact CB-CD2 3.82Å; W312-L563 VanDerWaalsContact CD1-CD1 3.49Å; W312-L563 HydrophobicContact CD2-CB 4.43Å; W312-L563 HydrophobicContact CG-CB 4.48Å; W312-L563 HydrophobicContact CG-CD1 3.94Å; W312-L563 HydrophobicContact CG-CD2 4.02Å; W312-L563 HydrophobicContact CG-CG 4.37Å; R314-L563 HydrophobicContact CB-CD1 4.05Å; R314-L563 HydrophobicContact CG-CD1 4.33Å; D560-L563 PolarHBondContact O-N 3.03Å; D560-L563 VanDerWaalsContact O-N 3.14Å; D560-L563 PolarHBondContact OD1-N 3.41Å; D560-L563 VanDerWaalsContact OD1-N 3.12Å; K561-L563 PolarHBondContact O-N 3.09Å; L563-I565 PolarHBondContact O-N 2.81Å | ||
| 564 | N | 87.6 | Confident | 89.8 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 7% | 0.07 | 13% | 0.134 | C | C | . | . | trans | -76 | 124.4 | 169.4 | -54.8 | -56.4 | 0 | 0 | 0 | 109 | R337 S559 D560 E562 | R337-N564 HydrophobicContact CG-CB 4.23Å; R337-N564 PolarHBondContact NE-OD1 3.45Å; R337-N564 PolarHBondContact NH1-OD1 2.67Å; R337-N564 VanDerWaalsContact NH1-OD1 3.1Å; R337-N564 PolarHBondContact NH2-OD1 3.05Å; S559-N564 WeakPolarHBondContact CA-O 3.19Å; D560-N564 PolarHBondContact N-O 3.33Å; D560-N564 VanDerWaalsContact N-O 3.15Å; D560-N564 WeakPolarHBondContact OD1-CB 3.41Å; D560-N564 PolarHBondContact OD1-N 3.3Å; D560-N564 PolarHBondContact OD1-ND2 3.14Å; D560-N564 WeakPolarHBondContact OD2-CB 3.38Å; D560-N564 PolarHBondContact OD2-ND2 3.43Å; E562-N564 PolarHBondContact O-N 3.49Å; E562-N564 PolarHBondContact OE2-ND2 3.25Å; E562-N564 VanDerWaalsContact OE2-ND2 3.15Å | ||
| 565 | I | 92.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.1 | 178.6 | -46.2 | -54.4 | 0 | 0 | 0 | 109.4 | I310 W312 L338 L340 L547 Y557 L558 L563 | I310-I565 HydrophobicContact CD1-CB 4.46Å; I310-I565 HydrophobicContact CD1-CD1 4.08Å; I310-I565 HydrophobicContact CD1-CG1 3.9Å; I310-I565 HydrophobicContact CD1-CG2 3.79Å; I310-I565 HydrophobicContact CG2-CD1 4.43Å; W312-I565 HydrophobicContact CE3-CD1 4.36Å; W312-I565 HydrophobicContact CZ3-CD1 4.01Å; W312-I565 HydrophobicContact CZ3-CG1 4.1Å; L338-I565 HydrophobicContact CD1-CB 4.27Å; L338-I565 HydrophobicContact CD1-CG2 3.75Å; L338-I565 PolarHBondContact N-O 2.91Å; L340-I565 HydrophobicContact CD1-CB 3.75Å; L340-I565 HydrophobicContact CD1-CG1 3.61Å; L340-I565 HydrophobicContact CD1-CG2 4.15Å; L547-I565 HydrophobicContact CD1-CD1 3.89Å; L547-I565 HydrophobicContact CD1-CG2 4.41Å; Y557-I565 HydrophobicContact CD1-CG2 4.16Å; L558-I565 CarbonylContact O-C 3.54Å; L558-I565 WeakPolarHBondContact O-CA 3.32Å; L563-I565 PolarHBondContact O-N 2.81Å |
| 566 | I | 92.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 149.9 | -178.7 | -59.7 | 165.8 | 0 | 0 | 0 | 108 | L544 Y557 L558 Y568 | L544-I566 HydrophobicContact CD1-CD1 3.94Å; L544-I566 HydrophobicContact CD2-CD1 3.66Å; L544-I566 HydrophobicContact CG-CD1 4.48Å; Y557-I566 WeakPolarHBondContact CA-O 3.42Å; L558-I566 PolarHBondContact N-O 2.92Å; L558-I566 PolarHBondContact O-N 3.23Å; I566-Y568 HydrophobicContact CG2-CD2 4.47Å; I566-Y568 HydrophobicContact CG2-CE2 3.98Å |
| 567 | S | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 149.5 | 176 | 76.1 | 0 | 0 | 0 | 0 | 113.3 | I332 G335 R555 L556 | I332-S567 VanDerWaalsContact CG2-OG 3.28Å; I332-S567 WeakPolarHBondContact CG2-OG 3.28Å; G335-S567 PolarHBondContact N-O 3.11Å; R555-S567 PolarHBondContact NH1-OG 3.42Å; L556-S567 CarbonylContact O-C 3.51Å; L556-S567 VanDerWaalsContact O-CA 3.25Å; L556-S567 WeakPolarHBondContact O-CA 3.48Å |
| 568 | Y | 93.5 | Very high | 89.3 | Confident | 24 Ų | 24 | 27.5 Ų | 27.5 | 9% | 0.094 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132 | 169.7 | -74.9 | -89.8 | 0 | 0 | 0 | 109.7 | N334 L526 A538 L540 L544 R555 L556 L558 I566 L570 | N334-Y568 HydrophobicContact CB-CD1 3.91Å; N334-Y568 HydrophobicContact CB-CE1 4.22Å; L526-Y568 HydrophobicContact CD2-CD1 4.43Å; L526-Y568 HydrophobicContact CD2-CD2 3.88Å; L526-Y568 HydrophobicContact CD2-CE2 4.49Å; L526-Y568 HydrophobicContact CD2-CG 3.83Å; A538-Y568 HydrophobicContact CB-CD1 3.88Å; A538-Y568 HydrophobicContact CB-CE1 3.39Å; L540-Y568 HydrophobicContact CD2-CE2 3.81Å; L540-Y568 VanDerWaalsContact CD2-OH 3.3Å; L540-Y568 WeakPolarHBondContact CD2-OH 3.45Å; L544-Y568 HydrophobicContact CD1-CE2 4.31Å; R555-Y568 WeakPolarHBondContact CA-O 3.27Å; L556-Y568 PolarHBondContact N-O 3.33Å; L556-Y568 PolarHBondContact O-N 2.85Å; L558-Y568 HydrophobicContact CD1-CD2 3.62Å; L558-Y568 HydrophobicContact CD1-CE2 4.21Å; I566-Y568 HydrophobicContact CG2-CD2 4.47Å; I566-Y568 HydrophobicContact CG2-CE2 3.98Å; Y568-L570 PolarHBondContact O-N 2.91Å |
| 569 | Q | 91.2 | Very high | 89 | Confident | 94 Ų | 94 | 28 Ų | 28 | 44% | 0.439 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 128.1 | 173.2 | -169.4 | 177.4 | 13.7 | 0 | 0 | 110.4 | N334 N554 | N334-Q569 WeakPolarHBondContact OD1-CB 3.19Å; N334-Q569 PolarHBondContact OD1-N 2.79Å; N554-Q569 WeakPolarHBondContact O-CA 3.14Å |
| 570 | L | 90.7 | Very high | 88.9 | Confident | 9 Ų | 9 | 28.1 Ų | 28.1 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | trans | -141.3 | 104.2 | 176.7 | -173.3 | 65 | 0 | 0 | 0 | 108.1 | V518 Y528 V537 Y549 N554 Y568 L572 L575 | V518-L570 HydrophobicContact CG1-CD2 4.37Å; V518-L570 HydrophobicContact CG2-CD2 3.8Å; Y528-L570 HydrophobicContact CD1-CD1 3.91Å; Y528-L570 HydrophobicContact CE1-CD1 3.95Å; V537-L570 HydrophobicContact CG2-CD1 4.19Å; Y549-L570 HydrophobicContact CE2-CB 4.23Å; Y549-L570 WeakPolarHBondContact CE2-O 3.36Å; Y549-L570 PolarHBondContact OH-O 2.87Å; N554-L570 CarbonylContact C-O 3.49Å; N554-L570 CarbonylContact O-C 3.58Å; N554-L570 PolarHBondContact O-N 2.88Å; Y568-L570 PolarHBondContact O-N 2.91Å; L570-L572 PolarHBondContact O-N 2.76Å; L570-L575 HydrophobicContact CD1-CD2 4.26Å; L570-L575 HydrophobicContact CD2-CD1 3.85Å; L570-L575 HydrophobicContact CG-CD1 3.88Å; L570-L575 HydrophobicContact CG-CD2 4.47Å; L570-L575 HydrophobicContact CG-CG 4.34Å | ||
| 571 | M | 90.1 | Very high | 89 | Confident | 29 Ų | 29 | 28 Ų | 28 | 14% | 0.143 | 14% | 0.138 | C | C | . | . | trans | -72.2 | 120.2 | -172.9 | -74.2 | -64.5 | -78.2 | 0 | 0 | 112.1 | N554 A573 V574 L575 P597 | N554-M571 HydrophobicContact CB-SD 3.63Å; M571-A573 VanDerWaalsContact C-N 3.25Å; M571-A573 PolarHBondContact O-N 3.01Å; M571-V574 HydrophobicContact CB-CB 4.25Å; M571-V574 HydrophobicContact CB-CG2 3.85Å; M571-V574 PolarHBondContact O-N 3.48Å; M571-V574 VanDerWaalsContact O-N 3.12Å; M571-L575 PolarHBondContact O-N 2.84Å; M571-P597 HydrophobicContact CE-CG 3.62Å | ||
| 572 | L | 91 | Very high | 89.4 | Confident | 44 Ų | 44 | 25.7 Ų | 25.7 | 23% | 0.23 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.2 | -38 | 177.8 | -169.7 | 57.5 | 0 | 0 | 0 | 112.3 | V513 Y549 P551 N554 L570 V574 L575 N576 | V513-L572 HydrophobicContact CG1-CD1 3.88Å; Y549-L572 HydrophobicContact CE1-CD1 4.25Å; Y549-L572 WeakPolarHBondContact OH-CB 3.31Å; Y549-L572 PolarHBondContact OH-N 2.96Å; P551-L572 HydrophobicContact CB-CD2 4.21Å; N554-L572 WeakPolarHBondContact OD1-CB 3.49Å; N554-L572 PolarHBondContact OD1-N 3.01Å; L570-L572 PolarHBondContact O-N 2.76Å; L572-V574 VanDerWaalsContact C-N 3.28Å; L572-V574 PolarHBondContact O-N 2.88Å; L572-L575 PolarHBondContact O-N 2.83Å; L572-N576 WeakPolarHBondContact O-CB 3.41Å; L572-N576 PolarHBondContact O-N 3.03Å |
| 573 | A | 90.9 | Very high | 89.7 | Confident | 17 Ų | 17 | 25.6 Ų | 25.6 | 14% | 0.14 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M571 Y577 I592 I596 | M571-A573 VanDerWaalsContact C-N 3.25Å; M571-A573 PolarHBondContact O-N 3.01Å; A573-Y577 VanDerWaalsContact O-CB 3.23Å; A573-Y577 WeakPolarHBondContact O-CB 3.33Å; A573-Y577 PolarHBondContact O-N 2.76Å; A573-I592 HydrophobicContact CB-CG2 4.43Å; A573-I592 WeakPolarHBondContact O-CG2 3.41Å; A573-I596 HydrophobicContact CB-CG1 4Å |
| 574 | V | 91.4 | Very high | 89.7 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.9 | -44.7 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | M571 L572 Y577 Q578 I596 N600 V604 | M571-V574 HydrophobicContact CB-CB 4.25Å; M571-V574 HydrophobicContact CB-CG2 3.85Å; M571-V574 PolarHBondContact O-N 3.48Å; M571-V574 VanDerWaalsContact O-N 3.12Å; L572-V574 VanDerWaalsContact C-N 3.28Å; L572-V574 PolarHBondContact O-N 2.88Å; V574-Y577 PolarHBondContact O-N 2.9Å; V574-Q578 VanDerWaalsContact O-CG 3.32Å; V574-Q578 WeakPolarHBondContact O-CG 3.45Å; V574-Q578 PolarHBondContact O-N 2.91Å; V574-I596 HydrophobicContact CG2-CG2 3.84Å; V574-N600 HydrophobicContact CG2-CB 3.87Å; V574-V604 HydrophobicContact CG1-CG2 4.12Å; V574-V604 HydrophobicContact CG2-CG2 4.44Å |
| 575 | L | 90.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.2 | -49.4 | 177.6 | -66.9 | -177.9 | 0 | 0 | 0 | 111.7 | V513 C516 Y528 L570 M571 L572 Y577 Q578 T579 | V513-L575 HydrophobicContact CB-CD1 4.07Å; V513-L575 HydrophobicContact CG1-CD1 3.6Å; C516-L575 HydrophobicContact CB-CD1 4.35Å; C516-L575 HydrophobicContact CB-CD2 4.14Å; Y528-L575 HydrophobicContact CD1-CD2 4.24Å; Y528-L575 HydrophobicContact CD2-CD2 4.15Å; Y528-L575 HydrophobicContact CE1-CD2 4.12Å; Y528-L575 HydrophobicContact CE2-CD2 4.04Å; Y528-L575 HydrophobicContact CG-CD2 4.26Å; L570-L575 HydrophobicContact CD1-CD2 4.26Å; L570-L575 HydrophobicContact CD2-CD1 3.85Å; L570-L575 HydrophobicContact CG-CD1 3.88Å; L570-L575 HydrophobicContact CG-CD2 4.47Å; L570-L575 HydrophobicContact CG-CG 4.34Å; M571-L575 PolarHBondContact O-N 2.84Å; L572-L575 PolarHBondContact O-N 2.83Å; L575-Y577 VanDerWaalsContact C-N 3.3Å; L575-Y577 PolarHBondContact O-N 2.83Å; L575-Q578 PolarHBondContact O-N 3.39Å; L575-T579 PolarHBondContact O-N 3.32Å; L575-T579 PolarHBondContact O-OG1 2.81Å; L575-T579 VanDerWaalsContact O-OG1 3.05Å |
| 576 | N | 89.9 | Confident | 89.5 | Confident | 62 Ų | 62 | 36.5 Ų | 36.5 | 33% | 0.332 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 178.1 | -71.9 | -10.8 | 0 | 0 | 0 | 112.1 | L572 T579 A580 I592 | L572-N576 WeakPolarHBondContact O-CB 3.41Å; L572-N576 PolarHBondContact O-N 3.03Å; N576-T579 PolarHBondContact O-N 2.93Å; N576-A580 WeakPolarHBondContact O-CB 3.28Å; N576-A580 PolarHBondContact O-N 2.82Å; N576-I592 HydrophobicContact CB-CD1 4.1Å |
| 577 | Y | 91.7 | Very high | 89.4 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 173.8 | -178.6 | -86.7 | 0 | 0 | 0 | 111.4 | A573 V574 L575 T579 A580 V581 A589 L593 I596 V604 L608 | A573-Y577 VanDerWaalsContact O-CB 3.23Å; A573-Y577 WeakPolarHBondContact O-CB 3.33Å; A573-Y577 PolarHBondContact O-N 2.76Å; V574-Y577 PolarHBondContact O-N 2.9Å; L575-Y577 VanDerWaalsContact C-N 3.3Å; L575-Y577 PolarHBondContact O-N 2.83Å; Y577-T579 VanDerWaalsContact C-N 3.35Å; Y577-T579 PolarHBondContact O-N 3.2Å; Y577-A580 PolarHBondContact O-N 2.9Å; Y577-V581 HydrophobicContact CD1-CG2 4.06Å; Y577-V581 HydrophobicContact CE1-CG2 3.6Å; Y577-V581 WeakPolarHBondContact O-CG2 3.39Å; Y577-V581 PolarHBondContact O-N 2.8Å; Y577-A589 HydrophobicContact CD2-CB 3.98Å; Y577-A589 VanDerWaalsContact CD2-O 3.27Å; Y577-A589 WeakPolarHBondContact CD2-O 3.34Å; Y577-A589 HydrophobicContact CE2-CB 3.7Å; Y577-A589 VanDerWaalsContact CE2-O 3.24Å; Y577-A589 WeakPolarHBondContact CE2-O 3.48Å; Y577-L593 HydrophobicContact CD2-CB 4.33Å; Y577-L593 HydrophobicContact CD2-CD1 4.42Å; Y577-L593 HydrophobicContact CE2-CB 3.94Å; Y577-L593 HydrophobicContact CE2-CD1 3.89Å; Y577-L593 HydrophobicContact CE2-CG 4.42Å; Y577-I596 HydrophobicContact CD2-CD1 4.1Å; Y577-I596 HydrophobicContact CG-CD1 3.89Å; Y577-V604 HydrophobicContact CD1-CG1 3.58Å; Y577-V604 HydrophobicContact CE1-CG1 3.23Å; Y577-V604 HydrophobicContact CG-CG1 4.48Å; Y577-L608 HydrophobicContact CE1-CD1 4.35Å; Y577-L608 HydrophobicContact CE1-CD2 4.1Å; Y577-L608 HydrophobicContact CE1-CG 4.25Å; Y577-L608 WeakPolarHBondContact OH-CD1 3.33Å |
| 578 | Q | 90.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 177.8 | -71.4 | -176.9 | -26.7 | 0 | 0 | 111 | Y528 V530 V574 L575 A580 V581 M582 F607 | Y528-Q578 VanDerWaalsContact CZ-OE1 3.32Å; Y528-Q578 PolarHBondContact OH-NE2 2.92Å; Y528-Q578 PolarHBondContact OH-OE1 3.08Å; V530-Q578 HydrophobicContact CG1-CB 4.17Å; V574-Q578 VanDerWaalsContact O-CG 3.32Å; V574-Q578 WeakPolarHBondContact O-CG 3.45Å; V574-Q578 PolarHBondContact O-N 2.91Å; L575-Q578 PolarHBondContact O-N 3.39Å; Q578-A580 PolarHBondContact O-N 3.12Å; Q578-V581 PolarHBondContact O-N 2.87Å; Q578-M582 VanDerWaalsContact O-CG 3.31Å; Q578-M582 WeakPolarHBondContact O-CG 3.36Å; Q578-M582 PolarHBondContact O-N 2.9Å; Q578-F607 HydrophobicContact CB-CD1 4.44Å; Q578-F607 HydrophobicContact CB-CE1 3.91Å; Q578-F607 HydrophobicContact CB-CE2 4.31Å; Q578-F607 HydrophobicContact CB-CZ 3.82Å; Q578-F607 HydrophobicContact CG-CD1 3.74Å; Q578-F607 HydrophobicContact CG-CD2 4.21Å; Q578-F607 HydrophobicContact CG-CE1 3.72Å; Q578-F607 HydrophobicContact CG-CE2 4.19Å; Q578-F607 HydrophobicContact CG-CG 3.98Å; Q578-F607 HydrophobicContact CG-CZ 3.94Å |
| 579 | T | 87.1 | Confident | 89.1 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.2 | -45.8 | 175.1 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | D515 C516 L575 N576 Y577 V581 M582 R583 | D515-T579 HydrophobicContact CB-CG2 3.55Å; D515-T579 VanDerWaalsContact OD2-CG2 3.23Å; D515-T579 WeakPolarHBondContact OD2-CG2 3.41Å; C516-T579 PolarHBondContact SG-OG1 3.28Å; L575-T579 PolarHBondContact O-N 3.32Å; L575-T579 PolarHBondContact O-OG1 2.81Å; L575-T579 VanDerWaalsContact O-OG1 3.05Å; N576-T579 PolarHBondContact O-N 2.93Å; Y577-T579 VanDerWaalsContact C-N 3.35Å; Y577-T579 PolarHBondContact O-N 3.2Å; T579-V581 VanDerWaalsContact C-N 3.35Å; T579-V581 PolarHBondContact O-N 2.77Å; T579-M582 PolarHBondContact O-N 2.96Å; T579-R583 WeakPolarHBondContact O-CG 3.35Å; T579-R583 PolarHBondContact O-N 3.45Å |
| 580 | A | 88.9 | Confident | 89.1 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N576 Y577 Q578 R583 H584 D585 M588 A589 | N576-A580 WeakPolarHBondContact O-CB 3.28Å; N576-A580 PolarHBondContact O-N 2.82Å; Y577-A580 PolarHBondContact O-N 2.9Å; Q578-A580 PolarHBondContact O-N 3.12Å; A580-R583 PolarHBondContact O-N 2.75Å; A580-H584 PolarHBondContact O-N 3.27Å; A580-D585 PolarHBondContact O-N 3.05Å; A580-M588 HydrophobicContact CB-CB 4.36Å; A580-M588 HydrophobicContact CB-CG 4.41Å; A580-A589 HydrophobicContact CB-CB 4.04Å |
| 581 | V | 89.9 | Confident | 89.2 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | Y577 Q578 T579 R583 H584 A589 F607 L608 Y613 | Y577-V581 HydrophobicContact CD1-CG2 4.06Å; Y577-V581 HydrophobicContact CE1-CG2 3.6Å; Y577-V581 WeakPolarHBondContact O-CG2 3.39Å; Y577-V581 PolarHBondContact O-N 2.8Å; Q578-V581 PolarHBondContact O-N 2.87Å; T579-V581 VanDerWaalsContact C-N 3.35Å; T579-V581 PolarHBondContact O-N 2.77Å; V581-R583 PolarHBondContact O-N 2.87Å; V581-H584 PolarHBondContact O-N 2.9Å; V581-A589 HydrophobicContact CG2-CB 3.92Å; V581-F607 HydrophobicContact CB-CE1 3.94Å; V581-F607 HydrophobicContact CG1-CE1 3.86Å; V581-F607 HydrophobicContact CG1-CZ 4.47Å; V581-F607 HydrophobicContact CG2-CE1 4.48Å; V581-L608 HydrophobicContact CG1-CD2 4.06Å; V581-L608 HydrophobicContact CG2-CD2 3.98Å; V581-Y613 HydrophobicContact CG1-CD2 3.86Å; V581-Y613 HydrophobicContact CG1-CE2 3.63Å |
| 582 | M | 83.6 | Confident | 89.2 | Confident | 41 Ų | 41 | 52.2 Ų | 52.2 | 20% | 0.202 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67 | -26.5 | 177.6 | -63.4 | -49.5 | -82.1 | 0 | 0 | 113 | V530 G531 Q578 T579 H584 F607 Q611 | V530-M582 HydrophobicContact CG1-CG 4.04Å; G531-M582 VanDerWaalsContact C-CE 3.44Å; G531-M582 WeakPolarHBondContact O-CE 3.48Å; Q578-M582 VanDerWaalsContact O-CG 3.31Å; Q578-M582 WeakPolarHBondContact O-CG 3.36Å; Q578-M582 PolarHBondContact O-N 2.9Å; T579-M582 PolarHBondContact O-N 2.96Å; M582-H584 PolarHBondContact O-N 3.42Å; M582-F607 HydrophobicContact CG-CZ 3.93Å; M582-F607 HydrophobicContact SD-CE2 4.12Å; M582-F607 HydrophobicContact SD-CZ 3.62Å; M582-Q611 HydrophobicContact SD-CG 3.85Å; M582-Q611 PolarHBondContact SD-OE1 3.15Å; M582-Q611 VanDerWaalsContact SD-OE1 3.34Å |
| 583 | R | 83.1 | Confident | 89.2 | Confident | 144 Ų | 144 | 52.1 Ų | 52.1 | 54% | 0.543 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 2.7 | 171.9 | -72.6 | 179.3 | 170.9 | 164 | 0.6 | 113.6 | D515 T579 A580 V581 D585 | D515-R583 IonicContact OD1-CZ 3.33Å; D515-R583 IonicContact OD1-NH2 4Å; D515-R583 PolarHBondContact OD1-NH2 3.36Å; D515-R583 IonicContact OD2-CZ 2.83Å; D515-R583 IonicContact OD2-NH1 3.71Å; D515-R583 PolarHBondContact OD2-NH1 2.98Å; D515-R583 VanDerWaalsContact OD2-NH1 3.12Å; D515-R583 IonicContact OD2-NH2 2.87Å; D515-R583 PolarHBondContact OD2-NH2 3.41Å; T579-R583 WeakPolarHBondContact O-CG 3.35Å; T579-R583 PolarHBondContact O-N 3.45Å; A580-R583 PolarHBondContact O-N 2.75Å; V581-R583 PolarHBondContact O-N 2.87Å; R583-D585 PolarHBondContact O-N 3.43Å; R583-D585 VanDerWaalsContact O-N 3.17Å |
| 584 | H | 85.6 | Confident | 89.3 | Confident | 144 Ų | 144 | 56.6 Ų | 56.6 | 67% | 0.667 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 20 | -171.2 | -54.3 | -74.8 | 0 | 0 | 0 | 114 | A580 V581 M582 L586 Y613 | A580-H584 PolarHBondContact O-N 3.27Å; V581-H584 PolarHBondContact O-N 2.9Å; M582-H584 PolarHBondContact O-N 3.42Å; H584-L586 PolarHBondContact O-N 3.17Å; H584-Y613 PolarHBondContact ND1-OH 3.22Å; H584-Y613 VanDerWaalsContact ND1-OH 3.09Å |
| 585 | D | 88.8 | Confident | 89.3 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | trans | -91.3 | 76.9 | 174.7 | -171.6 | -10.7 | 0 | 0 | 0 | 110 | A580 R583 E587 M588 A589 | A580-D585 PolarHBondContact O-N 3.05Å; R583-D585 PolarHBondContact O-N 3.43Å; R583-D585 VanDerWaalsContact O-N 3.17Å; D585-E587 PolarHBondContact O-N 3.45Å; D585-E587 PolarHBondContact OD1-N 2.91Å; D585-M588 HydrophobicContact CB-CB 4.36Å; D585-M588 VanDerWaalsContact CG-CB 3.47Å; D585-M588 WeakPolarHBondContact OD1-CB 3.17Å; D585-M588 PolarHBondContact OD1-N 2.92Å; D585-M588 WeakPolarHBondContact OD2-CB 3.26Å; D585-A589 PolarHBondContact O-N 2.96Å; D585-A589 VanDerWaalsContact O-N 3.13Å | ||
| 586 | L | 86.7 | Confident | 89.3 | Confident | 58 Ų | 58 | 61 Ų | 61 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.7 | -22.9 | 178.8 | -62.3 | 178.8 | 0 | 0 | 0 | 112.4 | H584 N590 Y613 | H584-L586 PolarHBondContact O-N 3.17Å; L586-N590 WeakPolarHBondContact O-CB 3.49Å; L586-N590 PolarHBondContact O-N 3.04Å; L586-N590 PolarHBondContact O-ND2 3.39Å; L586-N590 VanDerWaalsContact O-ND2 3.11Å; L586-Y613 HydrophobicContact CD1-CE1 4.14Å; L586-Y613 HydrophobicContact CD2-CE1 4.17Å |
| 587 | E | 91.2 | Very high | 89.2 | Confident | 131 Ų | 131 | 60.5 Ų | 60.5 | 61% | 0.612 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71.4 | -45.4 | 179.6 | -156.9 | -165.2 | 139.7 | 0 | 0 | 110.7 | D585 N590 K591 | D585-E587 PolarHBondContact O-N 3.45Å; D585-E587 PolarHBondContact OD1-N 2.91Å; E587-N590 PolarHBondContact O-N 2.75Å; E587-K591 WeakPolarHBondContact O-CG 3.33Å; E587-K591 PolarHBondContact O-N 3.22Å; E587-K591 IonicContact OE1-NZ 2.76Å; E587-K591 PolarHBondContact OE1-NZ 3.25Å |
| 588 | M | 90 | Very high | 89.1 | Confident | 98 Ų | 98 | 67.1 Ų | 67.1 | 48% | 0.483 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 173.1 | -172.5 | 174.4 | -172 | 0 | 0 | 111.4 | A580 D585 N590 K591 I592 | A580-M588 HydrophobicContact CB-CB 4.36Å; A580-M588 HydrophobicContact CB-CG 4.41Å; D585-M588 HydrophobicContact CB-CB 4.36Å; D585-M588 VanDerWaalsContact CG-CB 3.47Å; D585-M588 WeakPolarHBondContact OD1-CB 3.17Å; D585-M588 PolarHBondContact OD1-N 2.92Å; D585-M588 WeakPolarHBondContact OD2-CB 3.26Å; M588-N590 VanDerWaalsContact C-N 3.31Å; M588-N590 PolarHBondContact O-N 2.96Å; M588-K591 WeakPolarHBondContact O-CB 3.49Å; M588-K591 PolarHBondContact O-N 2.92Å; M588-K591 VanDerWaalsContact O-N 3.12Å; M588-I592 HydrophobicContact CE-CD1 4.26Å; M588-I592 HydrophobicContact CG-CD1 3.93Å; M588-I592 WeakPolarHBondContact O-CG1 3.49Å; M588-I592 PolarHBondContact O-N 3.34Å; M588-I592 VanDerWaalsContact O-N 3.09Å |
| 589 | A | 90 | Very high | 88.9 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.008 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y577 A580 V581 D585 K591 I592 L593 | Y577-A589 HydrophobicContact CD2-CB 3.98Å; Y577-A589 VanDerWaalsContact CD2-O 3.27Å; Y577-A589 WeakPolarHBondContact CD2-O 3.34Å; Y577-A589 HydrophobicContact CE2-CB 3.7Å; Y577-A589 VanDerWaalsContact CE2-O 3.24Å; Y577-A589 WeakPolarHBondContact CE2-O 3.48Å; A580-A589 HydrophobicContact CB-CB 4.04Å; V581-A589 HydrophobicContact CG2-CB 3.92Å; D585-A589 PolarHBondContact O-N 2.96Å; D585-A589 VanDerWaalsContact O-N 3.13Å; A589-K591 VanDerWaalsContact C-N 3.31Å; A589-K591 PolarHBondContact O-N 3.11Å; A589-I592 PolarHBondContact O-N 2.82Å; A589-I592 VanDerWaalsContact O-N 3.15Å; A589-L593 PolarHBondContact O-N 3.4Å |
| 590 | N | 89.8 | Confident | 88.9 | Confident | 96 Ų | 96 | 75.5 Ų | 75.5 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.8 | -30.3 | 178 | -73.8 | -26.6 | 0 | 0 | 0 | 113.3 | L586 E587 M588 P594 | L586-N590 WeakPolarHBondContact O-CB 3.49Å; L586-N590 PolarHBondContact O-N 3.04Å; L586-N590 PolarHBondContact O-ND2 3.39Å; L586-N590 VanDerWaalsContact O-ND2 3.11Å; E587-N590 PolarHBondContact O-N 2.75Å; M588-N590 VanDerWaalsContact C-N 3.31Å; M588-N590 PolarHBondContact O-N 2.96Å; N590-P594 WeakPolarHBondContact O-CD 3.31Å |
| 591 | K | 93.2 | Very high | 89 | Confident | 138 Ų | 138 | 76.3 Ų | 76.3 | 60% | 0.6 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -70.9 | -33 | 173.4 | -70.7 | 169.9 | -172.3 | 161.7 | 0 | 112.1 | E587 M588 A589 P594 | E587-K591 WeakPolarHBondContact O-CG 3.33Å; E587-K591 PolarHBondContact O-N 3.22Å; E587-K591 IonicContact OE1-NZ 2.76Å; E587-K591 PolarHBondContact OE1-NZ 3.25Å; M588-K591 WeakPolarHBondContact O-CB 3.49Å; M588-K591 PolarHBondContact O-N 2.92Å; M588-K591 VanDerWaalsContact O-N 3.12Å; A589-K591 VanDerWaalsContact C-N 3.31Å; A589-K591 PolarHBondContact O-N 3.11Å; K591-P594 WeakPolarHBondContact O-CD 3.48Å |
| 592 | I | 90.9 | Very high | 89 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 13% | 0.128 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -81.4 | -34.9 | -178.9 | -63.4 | 164.9 | 0 | 0 | 0 | 111.6 | A573 N576 M588 A589 P594 T595 | A573-I592 HydrophobicContact CB-CG2 4.43Å; A573-I592 WeakPolarHBondContact O-CG2 3.41Å; N576-I592 HydrophobicContact CB-CD1 4.1Å; M588-I592 HydrophobicContact CE-CD1 4.26Å; M588-I592 HydrophobicContact CG-CD1 3.93Å; M588-I592 WeakPolarHBondContact O-CG1 3.49Å; M588-I592 PolarHBondContact O-N 3.34Å; M588-I592 VanDerWaalsContact O-N 3.09Å; A589-I592 PolarHBondContact O-N 2.82Å; A589-I592 VanDerWaalsContact O-N 3.15Å; I592-P594 VanDerWaalsContact C-N 3.32Å; I592-P594 VanDerWaalsContact O-N 3.1Å; I592-T595 WeakPolarHBondContact O-CB 3.34Å; I592-T595 PolarHBondContact O-N 3.48Å; I592-T595 PolarHBondContact O-OG1 3.09Å |
| 593 | L | 90.7 | Very high | 89.2 | Confident | 42 Ų | 42 | 80 Ų | 80 | 22% | 0.22 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -47.3 | -42.1 | -173.8 | -175.1 | 66.1 | 0 | 0 | 0 | 114.9 | Y577 A589 T595 I596 L601 V620 | Y577-L593 HydrophobicContact CD2-CB 4.33Å; Y577-L593 HydrophobicContact CD2-CD1 4.42Å; Y577-L593 HydrophobicContact CE2-CB 3.94Å; Y577-L593 HydrophobicContact CE2-CD1 3.89Å; Y577-L593 HydrophobicContact CE2-CG 4.42Å; A589-L593 PolarHBondContact O-N 3.4Å; L593-T595 PolarHBondContact O-N 2.79Å; L593-I596 HydrophobicContact CD1-CD1 4.39Å; L593-I596 PolarHBondContact O-N 3.03Å; L593-L601 HydrophobicContact CD1-CD2 4.13Å; L593-V620 HydrophobicContact CD1-CG1 4.13Å; L593-V620 HydrophobicContact CD1-CG2 4Å; L593-V620 HydrophobicContact CD2-CG2 3.86Å |
| 594 | P | 91.7 | Very high | 89.5 | Confident | 111 Ų | 111 | 73.1 Ų | 73.1 | 72% | 0.721 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -65.8 | -19.8 | 178.9 | -21.1 | 34.5 | 0 | 0 | 0 | 114.4 | N590 K591 I592 I596 | N590-P594 WeakPolarHBondContact O-CD 3.31Å; K591-P594 WeakPolarHBondContact O-CD 3.48Å; I592-P594 VanDerWaalsContact C-N 3.32Å; I592-P594 VanDerWaalsContact O-N 3.1Å; P594-I596 VanDerWaalsContact C-N 3.3Å |
| 595 | T | 91.6 | Very high | 89.8 | Confident | 91 Ų | 91 | 66.3 Ų | 66.3 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -81.2 | -11.7 | 179 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | I592 L593 | I592-T595 WeakPolarHBondContact O-CB 3.34Å; I592-T595 PolarHBondContact O-N 3.48Å; I592-T595 PolarHBondContact O-OG1 3.09Å; L593-T595 PolarHBondContact O-N 2.79Å |
| 596 | I | 90.9 | Very high | 89.9 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 5% | 0.051 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -82.9 | 126.2 | -177.5 | -58.7 | 179.4 | 0 | 0 | 0 | 109.6 | A573 V574 Y577 L593 P594 N600 L601 V604 | A573-I596 HydrophobicContact CB-CG1 4Å; V574-I596 HydrophobicContact CG2-CG2 3.84Å; Y577-I596 HydrophobicContact CD2-CD1 4.1Å; Y577-I596 HydrophobicContact CG-CD1 3.89Å; L593-I596 HydrophobicContact CD1-CD1 4.39Å; L593-I596 PolarHBondContact O-N 3.03Å; P594-I596 VanDerWaalsContact C-N 3.3Å; I596-N600 HydrophobicContact CG2-CB 3.85Å; I596-L601 HydrophobicContact CB-CD2 4.12Å; I596-L601 HydrophobicContact CG2-CD2 3.93Å; I596-V604 HydrophobicContact CD1-CG2 4.06Å; I596-V604 HydrophobicContact CG2-CG2 4.41Å |
| 597 | P | 88.7 | Confident | 90 | Very high | 51 Ų | 51 | 66.5 Ų | 66.5 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | trans | -60.9 | 149.7 | 174.9 | -21.6 | 31.3 | 0 | 0 | 0 | 112.5 | M571 D599 N600 | M571-P597 HydrophobicContact CE-CG 3.62Å; P597-D599 PolarHBondContact O-N 3.07Å; P597-N600 PolarHBondContact O-N 3.49Å | ||
| 598 | K | 88.5 | Confident | 89.9 | Confident | 143 Ų | 143 | 60.3 Ų | 60.3 | 62% | 0.622 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -55.1 | -38.7 | -176.1 | -67.4 | -175.9 | 179.1 | -179.9 | 0 | 113.3 | N600 L601 | K598-N600 PolarHBondContact O-N 3.5Å; K598-N600 VanDerWaalsContact O-N 3.11Å; K598-L601 HydrophobicContact CB-CD1 4.46Å; K598-L601 HydrophobicContact CG-CD1 4.37Å; K598-L601 WeakPolarHBondContact O-CB 3.37Å; K598-L601 PolarHBondContact O-N 3.48Å |
| 599 | D | 86.1 | Confident | 89.9 | Confident | 148 Ų | 148 | 57.5 Ų | 57.5 | 79% | 0.791 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.5 | -25.5 | -178.5 | -50 | -28.4 | 0 | 0 | 0 | 113 | P597 | P597-D599 PolarHBondContact O-N 3.07Å |
| 600 | N | 87.8 | Confident | 89.8 | Confident | 40 Ų | 40 | 64.2 Ų | 64.2 | 21% | 0.214 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -94.3 | -10 | 179.5 | -71.1 | -63.8 | 0 | 0 | 0 | 113.6 | V574 I596 P597 K598 N602 R603 V604 | V574-N600 HydrophobicContact CG2-CB 3.87Å; I596-N600 HydrophobicContact CG2-CB 3.85Å; P597-N600 PolarHBondContact O-N 3.49Å; K598-N600 PolarHBondContact O-N 3.5Å; K598-N600 VanDerWaalsContact O-N 3.11Å; N600-N602 VanDerWaalsContact C-N 3.31Å; N600-N602 PolarHBondContact O-N 3.08Å; N600-R603 WeakPolarHBondContact O-CB 3.46Å; N600-R603 PolarHBondContact O-N 3.07Å; N600-R603 VanDerWaalsContact O-N 3.13Å; N600-V604 WeakPolarHBondContact O-CG2 3.44Å; N600-V604 PolarHBondContact O-N 3.39Å; N600-V604 VanDerWaalsContact O-N 3.07Å |
| 601 | L | 90.5 | Very high | 89.7 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.1 | -34.9 | -175.4 | -65.9 | 176.8 | 0 | 0 | 0 | 112.3 | L593 I596 K598 R603 V604 A605 V620 Q622 | L593-L601 HydrophobicContact CD1-CD2 4.13Å; I596-L601 HydrophobicContact CB-CD2 4.12Å; I596-L601 HydrophobicContact CG2-CD2 3.93Å; K598-L601 HydrophobicContact CB-CD1 4.46Å; K598-L601 HydrophobicContact CG-CD1 4.37Å; K598-L601 WeakPolarHBondContact O-CB 3.37Å; K598-L601 PolarHBondContact O-N 3.48Å; L601-R603 VanDerWaalsContact C-N 3.31Å; L601-R603 PolarHBondContact O-N 3.33Å; L601-V604 PolarHBondContact O-N 3.26Å; L601-A605 WeakPolarHBondContact O-CB 3.28Å; L601-A605 PolarHBondContact O-N 2.87Å; L601-V620 HydrophobicContact CB-CG1 4.1Å; L601-V620 HydrophobicContact CD2-CG1 4.04Å; L601-Q622 HydrophobicContact CD1-CG 4.35Å |
| 602 | N | 90.2 | Very high | 89.5 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 25% | 0.246 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 175 | -69.8 | -20.9 | 0 | 0 | 0 | 112 | N600 A605 R606 Q622 D623 | N600-N602 VanDerWaalsContact C-N 3.31Å; N600-N602 PolarHBondContact O-N 3.08Å; N602-A605 PolarHBondContact O-N 3.33Å; N602-R606 WeakPolarHBondContact O-CG 3.41Å; N602-R606 PolarHBondContact O-N 3.16Å; N602-Q622 PolarHBondContact OD1-N 3.31Å; N602-D623 PolarHBondContact OD1-N 2.88Å; N602-D623 VanDerWaalsContact OD1-N 3.11Å |
| 603 | R | 86.4 | Confident | 89.5 | Confident | 73 Ų | 73 | 59.2 Ų | 59.2 | 28% | 0.275 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 174.7 | -175.9 | -179 | -178.1 | 148.9 | 8.7 | 111.1 | Y528 N600 L601 F607 | Y528-R603 PolarHBondContact OH-NH2 3.33Å; N600-R603 WeakPolarHBondContact O-CB 3.46Å; N600-R603 PolarHBondContact O-N 3.07Å; N600-R603 VanDerWaalsContact O-N 3.13Å; L601-R603 VanDerWaalsContact C-N 3.31Å; L601-R603 PolarHBondContact O-N 3.33Å; R603-F607 PolarHBondContact O-N 2.8Å; R603-F607 VanDerWaalsContact O-N 3.09Å |
| 604 | V | 89.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.8 | 174.9 | 0 | 0 | 0 | 0 | 111 | V574 Y577 I596 N600 L601 R606 F607 L608 V620 | V574-V604 HydrophobicContact CG1-CG2 4.12Å; V574-V604 HydrophobicContact CG2-CG2 4.44Å; Y577-V604 HydrophobicContact CD1-CG1 3.58Å; Y577-V604 HydrophobicContact CE1-CG1 3.23Å; Y577-V604 HydrophobicContact CG-CG1 4.48Å; I596-V604 HydrophobicContact CD1-CG2 4.06Å; I596-V604 HydrophobicContact CG2-CG2 4.41Å; N600-V604 WeakPolarHBondContact O-CG2 3.44Å; N600-V604 PolarHBondContact O-N 3.39Å; N600-V604 VanDerWaalsContact O-N 3.07Å; L601-V604 PolarHBondContact O-N 3.26Å; V604-R606 PolarHBondContact O-N 2.79Å; V604-F607 WeakPolarHBondContact O-CB 3.2Å; V604-F607 PolarHBondContact O-N 3.36Å; V604-F607 VanDerWaalsContact O-N 3.15Å; V604-L608 HydrophobicContact CG1-CD1 4.22Å; V604-L608 HydrophobicContact CG1-CG 4.49Å; V604-L608 WeakPolarHBondContact O-CG 3.49Å; V604-L608 PolarHBondContact O-N 2.93Å; V604-V620 HydrophobicContact CB-CG1 4.29Å; V604-V620 HydrophobicContact CG1-CG1 4.09Å |
| 605 | A | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L601 N602 F607 L608 E609 A617 V620 | L601-A605 WeakPolarHBondContact O-CB 3.28Å; L601-A605 PolarHBondContact O-N 2.87Å; N602-A605 PolarHBondContact O-N 3.33Å; A605-F607 PolarHBondContact O-N 3.47Å; A605-L608 PolarHBondContact O-N 3.36Å; A605-E609 PolarHBondContact O-N 3.41Å; A605-A617 WeakPolarHBondContact O-CB 3.39Å; A605-V620 HydrophobicContact CB-CB 4.39Å; A605-V620 HydrophobicContact CB-CG1 4.34Å |
| 606 | R | 90.4 | Very high | 89.4 | Confident | 129 Ų | 129 | 56.6 Ų | 56.6 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.7 | -29.1 | 174.8 | -71.1 | -179.6 | -174.9 | 155.9 | 3.7 | 113 | N602 V604 R610 D623 | N602-R606 WeakPolarHBondContact O-CG 3.41Å; N602-R606 PolarHBondContact O-N 3.16Å; V604-R606 PolarHBondContact O-N 2.79Å; R606-R610 PolarHBondContact O-N 2.9Å; R606-R610 PolarHBondContact O-NE 2.7Å; R606-D623 IonicContact NH2-OD2 3.12Å |
| 607 | F | 88.6 | Confident | 89.5 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.2 | -48.2 | 172.3 | 168.6 | -97.3 | 0 | 0 | 0 | 111.1 | Q578 V581 M582 R603 V604 A605 E609 R610 Q611 | Q578-F607 HydrophobicContact CB-CD1 4.44Å; Q578-F607 HydrophobicContact CB-CE1 3.91Å; Q578-F607 HydrophobicContact CB-CE2 4.31Å; Q578-F607 HydrophobicContact CB-CZ 3.82Å; Q578-F607 HydrophobicContact CG-CD1 3.74Å; Q578-F607 HydrophobicContact CG-CD2 4.21Å; Q578-F607 HydrophobicContact CG-CE1 3.72Å; Q578-F607 HydrophobicContact CG-CE2 4.19Å; Q578-F607 HydrophobicContact CG-CG 3.98Å; Q578-F607 HydrophobicContact CG-CZ 3.94Å; V581-F607 HydrophobicContact CB-CE1 3.94Å; V581-F607 HydrophobicContact CG1-CE1 3.86Å; V581-F607 HydrophobicContact CG1-CZ 4.47Å; V581-F607 HydrophobicContact CG2-CE1 4.48Å; M582-F607 HydrophobicContact CG-CZ 3.93Å; M582-F607 HydrophobicContact SD-CE2 4.12Å; M582-F607 HydrophobicContact SD-CZ 3.62Å; R603-F607 PolarHBondContact O-N 2.8Å; R603-F607 VanDerWaalsContact O-N 3.09Å; V604-F607 WeakPolarHBondContact O-CB 3.2Å; V604-F607 PolarHBondContact O-N 3.36Å; V604-F607 VanDerWaalsContact O-N 3.15Å; A605-F607 PolarHBondContact O-N 3.47Å; F607-E609 VanDerWaalsContact C-N 3.29Å; F607-E609 PolarHBondContact O-N 3.11Å; F607-R610 PolarHBondContact O-N 3.25Å; F607-Q611 HydrophobicContact CD2-CG 4.28Å; F607-Q611 HydrophobicContact CE1-CG 4.13Å; F607-Q611 HydrophobicContact CE2-CG 3.83Å; F607-Q611 HydrophobicContact CZ-CG 3.77Å; F607-Q611 WeakPolarHBondContact O-CG 3.28Å; F607-Q611 PolarHBondContact O-N 3.12Å |
| 608 | L | 90.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.5 | -41.7 | 175.8 | -72.9 | 169.5 | 0 | 0 | 0 | 112.4 | Y577 V581 V604 A605 Q611 G612 Y613 Q616 A617 V620 | Y577-L608 HydrophobicContact CE1-CD1 4.35Å; Y577-L608 HydrophobicContact CE1-CD2 4.1Å; Y577-L608 HydrophobicContact CE1-CG 4.25Å; Y577-L608 WeakPolarHBondContact OH-CD1 3.33Å; V581-L608 HydrophobicContact CG1-CD2 4.06Å; V581-L608 HydrophobicContact CG2-CD2 3.98Å; V604-L608 HydrophobicContact CG1-CD1 4.22Å; V604-L608 HydrophobicContact CG1-CG 4.49Å; V604-L608 WeakPolarHBondContact O-CG 3.49Å; V604-L608 PolarHBondContact O-N 2.93Å; A605-L608 PolarHBondContact O-N 3.36Å; L608-Q611 CarbonylContact O-C 3.58Å; L608-Q611 PolarHBondContact O-N 3.37Å; L608-G612 PolarHBondContact O-N 3.33Å; L608-G612 VanDerWaalsContact O-N 3.17Å; L608-Y613 HydrophobicContact CD2-CD2 4.31Å; L608-Y613 HydrophobicContact CD2-CG 4.46Å; L608-Y613 PolarHBondContact O-N 3.25Å; L608-Q616 HydrophobicContact CD1-CB 4.17Å; L608-A617 HydrophobicContact CB-CB 3.78Å; L608-V620 HydrophobicContact CD1-CB 4.36Å; L608-V620 HydrophobicContact CD1-CG2 4.02Å |
| 609 | E | 90.7 | Very high | 89.8 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 176.1 | -178.7 | -176.3 | -164.1 | 0 | 0 | 111.8 | A605 F607 Q611 G612 A617 H626 L630 K633 | A605-E609 PolarHBondContact O-N 3.41Å; F607-E609 VanDerWaalsContact C-N 3.29Å; F607-E609 PolarHBondContact O-N 3.11Å; E609-Q611 VanDerWaalsContact C-N 3.26Å; E609-Q611 PolarHBondContact O-N 3.38Å; E609-G612 PolarHBondContact O-N 3.43Å; E609-A617 HydrophobicContact CB-CB 4.22Å; E609-H626 IonicContact OE2-CD2 3.73Å; E609-H626 IonicContact OE2-CE1 2.85Å; E609-H626 IonicContact OE2-NE2 3.56Å; E609-H626 PolarHBondContact OE2-NE2 2.85Å; E609-L630 HydrophobicContact CB-CD2 4.14Å; E609-L630 HydrophobicContact CG-CD2 3.76Å; E609-K633 IonicContact OE1-NZ 2.8Å; E609-K633 PolarHBondContact OE1-NZ 3.44Å |
| 610 | R | 87.6 | Confident | 90.1 | Very high | 142 Ų | 142 | 45 Ų | 45 | 54% | 0.536 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -35.4 | 177.8 | -80.3 | -174.3 | -80.4 | 172.9 | -5.2 | 112.6 | R606 F607 G612 | R606-R610 PolarHBondContact O-N 2.9Å; R606-R610 PolarHBondContact O-NE 2.7Å; F607-R610 PolarHBondContact O-N 3.25Å; R610-G612 PolarHBondContact O-N 3.22Å |
| 611 | Q | 87.6 | Confident | 90.3 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 3.2 | 175.3 | -63.5 | -57.7 | -37.7 | 0 | 0 | 113.4 | D533 M582 F607 L608 E609 Y613 | D533-Q611 PolarHBondContact OD2-NE2 2.91Å; M582-Q611 HydrophobicContact SD-CG 3.85Å; M582-Q611 PolarHBondContact SD-OE1 3.15Å; M582-Q611 VanDerWaalsContact SD-OE1 3.34Å; F607-Q611 HydrophobicContact CD2-CG 4.28Å; F607-Q611 HydrophobicContact CE1-CG 4.13Å; F607-Q611 HydrophobicContact CE2-CG 3.83Å; F607-Q611 HydrophobicContact CZ-CG 3.77Å; F607-Q611 WeakPolarHBondContact O-CG 3.28Å; F607-Q611 PolarHBondContact O-N 3.12Å; L608-Q611 CarbonylContact O-C 3.58Å; L608-Q611 PolarHBondContact O-N 3.37Å; E609-Q611 VanDerWaalsContact C-N 3.26Å; E609-Q611 PolarHBondContact O-N 3.38Å; Q611-Y613 VanDerWaalsContact C-N 3.34Å; Q611-Y613 HydrophobicContact CB-CD2 3.85Å; Q611-Y613 HydrophobicContact CB-CE2 4.17Å; Q611-Y613 PolarHBondContact O-N 2.77Å |
| 612 | G | 88.5 | Confident | 90.3 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 55% | 0.546 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -0.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L608 E609 R610 T614 | L608-G612 PolarHBondContact O-N 3.33Å; L608-G612 VanDerWaalsContact O-N 3.17Å; E609-G612 PolarHBondContact O-N 3.43Å; R610-G612 PolarHBondContact O-N 3.22Å; G612-T614 PolarHBondContact O-N 2.97Å |
| 613 | Y | 90.3 | Very high | 90.3 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | trans | -83.6 | 58.1 | 177.4 | -62.8 | -73.5 | 0 | 0 | 0 | 111.6 | V581 H584 L586 L608 Q611 T615 Q616 A617 | V581-Y613 HydrophobicContact CG1-CD2 3.86Å; V581-Y613 HydrophobicContact CG1-CE2 3.63Å; H584-Y613 PolarHBondContact ND1-OH 3.22Å; H584-Y613 VanDerWaalsContact ND1-OH 3.09Å; L586-Y613 HydrophobicContact CD1-CE1 4.14Å; L586-Y613 HydrophobicContact CD2-CE1 4.17Å; L608-Y613 HydrophobicContact CD2-CD2 4.31Å; L608-Y613 HydrophobicContact CD2-CG 4.46Å; L608-Y613 PolarHBondContact O-N 3.25Å; Q611-Y613 VanDerWaalsContact C-N 3.34Å; Q611-Y613 HydrophobicContact CB-CD2 3.85Å; Q611-Y613 HydrophobicContact CB-CE2 4.17Å; Q611-Y613 PolarHBondContact O-N 2.77Å; Y613-T615 PolarHBondContact O-N 3.34Å; Y613-Q616 PolarHBondContact O-N 3.5Å; Y613-A617 WeakPolarHBondContact O-CB 3.28Å; Y613-A617 PolarHBondContact O-N 3.04Å | ||
| 614 | T | 90.9 | Very high | 90.5 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.8 | -39.8 | -173.3 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | G612 A617 L618 L630 I634 | G612-T614 PolarHBondContact O-N 2.97Å; T614-A617 WeakPolarHBondContact O-CB 3.17Å; T614-A617 PolarHBondContact O-N 3.31Å; T614-L618 PolarHBondContact O-N 3.34Å; T614-L630 HydrophobicContact CG2-CD2 4.44Å; T614-I634 WeakPolarHBondContact O-CD1 3.38Å |
| 615 | T | 91.4 | Very high | 90.6 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 47% | 0.466 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 177.4 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | Y613 L618 A619 | Y613-T615 PolarHBondContact O-N 3.34Å; T615-L618 PolarHBondContact O-N 3.1Å; T615-A619 PolarHBondContact O-N 2.95Å |
| 616 | Q | 91.1 | Very high | 90.6 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 34% | 0.341 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 175.6 | -64 | 87 | -20 | 0 | 0 | 110.8 | L608 Y613 L618 A619 V620 | L608-Q616 HydrophobicContact CD1-CB 4.17Å; Y613-Q616 PolarHBondContact O-N 3.5Å; Q616-L618 VanDerWaalsContact C-N 3.26Å; Q616-L618 PolarHBondContact O-N 3.45Å; Q616-A619 PolarHBondContact O-N 2.94Å; Q616-A619 VanDerWaalsContact O-N 3.12Å; Q616-V620 WeakPolarHBondContact O-CG2 3.39Å; Q616-V620 PolarHBondContact O-N 2.84Å; Q616-V620 VanDerWaalsContact O-N 3.09Å |
| 617 | A | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.9 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A605 L608 E609 Y613 T614 A619 V620 S621 L630 | A605-A617 WeakPolarHBondContact O-CB 3.39Å; L608-A617 HydrophobicContact CB-CB 3.78Å; E609-A617 HydrophobicContact CB-CB 4.22Å; Y613-A617 WeakPolarHBondContact O-CB 3.28Å; Y613-A617 PolarHBondContact O-N 3.04Å; T614-A617 WeakPolarHBondContact O-CB 3.17Å; T614-A617 PolarHBondContact O-N 3.31Å; A617-A619 VanDerWaalsContact C-N 3.32Å; A617-A619 PolarHBondContact O-N 3.38Å; A617-V620 PolarHBondContact O-N 2.87Å; A617-S621 VanDerWaalsContact O-CB 3.31Å; A617-S621 WeakPolarHBondContact O-CB 3.48Å; A617-S621 PolarHBondContact O-N 3.22Å; A617-L630 HydrophobicContact CB-CD1 3.81Å; A617-L630 HydrophobicContact CB-CD2 4.22Å |
| 618 | L | 92.8 | Very high | 91.1 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 177.8 | 178.9 | 62.6 | 0 | 0 | 0 | 112.5 | T614 T615 Q616 R627 L630 A631 I634 Q636 | T614-L618 PolarHBondContact O-N 3.34Å; T615-L618 PolarHBondContact O-N 3.1Å; Q616-L618 VanDerWaalsContact C-N 3.26Å; Q616-L618 PolarHBondContact O-N 3.45Å; L618-R627 HydrophobicContact CD1-CB 3.92Å; L618-R627 HydrophobicContact CD1-CG 4.24Å; L618-R627 VanDerWaalsContact CD1-O 3.23Å; L618-R627 WeakPolarHBondContact CD1-O 3.39Å; L618-L630 HydrophobicContact CB-CB 4.22Å; L618-L630 HydrophobicContact CB-CD1 4.47Å; L618-L630 HydrophobicContact CD1-CB 4.04Å; L618-A631 HydrophobicContact CD1-CB 4.15Å; L618-A631 HydrophobicContact CD2-CB 4.2Å; L618-I634 HydrophobicContact CB-CD1 4Å; L618-I634 HydrophobicContact CD2-CD1 3.93Å; L618-Q636 VanDerWaalsContact CD2-OE1 3.23Å |
| 619 | A | 90.8 | Very high | 91.2 | Very high | 88 Ų | 88 | 53.9 Ų | 53.9 | 73% | 0.727 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -72.7 | -30.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T615 Q616 A617 | T615-A619 PolarHBondContact O-N 2.95Å; Q616-A619 PolarHBondContact O-N 2.94Å; Q616-A619 VanDerWaalsContact O-N 3.12Å; A617-A619 VanDerWaalsContact C-N 3.32Å; A617-A619 PolarHBondContact O-N 3.38Å |
| 620 | V | 92.1 | Very high | 91.4 | Very high | 12 Ų | 12 | 52 Ų | 52 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -89.4 | -34.9 | -177.1 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | L593 L601 V604 A605 L608 Q616 A617 Q622 | L593-V620 HydrophobicContact CD1-CG1 4.13Å; L593-V620 HydrophobicContact CD1-CG2 4Å; L593-V620 HydrophobicContact CD2-CG2 3.86Å; L601-V620 HydrophobicContact CB-CG1 4.1Å; L601-V620 HydrophobicContact CD2-CG1 4.04Å; V604-V620 HydrophobicContact CB-CG1 4.29Å; V604-V620 HydrophobicContact CG1-CG1 4.09Å; A605-V620 HydrophobicContact CB-CB 4.39Å; A605-V620 HydrophobicContact CB-CG1 4.34Å; L608-V620 HydrophobicContact CD1-CB 4.36Å; L608-V620 HydrophobicContact CD1-CG2 4.02Å; Q616-V620 WeakPolarHBondContact O-CG2 3.39Å; Q616-V620 PolarHBondContact O-N 2.84Å; Q616-V620 VanDerWaalsContact O-N 3.09Å; A617-V620 PolarHBondContact O-N 2.87Å; V620-Q622 PolarHBondContact O-N 3.2Å |
| 621 | S | 92.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | trans | -62 | 136.6 | -176.2 | -170 | 0 | 0 | 0 | 0 | 111.2 | A617 H626 R627 | A617-S621 VanDerWaalsContact O-CB 3.31Å; A617-S621 WeakPolarHBondContact O-CB 3.48Å; A617-S621 PolarHBondContact O-N 3.22Å; S621-H626 PolarHBondContact OG-ND1 3.33Å; S621-R627 WeakPolarHBondContact O-CD 3.31Å | ||
| 622 | Q | 89.9 | Confident | 91.9 | Very high | 96 Ų | 96 | 44.3 Ų | 44.3 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | trans | -105.6 | -18.2 | 173.5 | -63.8 | -162.9 | -11.6 | 0 | 0 | 112.4 | L601 N602 V620 A624 | L601-Q622 HydrophobicContact CD1-CG 4.35Å; N602-Q622 PolarHBondContact OD1-N 3.31Å; V620-Q622 PolarHBondContact O-N 3.2Å; Q622-A624 PolarHBondContact O-N 3.03Å | ||
| 623 | D | 90 | Very high | 92 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 24% | 0.235 | 26% | 0.255 | C | S | . | . | trans | -70.6 | 118.4 | 176.3 | 176.9 | 8.5 | 0 | 0 | 0 | 110.5 | N602 R606 D625 H626 R627 | N602-D623 PolarHBondContact OD1-N 2.88Å; N602-D623 VanDerWaalsContact OD1-N 3.11Å; R606-D623 IonicContact NH2-OD2 3.12Å; D623-D625 VanDerWaalsContact C-N 3.29Å; D623-D625 PolarHBondContact O-N 3.3Å; D623-D625 PolarHBondContact OD1-N 2.79Å; D623-D625 VanDerWaalsContact OD1-N 3.13Å; D623-H626 HydrophobicContact CB-CB 3.93Å; D623-H626 PolarHBondContact O-N 3.1Å; D623-R627 WeakPolarHBondContact O-CB 3.35Å; D623-R627 WeakPolarHBondContact O-CG 3.32Å; D623-R627 PolarHBondContact O-N 3.42Å | ||
| 624 | A | 90.6 | Very high | 92 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -36.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q622 F628 I643 | Q622-A624 PolarHBondContact O-N 3.03Å; A624-F628 VanDerWaalsContact O-CB 3.32Å; A624-F628 WeakPolarHBondContact O-CB 3.43Å; A624-F628 PolarHBondContact O-N 3.33Å; A624-I643 HydrophobicContact CB-CG2 4.23Å |
| 625 | D | 91.8 | Very high | 92 | Very high | 89 Ų | 89 | 47.5 Ų | 47.5 | 48% | 0.476 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.4 | -46.9 | -179.4 | -68 | -25.1 | 0 | 0 | 0 | 110.5 | D623 R627 F628 E629 K652 | D623-D625 VanDerWaalsContact C-N 3.29Å; D623-D625 PolarHBondContact O-N 3.3Å; D623-D625 PolarHBondContact OD1-N 2.79Å; D623-D625 VanDerWaalsContact OD1-N 3.13Å; D625-R627 PolarHBondContact O-N 3.48Å; D625-F628 WeakPolarHBondContact O-CB 3.29Å; D625-F628 PolarHBondContact O-N 3.28Å; D625-E629 PolarHBondContact O-N 3.41Å; D625-K652 WeakPolarHBondContact OD1-CE 3.32Å; D625-K652 IonicContact OD1-NZ 3.13Å; D625-K652 PolarHBondContact OD1-NZ 2.73Å |
| 626 | H | 93.3 | Very high | 92 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 175.9 | -174.5 | -143.3 | 0 | 0 | 0 | 112.4 | E609 S621 D623 F628 E629 L630 | E609-H626 IonicContact OE2-CD2 3.73Å; E609-H626 IonicContact OE2-CE1 2.85Å; E609-H626 IonicContact OE2-NE2 3.56Å; E609-H626 PolarHBondContact OE2-NE2 2.85Å; S621-H626 PolarHBondContact OG-ND1 3.33Å; D623-H626 HydrophobicContact CB-CB 3.93Å; D623-H626 PolarHBondContact O-N 3.1Å; H626-F628 VanDerWaalsContact C-N 3.32Å; H626-F628 PolarHBondContact O-N 2.9Å; H626-E629 PolarHBondContact O-N 2.63Å; H626-L630 WeakPolarHBondContact O-CB 3.41Å; H626-L630 VanDerWaalsContact O-CG 3.32Å; H626-L630 WeakPolarHBondContact O-CG 3.31Å; H626-L630 PolarHBondContact O-N 3.01Å |
| 627 | R | 94.3 | Very high | 92 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 35% | 0.347 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 174.7 | -72.4 | 176.9 | 83.4 | -167.4 | -6.9 | 112.1 | L618 S621 D623 D625 L630 A631 I643 | L618-R627 HydrophobicContact CD1-CB 3.92Å; L618-R627 HydrophobicContact CD1-CG 4.24Å; L618-R627 VanDerWaalsContact CD1-O 3.23Å; L618-R627 WeakPolarHBondContact CD1-O 3.39Å; S621-R627 WeakPolarHBondContact O-CD 3.31Å; D623-R627 WeakPolarHBondContact O-CB 3.35Å; D623-R627 WeakPolarHBondContact O-CG 3.32Å; D623-R627 PolarHBondContact O-N 3.42Å; D625-R627 PolarHBondContact O-N 3.48Å; R627-L630 PolarHBondContact O-N 3.08Å; R627-A631 VanDerWaalsContact O-CB 3.28Å; R627-A631 WeakPolarHBondContact O-CB 3.2Å; R627-A631 PolarHBondContact O-N 3.31Å; R627-I643 HydrophobicContact CB-CD1 3.75Å |
| 628 | F | 94.1 | Very high | 92 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 177.7 | 179 | -102 | 0 | 0 | 0 | 110.8 | A624 D625 H626 L630 A631 L632 A640 I643 A644 K652 H655 L656 | A624-F628 VanDerWaalsContact O-CB 3.32Å; A624-F628 WeakPolarHBondContact O-CB 3.43Å; A624-F628 PolarHBondContact O-N 3.33Å; D625-F628 WeakPolarHBondContact O-CB 3.29Å; D625-F628 PolarHBondContact O-N 3.28Å; H626-F628 VanDerWaalsContact C-N 3.32Å; H626-F628 PolarHBondContact O-N 2.9Å; F628-L630 PolarHBondContact O-N 3.48Å; F628-A631 PolarHBondContact O-N 2.89Å; F628-L632 HydrophobicContact CD1-CD1 4.01Å; F628-L632 HydrophobicContact CE1-CD1 3.4Å; F628-L632 HydrophobicContact CE1-CG 4.19Å; F628-L632 HydrophobicContact CE2-CD1 4.45Å; F628-L632 HydrophobicContact CE2-CG 4.48Å; F628-L632 HydrophobicContact CZ-CD1 3.64Å; F628-L632 HydrophobicContact CZ-CD2 4.24Å; F628-L632 HydrophobicContact CZ-CG 4.11Å; F628-L632 WeakPolarHBondContact O-CG 3.41Å; F628-L632 PolarHBondContact O-N 3.29Å; F628-A640 HydrophobicContact CD2-CB 3.98Å; F628-A640 WeakPolarHBondContact CD2-O 3.29Å; F628-A640 HydrophobicContact CE2-CB 3.87Å; F628-A640 WeakPolarHBondContact CE2-O 3.37Å; F628-I643 HydrophobicContact CB-CD1 4.41Å; F628-I643 HydrophobicContact CB-CG2 4.01Å; F628-I643 HydrophobicContact CD2-CB 4.31Å; F628-I643 HydrophobicContact CD2-CG2 4.33Å; F628-A644 HydrophobicContact CE2-CB 4.17Å; F628-K652 HydrophobicContact CD1-CD 4.34Å; F628-K652 HydrophobicContact CD1-CG 4.09Å; F628-K652 HydrophobicContact CE1-CB 3.9Å; F628-K652 HydrophobicContact CE1-CG 3.89Å; F628-K652 HydrophobicContact CE2-CB 4.13Å; F628-K652 HydrophobicContact CG-CD 4.35Å; F628-K652 HydrophobicContact CZ-CB 3.72Å; F628-K652 HydrophobicContact CZ-CG 4.2Å; F628-K652 WeakPolarHBondContact CZ-O 3.44Å; F628-H655 HydrophobicContact CE1-CB 4.03Å; F628-H655 HydrophobicContact CZ-CB 4.28Å; F628-L656 HydrophobicContact CE2-CB 4.42Å; F628-L656 HydrophobicContact CZ-CB 4.2Å |
| 629 | E | 93.6 | Very high | 91.9 | Very high | 109 Ų | 109 | 51.8 Ų | 51.8 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.6 | -68.6 | -174.7 | 175.8 | 0 | 0 | 112.7 | D625 H626 L632 K633 | D625-E629 PolarHBondContact O-N 3.41Å; H626-E629 PolarHBondContact O-N 2.63Å; E629-L632 PolarHBondContact O-N 3.41Å; E629-K633 WeakPolarHBondContact O-CG 3.07Å; E629-K633 PolarHBondContact O-N 3.39Å |
| 630 | L | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.7 | -74.3 | 171.9 | 0 | 0 | 0 | 111.9 | E609 T614 A617 L618 H626 R627 F628 L632 K633 I634 | E609-L630 HydrophobicContact CB-CD2 4.14Å; E609-L630 HydrophobicContact CG-CD2 3.76Å; T614-L630 HydrophobicContact CG2-CD2 4.44Å; A617-L630 HydrophobicContact CB-CD1 3.81Å; A617-L630 HydrophobicContact CB-CD2 4.22Å; L618-L630 HydrophobicContact CB-CB 4.22Å; L618-L630 HydrophobicContact CB-CD1 4.47Å; L618-L630 HydrophobicContact CD1-CB 4.04Å; H626-L630 WeakPolarHBondContact O-CB 3.41Å; H626-L630 VanDerWaalsContact O-CG 3.32Å; H626-L630 WeakPolarHBondContact O-CG 3.31Å; H626-L630 PolarHBondContact O-N 3.01Å; R627-L630 PolarHBondContact O-N 3.08Å; F628-L630 PolarHBondContact O-N 3.48Å; L630-L632 VanDerWaalsContact C-N 3.31Å; L630-L632 PolarHBondContact O-N 2.82Å; L630-K633 PolarHBondContact O-N 3.17Å; L630-I634 VanDerWaalsContact O-CD1 3.31Å; L630-I634 WeakPolarHBondContact O-CD1 3.46Å; L630-I634 VanDerWaalsContact O-CG1 3.27Å; L630-I634 WeakPolarHBondContact O-CG1 3.34Å; L630-I634 PolarHBondContact O-N 3.33Å |
| 631 | A | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L618 R627 F628 G635 Q636 V639 A640 | L618-A631 HydrophobicContact CD1-CB 4.15Å; L618-A631 HydrophobicContact CD2-CB 4.2Å; R627-A631 VanDerWaalsContact O-CB 3.28Å; R627-A631 WeakPolarHBondContact O-CB 3.2Å; R627-A631 PolarHBondContact O-N 3.31Å; F628-A631 PolarHBondContact O-N 2.89Å; A631-G635 PolarHBondContact O-N 3.41Å; A631-Q636 PolarHBondContact O-N 3.14Å; A631-V639 HydrophobicContact CB-CB 4.24Å; A631-V639 HydrophobicContact CB-CG1 4.25Å; A631-A640 HydrophobicContact CB-CB 3.94Å |
| 632 | L | 92.7 | Very high | 92.1 | Very high | 36 Ų | 36 | 56.6 Ų | 56.6 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 172.8 | -67.2 | -179.9 | 0 | 0 | 0 | 111.9 | F628 E629 L630 I634 G635 A640 H655 L656 A659 | F628-L632 HydrophobicContact CD1-CD1 4.01Å; F628-L632 HydrophobicContact CE1-CD1 3.4Å; F628-L632 HydrophobicContact CE1-CG 4.19Å; F628-L632 HydrophobicContact CE2-CD1 4.45Å; F628-L632 HydrophobicContact CE2-CG 4.48Å; F628-L632 HydrophobicContact CZ-CD1 3.64Å; F628-L632 HydrophobicContact CZ-CD2 4.24Å; F628-L632 HydrophobicContact CZ-CG 4.11Å; F628-L632 WeakPolarHBondContact O-CG 3.41Å; F628-L632 PolarHBondContact O-N 3.29Å; E629-L632 PolarHBondContact O-N 3.41Å; L630-L632 VanDerWaalsContact C-N 3.31Å; L630-L632 PolarHBondContact O-N 2.82Å; L632-I634 VanDerWaalsContact C-N 3.32Å; L632-I634 PolarHBondContact O-N 3.06Å; L632-G635 PolarHBondContact O-N 3.13Å; L632-G635 VanDerWaalsContact O-N 3.14Å; L632-A640 HydrophobicContact CD2-CB 3.89Å; L632-A640 HydrophobicContact CG-CB 4.36Å; L632-H655 HydrophobicContact CD1-CB 3.81Å; L632-L656 HydrophobicContact CD2-CB 4.38Å; L632-L656 HydrophobicContact CD2-CD1 3.69Å; L632-A659 HydrophobicContact CD2-CB 3.72Å |
| 633 | K | 90.6 | Very high | 92.1 | Very high | 135 Ų | 135 | 52.5 Ų | 52.5 | 59% | 0.587 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.1 | -38.5 | 178.5 | -76.7 | -179.9 | -174.8 | 175.3 | 0 | 113 | E609 E629 L630 G635 | E609-K633 IonicContact OE1-NZ 2.8Å; E609-K633 PolarHBondContact OE1-NZ 3.44Å; E629-K633 WeakPolarHBondContact O-CG 3.07Å; E629-K633 PolarHBondContact O-N 3.39Å; L630-K633 PolarHBondContact O-N 3.17Å; K633-G635 VanDerWaalsContact C-N 3.34Å |
| 634 | I | 90.1 | Very high | 92.2 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -81.3 | -18.1 | 180 | -58.2 | 155.5 | 0 | 0 | 0 | 111.4 | T614 L618 L630 L632 Q636 | T614-I634 WeakPolarHBondContact O-CD1 3.38Å; L618-I634 HydrophobicContact CB-CD1 4Å; L618-I634 HydrophobicContact CD2-CD1 3.93Å; L630-I634 VanDerWaalsContact O-CD1 3.31Å; L630-I634 WeakPolarHBondContact O-CD1 3.46Å; L630-I634 VanDerWaalsContact O-CG1 3.27Å; L630-I634 WeakPolarHBondContact O-CG1 3.34Å; L630-I634 PolarHBondContact O-N 3.33Å; L632-I634 VanDerWaalsContact C-N 3.32Å; L632-I634 PolarHBondContact O-N 3.06Å; I634-Q636 HydrophobicContact CG2-CG 4.1Å |
| 635 | G | 90.1 | Very high | 92.2 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 22.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A631 L632 K633 L637 K663 | A631-G635 PolarHBondContact O-N 3.41Å; L632-G635 PolarHBondContact O-N 3.13Å; L632-G635 VanDerWaalsContact O-N 3.14Å; K633-G635 VanDerWaalsContact C-N 3.34Å; G635-L637 VanDerWaalsContact C-N 3.34Å; G635-L637 PolarHBondContact O-N 3.36Å; G635-L637 VanDerWaalsContact O-N 3.16Å; G635-K663 PolarHBondContact O-NZ 2.92Å |
| 636 | Q | 91.5 | Very high | 92.1 | Very high | 80 Ų | 80 | 54.6 Ų | 54.6 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | trans | -84 | 77.4 | 171.1 | -74.8 | -170.9 | -2.8 | 0 | 0 | 110.2 | L618 A631 I634 D638 V639 A640 | L618-Q636 VanDerWaalsContact CD2-OE1 3.23Å; A631-Q636 PolarHBondContact O-N 3.14Å; I634-Q636 HydrophobicContact CG2-CG 4.1Å; Q636-D638 VanDerWaalsContact C-N 3.29Å; Q636-D638 PolarHBondContact O-N 3.36Å; Q636-V639 HydrophobicContact CB-CG2 4.37Å; Q636-V639 PolarHBondContact O-N 2.98Å; Q636-A640 PolarHBondContact O-N 3.42Å | ||
| 637 | L | 91.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -30.5 | -173.2 | -56.4 | -178.9 | 0 | 0 | 0 | 113.1 | G635 V639 A640 R641 L656 A659 A660 K663 D665 L668 | G635-L637 VanDerWaalsContact C-N 3.34Å; G635-L637 PolarHBondContact O-N 3.36Å; G635-L637 VanDerWaalsContact O-N 3.16Å; L637-V639 PolarHBondContact O-N 2.98Å; L637-A640 PolarHBondContact O-N 3.19Å; L637-R641 VanDerWaalsContact O-CB 3.26Å; L637-R641 WeakPolarHBondContact O-CB 3.42Å; L637-R641 PolarHBondContact O-N 3.05Å; L637-L656 HydrophobicContact CB-CD1 4.43Å; L637-L656 HydrophobicContact CD2-CD1 4Å; L637-A659 HydrophobicContact CD2-CB 3.9Å; L637-A660 HydrophobicContact CD1-CB 4.13Å; L637-K663 HydrophobicContact CD1-CB 4.21Å; L637-K663 HydrophobicContact CD1-CD 3.71Å; L637-K663 HydrophobicContact CG-CD 4.15Å; L637-D665 HydrophobicContact CD1-CB 4.3Å; L637-L668 HydrophobicContact CB-CD2 3.67Å; L637-L668 HydrophobicContact CD1-CD2 4.07Å; L637-L668 HydrophobicContact CG-CD2 4.44Å |
| 638 | D | 91.8 | Very high | 91.1 | Very high | 124 Ų | 124 | 59.9 Ų | 59.9 | 66% | 0.663 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 179.3 | -58.3 | -47.2 | 0 | 0 | 0 | 112.2 | Q636 R641 Q642 | Q636-D638 VanDerWaalsContact C-N 3.29Å; Q636-D638 PolarHBondContact O-N 3.36Å; D638-R641 PolarHBondContact O-N 2.69Å; D638-Q642 PolarHBondContact O-N 3.09Å |
| 639 | V | 91.4 | Very high | 90.8 | Very high | 37 Ų | 37 | 61.2 Ų | 61.2 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.7 | -44.4 | 177.9 | -179 | 0 | 0 | 0 | 0 | 110 | A631 Q636 L637 R641 Q642 I643 | A631-V639 HydrophobicContact CB-CB 4.24Å; A631-V639 HydrophobicContact CB-CG1 4.25Å; Q636-V639 HydrophobicContact CB-CG2 4.37Å; Q636-V639 PolarHBondContact O-N 2.98Å; L637-V639 PolarHBondContact O-N 2.98Å; V639-R641 VanDerWaalsContact C-N 3.31Å; V639-R641 PolarHBondContact O-N 3Å; V639-Q642 PolarHBondContact O-N 3.36Å; V639-I643 HydrophobicContact CG1-CD1 4.08Å; V639-I643 WeakPolarHBondContact O-CG1 3.47Å; V639-I643 PolarHBondContact O-N 3.15Å; V639-I643 VanDerWaalsContact O-N 3.08Å |
| 640 | A | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F628 A631 L632 Q636 L637 I643 A644 L656 | F628-A640 HydrophobicContact CD2-CB 3.98Å; F628-A640 WeakPolarHBondContact CD2-O 3.29Å; F628-A640 HydrophobicContact CE2-CB 3.87Å; F628-A640 WeakPolarHBondContact CE2-O 3.37Å; A631-A640 HydrophobicContact CB-CB 3.94Å; L632-A640 HydrophobicContact CD2-CB 3.89Å; L632-A640 HydrophobicContact CG-CB 4.36Å; Q636-A640 PolarHBondContact O-N 3.42Å; L637-A640 PolarHBondContact O-N 3.19Å; A640-I643 PolarHBondContact O-N 2.73Å; A640-A644 WeakPolarHBondContact O-CB 3.32Å; A640-A644 PolarHBondContact O-N 3.37Å; A640-L656 HydrophobicContact CB-CD1 3.7Å |
| 641 | R | 92.8 | Very high | 90.4 | Very high | 90 Ų | 90 | 65.7 Ų | 65.7 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 174.5 | -174.5 | -169.6 | -179.6 | -159.4 | -1.2 | 111.8 | L637 D638 V639 I643 A644 L645 W653 L656 L668 E671 | L637-R641 VanDerWaalsContact O-CB 3.26Å; L637-R641 WeakPolarHBondContact O-CB 3.42Å; L637-R641 PolarHBondContact O-N 3.05Å; D638-R641 PolarHBondContact O-N 2.69Å; V639-R641 VanDerWaalsContact C-N 3.31Å; V639-R641 PolarHBondContact O-N 3Å; R641-I643 VanDerWaalsContact C-N 3.35Å; R641-I643 PolarHBondContact O-N 3.09Å; R641-A644 PolarHBondContact O-N 3.3Å; R641-L645 HydrophobicContact CG-CD1 4.22Å; R641-L645 WeakPolarHBondContact O-CG 3.45Å; R641-L645 PolarHBondContact O-N 3.25Å; R641-W653 HydrophobicContact CG-CH2 4.23Å; R641-W653 HydrophobicContact CG-CZ3 4.28Å; R641-L656 HydrophobicContact CB-CD2 3.9Å; R641-L656 HydrophobicContact CG-CD2 4.39Å; R641-L668 HydrophobicContact CB-CD1 4.45Å; R641-L668 HydrophobicContact CG-CD1 3.99Å; R641-E671 IonicContact CZ-OE1 3.44Å; R641-E671 IonicContact CZ-OE2 3.29Å; R641-E671 VanDerWaalsContact CZ-OE2 3.29Å; R641-E671 IonicContact NE-OE1 3.14Å; R641-E671 PolarHBondContact NE-OE1 2.86Å; R641-E671 VanDerWaalsContact NE-OE1 3.14Å; R641-E671 IonicContact NE-OE2 3.36Å; R641-E671 PolarHBondContact NE-OE2 3.34Å; R641-E671 IonicContact NH2-OE1 2.87Å; R641-E671 PolarHBondContact NH2-OE1 3.3Å; R641-E671 IonicContact NH2-OE2 2.81Å; R641-E671 PolarHBondContact NH2-OE2 2.74Å |
| 642 | Q | 92.9 | Very high | 90.3 | Very high | 115 Ų | 115 | 66.9 Ų | 66.9 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 177.6 | -173.9 | 177.4 | -6.9 | 0 | 0 | 111.4 | D638 V639 A644 L645 E646 | D638-Q642 PolarHBondContact O-N 3.09Å; V639-Q642 PolarHBondContact O-N 3.36Å; Q642-A644 PolarHBondContact O-N 3.5Å; Q642-L645 WeakPolarHBondContact O-CB 3.47Å; Q642-L645 PolarHBondContact O-N 2.92Å; Q642-E646 PolarHBondContact NE2-OE1 3.15Å; Q642-E646 WeakPolarHBondContact O-CG 3.36Å; Q642-E646 PolarHBondContact O-N 3.13Å; Q642-E646 VanDerWaalsContact O-N 3.12Å |
| 643 | I | 90.8 | Very high | 90.3 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.051 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 178.2 | -62.2 | 165.4 | 0 | 0 | 0 | 111.4 | A624 R627 F628 V639 A640 R641 L645 E646 S647 | A624-I643 HydrophobicContact CB-CG2 4.23Å; R627-I643 HydrophobicContact CB-CD1 3.75Å; F628-I643 HydrophobicContact CB-CD1 4.41Å; F628-I643 HydrophobicContact CB-CG2 4.01Å; F628-I643 HydrophobicContact CD2-CB 4.31Å; F628-I643 HydrophobicContact CD2-CG2 4.33Å; V639-I643 HydrophobicContact CG1-CD1 4.08Å; V639-I643 WeakPolarHBondContact O-CG1 3.47Å; V639-I643 PolarHBondContact O-N 3.15Å; V639-I643 VanDerWaalsContact O-N 3.08Å; A640-I643 PolarHBondContact O-N 2.73Å; R641-I643 VanDerWaalsContact C-N 3.35Å; R641-I643 PolarHBondContact O-N 3.09Å; I643-L645 VanDerWaalsContact C-N 3.32Å; I643-L645 PolarHBondContact O-N 3.41Å; I643-E646 PolarHBondContact O-N 3.41Å; I643-S647 VanDerWaalsContact O-CB 3.31Å; I643-S647 WeakPolarHBondContact O-CB 3.41Å; I643-S647 PolarHBondContact O-N 3.33Å |
| 644 | A | 91.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F628 A640 R641 Q642 E648 K652 W653 L656 | F628-A644 HydrophobicContact CE2-CB 4.17Å; A640-A644 WeakPolarHBondContact O-CB 3.32Å; A640-A644 PolarHBondContact O-N 3.37Å; R641-A644 PolarHBondContact O-N 3.3Å; Q642-A644 PolarHBondContact O-N 3.5Å; A644-E648 PolarHBondContact O-N 3.04Å; A644-K652 HydrophobicContact CB-CB 4.27Å; A644-W653 HydrophobicContact CB-CD2 4.02Å; A644-W653 HydrophobicContact CB-CE3 4.21Å; A644-W653 HydrophobicContact CB-CH2 4.11Å; A644-W653 HydrophobicContact CB-CZ2 3.86Å; A644-W653 HydrophobicContact CB-CZ3 4.26Å; A644-W653 PolarHBondContact O-NE1 3.35Å; A644-L656 HydrophobicContact CB-CD2 4.45Å |
| 645 | L | 90.9 | Very high | 90.5 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 172.7 | -78.8 | 161.5 | 0 | 0 | 0 | 111.8 | R641 Q642 I643 S647 W653 | R641-L645 HydrophobicContact CG-CD1 4.22Å; R641-L645 WeakPolarHBondContact O-CG 3.45Å; R641-L645 PolarHBondContact O-N 3.25Å; Q642-L645 WeakPolarHBondContact O-CB 3.47Å; Q642-L645 PolarHBondContact O-N 2.92Å; I643-L645 VanDerWaalsContact C-N 3.32Å; I643-L645 PolarHBondContact O-N 3.41Å; L645-S647 VanDerWaalsContact C-N 3.33Å; L645-W653 HydrophobicContact CD2-CH2 4.02Å; L645-W653 HydrophobicContact CD2-CZ2 3.92Å; L645-W653 HydrophobicContact CG-CH2 3.81Å; L645-W653 HydrophobicContact CG-CZ2 3.89Å |
| 646 | E | 90.1 | Very high | 90.6 | Very high | 140 Ų | 140 | 66.2 Ų | 66.2 | 65% | 0.654 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.1 | -33.4 | 179.5 | -69.7 | 170.9 | -169.9 | 0 | 0 | 112.5 | Q642 I643 | Q642-E646 PolarHBondContact NE2-OE1 3.15Å; Q642-E646 WeakPolarHBondContact O-CG 3.36Å; Q642-E646 PolarHBondContact O-N 3.13Å; Q642-E646 VanDerWaalsContact O-N 3.12Å; I643-E646 PolarHBondContact O-N 3.41Å |
| 647 | S | 86.6 | Confident | 90.7 | Very high | 46 Ų | 46 | 63.7 Ų | 63.7 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -83.4 | -23.4 | -175.6 | 173.7 | 0 | 0 | 0 | 0 | 114.8 | I643 L645 A649 K652 | I643-S647 VanDerWaalsContact O-CB 3.31Å; I643-S647 WeakPolarHBondContact O-CB 3.41Å; I643-S647 PolarHBondContact O-N 3.33Å; L645-S647 VanDerWaalsContact C-N 3.33Å; S647-A649 PolarHBondContact O-N 3.17Å; S647-A649 WeakPolarHBondContact OG-CB 3.46Å; S647-K652 PolarHBondContact OG-NZ 2.99Å |
| 648 | E | 80.3 | Confident | 90.7 | Very high | 169 Ų | 169 | 66.2 Ų | 66.2 | 79% | 0.79 | 33% | 0.331 | S | S | * | . | trans | 48.3 | 15.5 | -170.8 | -60.8 | -163.7 | 153.7 | 0 | 0 | 116.3 | A644 | A644-E648 PolarHBondContact O-N 3.04Š| ||
| 649 | A | 87.6 | Confident | 90.7 | Very high | 35 Ų | 35 | 61.5 Ų | 61.5 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | trans | -82.2 | 122.4 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S647 E651 K652 W653 | S647-A649 PolarHBondContact O-N 3.17Å; S647-A649 WeakPolarHBondContact OG-CB 3.46Å; A649-E651 VanDerWaalsContact C-N 3.27Å; A649-E651 PolarHBondContact O-N 3.17Å; A649-K652 HydrophobicContact CB-CD 4.35Å; A649-K652 HydrophobicContact CB-CG 4.3Å; A649-K652 PolarHBondContact O-N 3.38Å; A649-W653 VanDerWaalsContact O-CD1 3.26Å | ||
| 650 | E | 89 | Confident | 90.7 | Very high | 71 Ų | 71 | 59.8 Ų | 59.8 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.4 | -34 | -177.8 | -64.1 | -176.1 | -179.2 | 0 | 0 | 113.2 | W653 R654 K677 | E650-W653 PolarHBondContact O-N 3.27Å; E650-R654 PolarHBondContact O-N 3.03Å; E650-R654 IonicContact OE2-NH2 2.68Å; E650-K677 WeakPolarHBondContact OE1-CD 3.41Å; E650-K677 VanDerWaalsContact OE1-CE 3.28Å; E650-K677 WeakPolarHBondContact OE1-CE 3.3Å; E650-K677 IonicContact OE1-NZ 3.96Å; E650-K677 PolarHBondContact OE1-NZ 2.85Å |
| 651 | E | 90.3 | Very high | 90.6 | Very high | 133 Ų | 133 | 62.7 Ų | 62.7 | 62% | 0.621 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.4 | -38.1 | 178.8 | -70.4 | -170.6 | 158.6 | 0 | 0 | 113 | A649 W653 R654 H655 | A649-E651 VanDerWaalsContact C-N 3.27Å; A649-E651 PolarHBondContact O-N 3.17Å; E651-W653 VanDerWaalsContact C-N 3.28Å; E651-W653 PolarHBondContact O-N 3.35Å; E651-R654 PolarHBondContact O-N 2.87Å; E651-R654 VanDerWaalsContact O-N 3.14Å; E651-H655 PolarHBondContact O-N 3.27Å; E651-H655 VanDerWaalsContact O-N 3.09Å; E651-H655 PolarHBondContact O-ND1 2.83Å |
| 652 | K | 91.5 | Very high | 90.4 | Very high | 25 Ų | 25 | 62.8 Ų | 62.8 | 11% | 0.109 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 176.4 | -70.1 | -176.2 | -178.7 | 169.3 | 0 | 110.8 | D625 F628 A644 S647 A649 R654 H655 L656 | D625-K652 WeakPolarHBondContact OD1-CE 3.32Å; D625-K652 IonicContact OD1-NZ 3.13Å; D625-K652 PolarHBondContact OD1-NZ 2.73Å; F628-K652 HydrophobicContact CD1-CD 4.34Å; F628-K652 HydrophobicContact CD1-CG 4.09Å; F628-K652 HydrophobicContact CE1-CB 3.9Å; F628-K652 HydrophobicContact CE1-CG 3.89Å; F628-K652 HydrophobicContact CE2-CB 4.13Å; F628-K652 HydrophobicContact CG-CD 4.35Å; F628-K652 HydrophobicContact CZ-CB 3.72Å; F628-K652 HydrophobicContact CZ-CG 4.2Å; F628-K652 WeakPolarHBondContact CZ-O 3.44Å; A644-K652 HydrophobicContact CB-CB 4.27Å; S647-K652 PolarHBondContact OG-NZ 2.99Å; A649-K652 HydrophobicContact CB-CD 4.35Å; A649-K652 HydrophobicContact CB-CG 4.3Å; A649-K652 PolarHBondContact O-N 3.38Å; K652-R654 VanDerWaalsContact C-N 3.32Å; K652-R654 PolarHBondContact O-N 3.03Å; K652-H655 PolarHBondContact O-N 3.45Å; K652-L656 WeakPolarHBondContact O-CB 3.4Å; K652-L656 PolarHBondContact O-N 2.83Å |
| 653 | W | 93.2 | Very high | 90.2 | Very high | 9 Ų | 9 | 64 Ų | 64 | 3% | 0.034 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -35.4 | 174.9 | -69.1 | 108.7 | 0 | 0 | 0 | 112.8 | R641 A644 L645 A649 E650 E651 L656 N657 C672 K675 A676 | R641-W653 HydrophobicContact CG-CH2 4.23Å; R641-W653 HydrophobicContact CG-CZ3 4.28Å; A644-W653 HydrophobicContact CB-CD2 4.02Å; A644-W653 HydrophobicContact CB-CE3 4.21Å; A644-W653 HydrophobicContact CB-CH2 4.11Å; A644-W653 HydrophobicContact CB-CZ2 3.86Å; A644-W653 HydrophobicContact CB-CZ3 4.26Å; A644-W653 PolarHBondContact O-NE1 3.35Å; L645-W653 HydrophobicContact CD2-CH2 4.02Å; L645-W653 HydrophobicContact CD2-CZ2 3.92Å; L645-W653 HydrophobicContact CG-CH2 3.81Å; L645-W653 HydrophobicContact CG-CZ2 3.89Å; A649-W653 VanDerWaalsContact O-CD1 3.26Å; E650-W653 PolarHBondContact O-N 3.27Å; E651-W653 VanDerWaalsContact C-N 3.28Å; E651-W653 PolarHBondContact O-N 3.35Å; W653-L656 HydrophobicContact CE3-CD2 4.06Å; W653-L656 HydrophobicContact CZ3-CD2 3.91Å; W653-N657 WeakPolarHBondContact O-CB 3.2Å; W653-N657 PolarHBondContact O-N 2.52Å; W653-C672 HydrophobicContact CE3-CB 4.06Å; W653-C672 WeakPolarHBondContact O-CB 3.34Å; W653-K675 HydrophobicContact CB-CB 4.26Å; W653-K675 HydrophobicContact CD2-CB 3.58Å; W653-K675 HydrophobicContact CD2-CG 4.17Å; W653-K675 HydrophobicContact CE3-CB 4.11Å; W653-K675 HydrophobicContact CE3-CG 4.41Å; W653-K675 HydrophobicContact CG-CB 3.64Å; W653-K675 HydrophobicContact CH2-CG 4.41Å; W653-K675 HydrophobicContact CZ2-CB 4.4Å; W653-K675 HydrophobicContact CZ2-CG 4.2Å; W653-A676 HydrophobicContact CB-CB 3.86Å |
| 654 | R | 91 | Very high | 90.2 | Very high | 110 Ų | 110 | 65.3 Ų | 65.3 | 42% | 0.415 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 173.9 | -65.5 | -172.3 | -169.5 | 110.5 | 14 | 112.2 | E650 E651 K652 N657 A658 A676 | E650-R654 PolarHBondContact O-N 3.03Å; E650-R654 IonicContact OE2-NH2 2.68Å; E651-R654 PolarHBondContact O-N 2.87Å; E651-R654 VanDerWaalsContact O-N 3.14Å; K652-R654 VanDerWaalsContact C-N 3.32Å; K652-R654 PolarHBondContact O-N 3.03Å; R654-N657 WeakPolarHBondContact O-CB 3.23Å; R654-N657 PolarHBondContact O-N 2.95Å; R654-A658 PolarHBondContact O-N 3.34Å; R654-A658 VanDerWaalsContact O-N 3.1Å; R654-A676 HydrophobicContact CG-CB 3.69Å; R654-A676 PolarHBondContact NH2-O 3.19Å |
| 655 | H | 92 | Very high | 90.1 | Very high | 108 Ų | 108 | 68.2 Ų | 68.2 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 176.7 | -67 | 119.5 | 0 | 0 | 0 | 112.2 | F628 L632 E651 K652 N657 A658 A659 | F628-H655 HydrophobicContact CE1-CB 4.03Å; F628-H655 HydrophobicContact CZ-CB 4.28Å; L632-H655 HydrophobicContact CD1-CB 3.81Å; E651-H655 PolarHBondContact O-N 3.27Å; E651-H655 VanDerWaalsContact O-N 3.09Å; E651-H655 PolarHBondContact O-ND1 2.83Å; K652-H655 PolarHBondContact O-N 3.45Å; H655-N657 VanDerWaalsContact C-N 3.33Å; H655-N657 PolarHBondContact O-N 3.11Å; H655-A658 PolarHBondContact O-N 3.44Å; H655-A659 PolarHBondContact O-N 2.93Å; H655-A659 VanDerWaalsContact O-N 3.14Å |
| 656 | L | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 175.6 | -176.1 | 59.5 | 0 | 0 | 0 | 111.8 | F628 L632 L637 A640 R641 A644 K652 W653 A658 A659 A660 C672 | F628-L656 HydrophobicContact CE2-CB 4.42Å; F628-L656 HydrophobicContact CZ-CB 4.2Å; L632-L656 HydrophobicContact CD2-CB 4.38Å; L632-L656 HydrophobicContact CD2-CD1 3.69Å; L637-L656 HydrophobicContact CB-CD1 4.43Å; L637-L656 HydrophobicContact CD2-CD1 4Å; A640-L656 HydrophobicContact CB-CD1 3.7Å; R641-L656 HydrophobicContact CB-CD2 3.9Å; R641-L656 HydrophobicContact CG-CD2 4.39Å; A644-L656 HydrophobicContact CB-CD2 4.45Å; K652-L656 WeakPolarHBondContact O-CB 3.4Å; K652-L656 PolarHBondContact O-N 2.83Å; W653-L656 HydrophobicContact CE3-CD2 4.06Å; W653-L656 HydrophobicContact CZ3-CD2 3.91Å; L656-A658 PolarHBondContact O-N 3.37Å; L656-A659 PolarHBondContact O-N 3.2Å; L656-A660 VanDerWaalsContact O-CB 3.29Å; L656-A660 WeakPolarHBondContact O-CB 3.41Å; L656-A660 PolarHBondContact O-N 3.32Å; L656-C672 VanDerWaalsContact CD2-SG 3.59Å; L656-C672 VanDerWaalsContact CG-SG 3.56Å |
| 657 | N | 92.7 | Very high | 89.9 | Confident | 26 Ų | 26 | 65.7 Ų | 65.7 | 14% | 0.139 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 174 | 175.4 | 49.8 | 0 | 0 | 0 | 111.9 | W653 R654 H655 A659 A660 T661 A669 C672 L673 | W653-N657 WeakPolarHBondContact O-CB 3.2Å; W653-N657 PolarHBondContact O-N 2.52Å; R654-N657 WeakPolarHBondContact O-CB 3.23Å; R654-N657 PolarHBondContact O-N 2.95Å; H655-N657 VanDerWaalsContact C-N 3.33Å; H655-N657 PolarHBondContact O-N 3.11Å; N657-A659 VanDerWaalsContact C-N 3.32Å; N657-A659 PolarHBondContact O-N 2.99Å; N657-A660 PolarHBondContact O-N 3.07Å; N657-T661 VanDerWaalsContact O-CB 3.31Å; N657-T661 WeakPolarHBondContact O-CB 3.26Å; N657-T661 PolarHBondContact O-N 3.32Å; N657-T661 PolarHBondContact O-OG1 2.88Å; N657-T661 PolarHBondContact OD1-OG1 2.71Å; N657-A669 WeakPolarHBondContact OD1-CA 3.31Å; N657-A669 WeakPolarHBondContact OD1-CB 3.3Å; N657-A669 PolarHBondContact OD1-O 3.07Å; N657-C672 HydrophobicContact CB-CB 3.65Å; N657-L673 HydrophobicContact CB-CG 4.46Å; N657-L673 VanDerWaalsContact ND2-CD2 3.29Å; N657-L673 WeakPolarHBondContact ND2-CD2 3.36Å |
| 658 | A | 91.3 | Very high | 90 | Very high | 61 Ų | 61 | 64 Ų | 64 | 50% | 0.504 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R654 H655 L656 A662 | R654-A658 PolarHBondContact O-N 3.34Å; R654-A658 VanDerWaalsContact O-N 3.1Å; H655-A658 PolarHBondContact O-N 3.44Å; L656-A658 PolarHBondContact O-N 3.37Å; A658-A662 WeakPolarHBondContact O-CB 3.43Å; A658-A662 PolarHBondContact O-N 3.05Å |
| 659 | A | 91.8 | Very high | 90.6 | Very high | 26 Ų | 26 | 55.9 Ų | 55.9 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | L632 L637 H655 L656 N657 A662 K663 | L632-A659 HydrophobicContact CD2-CB 3.72Å; L637-A659 HydrophobicContact CD2-CB 3.9Å; H655-A659 PolarHBondContact O-N 2.93Å; H655-A659 VanDerWaalsContact O-N 3.14Å; L656-A659 PolarHBondContact O-N 3.2Å; N657-A659 VanDerWaalsContact C-N 3.32Å; N657-A659 PolarHBondContact O-N 2.99Å; A659-A662 PolarHBondContact O-N 2.92Å; A659-K663 WeakPolarHBondContact O-CB 3.42Å; A659-K663 PolarHBondContact O-N 2.84Å |
| 660 | A | 92.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L637 L656 N657 K663 G664 D665 L668 A669 | L637-A660 HydrophobicContact CD1-CB 4.13Å; L656-A660 VanDerWaalsContact O-CB 3.29Å; L656-A660 WeakPolarHBondContact O-CB 3.41Å; L656-A660 PolarHBondContact O-N 3.32Å; N657-A660 PolarHBondContact O-N 3.07Å; A660-K663 CarbonylContact O-C 3.2Å; A660-K663 PolarHBondContact O-N 3.06Å; A660-G664 PolarHBondContact O-N 3.31Å; A660-D665 PolarHBondContact O-N 3.37Å; A660-L668 HydrophobicContact CB-CB 4.23Å; A660-L668 HydrophobicContact CB-CD2 4.16Å; A660-L668 HydrophobicContact CB-CG 4.14Å; A660-A669 HydrophobicContact CB-CB 4.23Å |
| 661 | T | 90.3 | Very high | 90.7 | Very high | 62 Ų | 62 | 54 Ų | 54 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 176.4 | -55.9 | 0 | 0 | 0 | 0 | 111 | N657 K663 G664 | N657-T661 VanDerWaalsContact O-CB 3.31Å; N657-T661 WeakPolarHBondContact O-CB 3.26Å; N657-T661 PolarHBondContact O-N 3.32Å; N657-T661 PolarHBondContact O-OG1 2.88Å; N657-T661 PolarHBondContact OD1-OG1 2.71Å; T661-K663 VanDerWaalsContact C-N 3.26Å; T661-K663 PolarHBondContact O-N 2.83Å; T661-G664 PolarHBondContact O-N 3.26Å; T661-G664 VanDerWaalsContact O-N 3.08Å |
| 662 | A | 89.5 | Confident | 90.8 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 76% | 0.76 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.1 | -33.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A658 A659 G664 | A658-A662 WeakPolarHBondContact O-CB 3.43Å; A658-A662 PolarHBondContact O-N 3.05Å; A659-A662 PolarHBondContact O-N 2.92Å; A662-G664 VanDerWaalsContact C-N 3.34Å |
| 663 | K | 88.3 | Confident | 90.7 | Very high | 140 Ų | 140 | 46.8 Ų | 46.8 | 61% | 0.609 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -83 | -8.8 | 176.9 | -153.2 | 178.8 | -177.6 | -174.8 | 0 | 113.5 | G635 L637 A659 A660 T661 | G635-K663 PolarHBondContact O-NZ 2.92Å; L637-K663 HydrophobicContact CD1-CB 4.21Å; L637-K663 HydrophobicContact CD1-CD 3.71Å; L637-K663 HydrophobicContact CG-CD 4.15Å; A659-K663 WeakPolarHBondContact O-CB 3.42Å; A659-K663 PolarHBondContact O-N 2.84Å; A660-K663 CarbonylContact O-C 3.2Å; A660-K663 PolarHBondContact O-N 3.06Å; T661-K663 VanDerWaalsContact C-N 3.26Å; T661-K663 PolarHBondContact O-N 2.83Å |
| 664 | G | 89.4 | Confident | 90.5 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 17.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A660 T661 A662 F666 | A660-G664 PolarHBondContact O-N 3.31Å; T661-G664 PolarHBondContact O-N 3.26Å; T661-G664 VanDerWaalsContact O-N 3.08Å; A662-G664 VanDerWaalsContact C-N 3.34Å; G664-F666 VanDerWaalsContact O-CD2 3.24Å; G664-F666 WeakPolarHBondContact O-CD2 3.39Å; G664-F666 WeakPolarHBondContact O-CE2 3.36Å; G664-F666 PolarHBondContact O-N 3.13Å |
| 665 | D | 89.9 | Confident | 90.5 | Very high | 61 Ų | 61 | 48.5 Ų | 48.5 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | trans | -88.8 | 81.3 | 174.1 | -169.8 | -13.8 | 0 | 0 | 0 | 110.8 | L637 A660 A667 L668 A669 | L637-D665 HydrophobicContact CD1-CB 4.3Å; A660-D665 PolarHBondContact O-N 3.37Å; D665-A667 VanDerWaalsContact C-N 3.31Å; D665-A667 PolarHBondContact O-N 3.4Å; D665-A667 PolarHBondContact OD1-N 3Å; D665-L668 HydrophobicContact CB-CB 4.32Å; D665-L668 PolarHBondContact O-N 2.96Å; D665-L668 PolarHBondContact OD1-N 2.95Å; D665-L668 VanDerWaalsContact OD1-N 3.13Å; D665-A669 WeakPolarHBondContact O-CB 3.29Å; D665-A669 PolarHBondContact O-N 2.76Å | ||
| 666 | F | 86.9 | Confident | 90.4 | Very high | 92 Ų | 92 | 43.3 Ų | 43.3 | 40% | 0.404 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.4 | -25.2 | -175.5 | -61.4 | -62.9 | 0 | 0 | 0 | 113.8 | G664 S670 H685 F689 | G664-F666 VanDerWaalsContact O-CD2 3.24Å; G664-F666 WeakPolarHBondContact O-CD2 3.39Å; G664-F666 WeakPolarHBondContact O-CE2 3.36Å; G664-F666 PolarHBondContact O-N 3.13Å; F666-S670 WeakPolarHBondContact O-CB 3.32Å; F666-S670 PolarHBondContact O-N 2.95Å; F666-S670 PolarHBondContact O-OG 2.87Å; F666-H685 WeakPolarHBondContact CB-NE2 3.35Å; F666-H685 AromaticContact CD1-NE2 3.41Å; F666-H685 WeakPolarHBondContact CD1-NE2 3.41Å; F666-H685 AromaticContact CG-NE2 3.84Å; F666-H685 PolarHBondContact O-CE1 3.11Å; F666-H685 PolarHBondContact O-NE2 3.35Å; F666-F689 HydrophobicContact CB-CE2 4.03Å; F666-F689 HydrophobicContact CB-CZ 3.78Å; F666-F689 AromaticContact CD1-CE2 3.79Å; F666-F689 HydrophobicContact CD1-CE2 3.79Å; F666-F689 AromaticContact CD1-CZ 3.47Å; F666-F689 HydrophobicContact CD1-CZ 3.47Å; F666-F689 VanDerWaalsContact CD1-CZ 3.47Å; F666-F689 HydrophobicContact CD2-CE1 4.08Å; F666-F689 AromaticContact CD2-CZ 3.57Å; F666-F689 HydrophobicContact CD2-CZ 3.57Å; F666-F689 HydrophobicContact CE1-CE2 4.38Å; F666-F689 AromaticContact CE1-CZ 3.86Å; F666-F689 HydrophobicContact CE1-CZ 3.86Å; F666-F689 HydrophobicContact CE2-CE1 4.45Å; F666-F689 AromaticContact CE2-CZ 3.95Å; F666-F689 HydrophobicContact CE2-CZ 3.95Å; F666-F689 HydrophobicContact CG-CE1 4.18Å; F666-F689 AromaticContact CG-CE2 3.87Å; F666-F689 HydrophobicContact CG-CE2 3.87Å; F666-F689 AromaticContact CG-CZ 3.3Å; F666-F689 HydrophobicContact CG-CZ 3.3Å; F666-F689 HydrophobicContact CZ-CZ 4.08Å |
| 667 | A | 89.1 | Confident | 90.2 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 62% | 0.62 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.8 | -48.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | D665 S670 E671 | D665-A667 VanDerWaalsContact C-N 3.31Å; D665-A667 PolarHBondContact O-N 3.4Å; D665-A667 PolarHBondContact OD1-N 3Å; A667-S670 PolarHBondContact O-N 3.18Å; A667-E671 PolarHBondContact O-N 3.35Å |
| 668 | L | 90.7 | Very high | 90.1 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 175.9 | -175.2 | 59.2 | 0 | 0 | 0 | 111.8 | L637 R641 A660 D665 S670 E671 C672 | L637-L668 HydrophobicContact CB-CD2 3.67Å; L637-L668 HydrophobicContact CD1-CD2 4.07Å; L637-L668 HydrophobicContact CG-CD2 4.44Å; R641-L668 HydrophobicContact CB-CD1 4.45Å; R641-L668 HydrophobicContact CG-CD1 3.99Å; A660-L668 HydrophobicContact CB-CB 4.23Å; A660-L668 HydrophobicContact CB-CD2 4.16Å; A660-L668 HydrophobicContact CB-CG 4.14Å; D665-L668 HydrophobicContact CB-CB 4.32Å; D665-L668 PolarHBondContact O-N 2.96Å; D665-L668 PolarHBondContact OD1-N 2.95Å; D665-L668 VanDerWaalsContact OD1-N 3.13Å; L668-S670 VanDerWaalsContact C-N 3.33Å; L668-S670 PolarHBondContact O-N 3.48Å; L668-E671 WeakPolarHBondContact O-CB 3.38Å; L668-E671 PolarHBondContact O-N 3.18Å; L668-C672 WeakPolarHBondContact O-CB 3.49Å; L668-C672 PolarHBondContact O-N 3.03Å; L668-C672 PolarHBondContact O-SG 3.18Å |
| 669 | A | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.9 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N657 A660 D665 E671 C672 L673 | N657-A669 WeakPolarHBondContact OD1-CA 3.31Å; N657-A669 WeakPolarHBondContact OD1-CB 3.3Å; N657-A669 PolarHBondContact OD1-O 3.07Å; A660-A669 HydrophobicContact CB-CB 4.23Å; D665-A669 WeakPolarHBondContact O-CB 3.29Å; D665-A669 PolarHBondContact O-N 2.76Å; A669-E671 PolarHBondContact O-N 3.19Å; A669-C672 PolarHBondContact O-N 3.13Å; A669-L673 WeakPolarHBondContact O-CG 3.14Å; A669-L673 PolarHBondContact O-N 2.95Å |
| 670 | S | 88.5 | Confident | 89.9 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 176.3 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | F666 A667 L668 L674 H685 | F666-S670 WeakPolarHBondContact O-CB 3.32Å; F666-S670 PolarHBondContact O-N 2.95Å; F666-S670 PolarHBondContact O-OG 2.87Å; A667-S670 PolarHBondContact O-N 3.18Å; L668-S670 VanDerWaalsContact C-N 3.33Å; L668-S670 PolarHBondContact O-N 3.48Å; S670-L674 WeakPolarHBondContact O-CB 3.3Å; S670-L674 PolarHBondContact O-N 2.93Å; S670-L674 VanDerWaalsContact O-N 3.12Å; S670-H685 PolarHBondContact OG-CE1 2.79Å; S670-H685 PolarHBondContact OG-ND1 3.29Å |
| 671 | E | 90.2 | Very high | 89.8 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 22% | 0.22 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 175.9 | -179.8 | -177 | 167.1 | 0 | 0 | 111.1 | R641 A667 L668 A669 L674 K675 | R641-E671 IonicContact CZ-OE1 3.44Å; R641-E671 IonicContact CZ-OE2 3.29Å; R641-E671 VanDerWaalsContact CZ-OE2 3.29Å; R641-E671 IonicContact NE-OE1 3.14Å; R641-E671 PolarHBondContact NE-OE1 2.86Å; R641-E671 VanDerWaalsContact NE-OE1 3.14Å; R641-E671 IonicContact NE-OE2 3.36Å; R641-E671 PolarHBondContact NE-OE2 3.34Å; R641-E671 IonicContact NH2-OE1 2.87Å; R641-E671 PolarHBondContact NH2-OE1 3.3Å; R641-E671 IonicContact NH2-OE2 2.81Å; R641-E671 PolarHBondContact NH2-OE2 2.74Å; A667-E671 PolarHBondContact O-N 3.35Å; L668-E671 WeakPolarHBondContact O-CB 3.38Å; L668-E671 PolarHBondContact O-N 3.18Å; A669-E671 PolarHBondContact O-N 3.19Å; E671-L674 WeakPolarHBondContact O-CB 3.27Å; E671-L674 PolarHBondContact O-N 2.8Å; E671-K675 WeakPolarHBondContact O-CG 3.46Å; E671-K675 PolarHBondContact O-N 3.03Å |
| 672 | C | 91.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | -179.3 | -67 | 0 | 0 | 0 | 0 | 111.8 | W653 L656 N657 L668 A669 L674 K675 A676 | W653-C672 HydrophobicContact CE3-CB 4.06Å; W653-C672 WeakPolarHBondContact O-CB 3.34Å; L656-C672 VanDerWaalsContact CD2-SG 3.59Å; L656-C672 VanDerWaalsContact CG-SG 3.56Å; N657-C672 HydrophobicContact CB-CB 3.65Å; L668-C672 WeakPolarHBondContact O-CB 3.49Å; L668-C672 PolarHBondContact O-N 3.03Å; L668-C672 PolarHBondContact O-SG 3.18Å; A669-C672 PolarHBondContact O-N 3.13Å; C672-L674 VanDerWaalsContact C-N 3.29Å; C672-L674 PolarHBondContact O-N 3.22Å; C672-K675 PolarHBondContact O-N 3.4Å; C672-A676 VanDerWaalsContact O-CB 3.31Å; C672-A676 WeakPolarHBondContact O-CB 3.36Å; C672-A676 PolarHBondContact O-N 2.83Å |
| 673 | L | 91.3 | Very high | 89.8 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -39.4 | 176.4 | -73.6 | 163 | 0 | 0 | 0 | 112.2 | N657 A669 A676 K677 D678 L682 H685 | N657-L673 HydrophobicContact CB-CG 4.46Å; N657-L673 VanDerWaalsContact ND2-CD2 3.29Å; N657-L673 WeakPolarHBondContact ND2-CD2 3.36Å; A669-L673 WeakPolarHBondContact O-CG 3.14Å; A669-L673 PolarHBondContact O-N 2.95Å; L673-A676 PolarHBondContact O-N 2.78Å; L673-K677 PolarHBondContact O-N 3.08Å; L673-K677 VanDerWaalsContact O-N 3.15Å; L673-D678 HydrophobicContact CD2-CB 3.83Å; L673-D678 PolarHBondContact O-N 3.08Å; L673-L682 HydrophobicContact CB-CD1 4.16Å; L673-L682 HydrophobicContact CB-CG 3.68Å; L673-H685 HydrophobicContact CD1-CB 4.46Å |
| 674 | L | 88.8 | Confident | 89.9 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.6 | -163 | 79.7 | 0 | 0 | 0 | 112 | S670 E671 C672 K677 L682 K701 | S670-L674 WeakPolarHBondContact O-CB 3.3Å; S670-L674 PolarHBondContact O-N 2.93Å; S670-L674 VanDerWaalsContact O-N 3.12Å; E671-L674 WeakPolarHBondContact O-CB 3.27Å; E671-L674 PolarHBondContact O-N 2.8Å; C672-L674 VanDerWaalsContact C-N 3.29Å; C672-L674 PolarHBondContact O-N 3.22Å; L674-K677 PolarHBondContact O-N 3.29Å; L674-L682 HydrophobicContact CB-CD1 3.98Å; L674-L682 HydrophobicContact CD1-CD1 3.62Å; L674-L682 HydrophobicContact CG-CD1 4.41Å; L674-K701 HydrophobicContact CD1-CD 3.6Å; L674-K701 VanDerWaalsContact CD1-NZ 3.28Å; L674-K701 VanDerWaalsContact CD2-NZ 3.32Å; L674-K701 HydrophobicContact CG-CD 4.43Å; L674-K701 VanDerWaalsContact CG-NZ 3.32Å |
| 675 | K | 89.7 | Confident | 89.8 | Confident | 104 Ų | 104 | 41.7 Ų | 41.7 | 45% | 0.452 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.6 | -34.3 | 178.1 | -69.2 | -71.8 | -174 | 168.6 | 0 | 112.1 | W653 E671 C672 K677 | W653-K675 HydrophobicContact CB-CB 4.26Å; W653-K675 HydrophobicContact CD2-CB 3.58Å; W653-K675 HydrophobicContact CD2-CG 4.17Å; W653-K675 HydrophobicContact CE3-CB 4.11Å; W653-K675 HydrophobicContact CE3-CG 4.41Å; W653-K675 HydrophobicContact CG-CB 3.64Å; W653-K675 HydrophobicContact CH2-CG 4.41Å; W653-K675 HydrophobicContact CZ2-CB 4.4Å; W653-K675 HydrophobicContact CZ2-CG 4.2Å; E671-K675 WeakPolarHBondContact O-CG 3.46Å; E671-K675 PolarHBondContact O-N 3.03Å; C672-K675 PolarHBondContact O-N 3.4Å; K675-K677 PolarHBondContact O-N 3.09Å |
| 676 | A | 90.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -2.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | W653 R654 C672 L673 D678 | W653-A676 HydrophobicContact CB-CB 3.86Å; R654-A676 HydrophobicContact CG-CB 3.69Å; R654-A676 PolarHBondContact NH2-O 3.19Å; C672-A676 VanDerWaalsContact O-CB 3.31Å; C672-A676 WeakPolarHBondContact O-CB 3.36Å; C672-A676 PolarHBondContact O-N 2.83Å; L673-A676 PolarHBondContact O-N 2.78Å; A676-D678 PolarHBondContact O-N 2.67Å |
| 677 | K | 89.8 | Confident | 89.8 | Confident | 112 Ų | 112 | 36.7 Ų | 36.7 | 49% | 0.487 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 29.7 | -173.3 | -57.5 | 175 | -172.2 | 149.9 | 0 | 113.3 | E650 L673 L674 K675 Y679 | E650-K677 WeakPolarHBondContact OE1-CD 3.41Å; E650-K677 VanDerWaalsContact OE1-CE 3.28Å; E650-K677 WeakPolarHBondContact OE1-CE 3.3Å; E650-K677 IonicContact OE1-NZ 3.96Å; E650-K677 PolarHBondContact OE1-NZ 2.85Å; L673-K677 PolarHBondContact O-N 3.08Å; L673-K677 VanDerWaalsContact O-N 3.15Å; L674-K677 PolarHBondContact O-N 3.29Å; K675-K677 PolarHBondContact O-N 3.09Å; K677-Y679 HydrophobicContact CB-CE2 4.27Å; K677-Y679 PolarHBondContact O-N 3.16Å |
| 678 | D | 90.4 | Very high | 89.7 | Confident | 59 Ų | 59 | 37 Ų | 37 | 32% | 0.316 | 21% | 0.21 | S | C | . | . | trans | -90.3 | 82 | 175.9 | -174.5 | -2.6 | 0 | 0 | 0 | 109.7 | L673 A676 G680 G681 L682 | L673-D678 HydrophobicContact CD2-CB 3.83Å; L673-D678 PolarHBondContact O-N 3.08Å; A676-D678 PolarHBondContact O-N 2.67Å; D678-G680 PolarHBondContact O-N 2.72Å; D678-G680 PolarHBondContact OD1-N 3.01Å; D678-G681 PolarHBondContact OD1-N 3.01Å; D678-L682 PolarHBondContact O-N 2.74Å; D678-L682 VanDerWaalsContact O-N 3.11Å | ||
| 679 | Y | 89.8 | Confident | 89.4 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.7 | -22.5 | 179.7 | -52 | -60.9 | 0 | 0 | 0 | 112.7 | K677 L682 L683 K701 A702 A705 | K677-Y679 HydrophobicContact CB-CE2 4.27Å; K677-Y679 PolarHBondContact O-N 3.16Å; Y679-L682 HydrophobicContact CD1-CD1 4.39Å; Y679-L683 WeakPolarHBondContact O-CB 3.41Å; Y679-L683 PolarHBondContact O-N 3.12Å; Y679-K701 HydrophobicContact CD1-CB 4.11Å; Y679-K701 HydrophobicContact CE1-CB 3.57Å; Y679-K701 HydrophobicContact CE1-CD 4.28Å; Y679-A702 HydrophobicContact CG-CB 4.36Å; Y679-A705 HydrophobicContact CD2-CB 4.18Å; Y679-A705 HydrophobicContact CE2-CB 3.44Å; Y679-A705 VanDerWaalsContact CE2-CB 3.44Å |
| 680 | G | 89 | Confident | 89.1 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 32% | 0.32 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.4 | -48.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D678 L682 L683 L684 | D678-G680 PolarHBondContact O-N 2.72Å; D678-G680 PolarHBondContact OD1-N 3.01Å; G680-L682 VanDerWaalsContact C-N 3.35Å; G680-L682 PolarHBondContact O-N 3.18Å; G680-L683 WeakPolarHBondContact O-CB 3.34Å; G680-L683 PolarHBondContact O-N 2.9Å; G680-L684 PolarHBondContact O-N 3.37Å |
| 681 | G | 89.5 | Confident | 88.9 | Confident | 19 Ų | 19 | 45.6 Ų | 45.6 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | D678 L683 L684 H685 | D678-G681 PolarHBondContact OD1-N 3.01Å; G681-L683 VanDerWaalsContact C-N 3.35Å; G681-L683 PolarHBondContact O-N 3.48Å; G681-L684 WeakPolarHBondContact O-CB 3.1Å; G681-L684 PolarHBondContact O-N 3.35Å; G681-H685 WeakPolarHBondContact O-CB 3.4Å; G681-H685 PolarHBondContact O-N 3.43Å |
| 682 | L | 89.7 | Confident | 88.8 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 174 | -99.5 | 159.8 | 0 | 0 | 0 | 112.9 | L673 L674 D678 Y679 G680 H685 A686 L694 V698 | L673-L682 HydrophobicContact CB-CD1 4.16Å; L673-L682 HydrophobicContact CB-CG 3.68Å; L674-L682 HydrophobicContact CB-CD1 3.98Å; L674-L682 HydrophobicContact CD1-CD1 3.62Å; L674-L682 HydrophobicContact CG-CD1 4.41Å; D678-L682 PolarHBondContact O-N 2.74Å; D678-L682 VanDerWaalsContact O-N 3.11Å; Y679-L682 HydrophobicContact CD1-CD1 4.39Å; G680-L682 VanDerWaalsContact C-N 3.35Å; G680-L682 PolarHBondContact O-N 3.18Å; L682-H685 PolarHBondContact O-N 3.25Å; L682-A686 VanDerWaalsContact O-CB 3.28Å; L682-A686 WeakPolarHBondContact O-CB 3.36Å; L682-A686 PolarHBondContact O-N 3.41Å; L682-L694 HydrophobicContact CD2-CD2 3.93Å; L682-L694 HydrophobicContact CD2-CG 4.22Å; L682-V698 HydrophobicContact CB-CG2 3.7Å; L682-V698 HydrophobicContact CD2-CG2 4.43Å; L682-V698 HydrophobicContact CG-CG2 4.48Å |
| 683 | L | 90 | Very high | 88.6 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 175.9 | 177 | 56.9 | 0 | 0 | 0 | 111 | Y679 G680 G681 H685 A686 S687 L695 V698 I710 L713 A714 L717 | Y679-L683 WeakPolarHBondContact O-CB 3.41Å; Y679-L683 PolarHBondContact O-N 3.12Å; G680-L683 WeakPolarHBondContact O-CB 3.34Å; G680-L683 PolarHBondContact O-N 2.9Å; G681-L683 VanDerWaalsContact C-N 3.35Å; G681-L683 PolarHBondContact O-N 3.48Å; L683-H685 VanDerWaalsContact C-N 3.31Å; L683-H685 PolarHBondContact O-N 2.99Å; L683-A686 PolarHBondContact O-N 3.21Å; L683-S687 VanDerWaalsContact O-CB 3.28Å; L683-S687 WeakPolarHBondContact O-CB 3.46Å; L683-S687 PolarHBondContact O-N 2.93Å; L683-S687 PolarHBondContact O-OG 3.4Å; L683-L695 HydrophobicContact CD1-CD2 3.77Å; L683-V698 HydrophobicContact CB-CG1 4.27Å; L683-I710 HydrophobicContact CB-CG2 4.3Å; L683-I710 HydrophobicContact CD2-CG2 3.97Å; L683-L713 HydrophobicContact CD2-CB 3.96Å; L683-L713 HydrophobicContact CD2-CD2 3.8Å; L683-L713 HydrophobicContact CD2-CG 4.18Å; L683-A714 HydrophobicContact CD1-CB 3.67Å; L683-L717 HydrophobicContact CD1-CD1 4Å |
| 684 | L | 90.3 | Very high | 88.3 | Confident | 124 Ų | 124 | 55.9 Ų | 55.9 | 65% | 0.649 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.1 | -47.8 | 175.5 | -174.2 | 68.4 | 0 | 0 | 0 | 110.4 | G680 G681 S687 A688 | G680-L684 PolarHBondContact O-N 3.37Å; G681-L684 WeakPolarHBondContact O-CB 3.1Å; G681-L684 PolarHBondContact O-N 3.35Å; L684-S687 PolarHBondContact O-N 2.89Å; L684-S687 PolarHBondContact O-OG 3.23Å; L684-A688 WeakPolarHBondContact O-CB 3.44Å; L684-A688 PolarHBondContact O-N 2.88Å |
| 685 | H | 87.9 | Confident | 88.3 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 10% | 0.102 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -51.3 | 177 | -157.3 | -95.7 | 0 | 0 | 0 | 111.6 | F666 S670 L673 G681 L682 L683 S687 A688 F689 | F666-H685 WeakPolarHBondContact CB-NE2 3.35Å; F666-H685 AromaticContact CD1-NE2 3.41Å; F666-H685 WeakPolarHBondContact CD1-NE2 3.41Å; F666-H685 AromaticContact CG-NE2 3.84Å; F666-H685 PolarHBondContact O-CE1 3.11Å; F666-H685 PolarHBondContact O-NE2 3.35Å; S670-H685 PolarHBondContact OG-CE1 2.79Å; S670-H685 PolarHBondContact OG-ND1 3.29Å; L673-H685 HydrophobicContact CD1-CB 4.46Å; G681-H685 WeakPolarHBondContact O-CB 3.4Å; G681-H685 PolarHBondContact O-N 3.43Å; L682-H685 PolarHBondContact O-N 3.25Å; L683-H685 VanDerWaalsContact C-N 3.31Å; L683-H685 PolarHBondContact O-N 2.99Å; H685-S687 VanDerWaalsContact C-N 3.3Å; H685-S687 PolarHBondContact O-N 2.81Å; H685-A688 PolarHBondContact O-N 3.45Å; H685-F689 AromaticContact CD2-CE2 3.67Å; H685-F689 AromaticContact CE1-CD2 3.51Å; H685-F689 AromaticContact CE1-CE2 3.29Å; H685-F689 WeakPolarHBondContact CE1-CE2 3.48Å; H685-F689 AromaticContact CG-CD2 4Å; H685-F689 AromaticContact CG-CE2 3.94Å; H685-F689 AromaticContact ND1-CD2 3.57Å; H685-F689 AromaticContact ND1-CE2 3.73Å; H685-F689 AromaticContact NE2-CD2 3.93Å; H685-F689 AromaticContact NE2-CE2 3.26Å; H685-F689 VanDerWaalsContact NE2-CE2 3.26Å; H685-F689 WeakPolarHBondContact NE2-CE2 3.31Å; H685-F689 WeakPolarHBondContact O-CD2 3.43Å; H685-F689 PolarHBondContact O-N 3.36Å; H685-F689 VanDerWaalsContact O-N 3.1Å |
| 686 | A | 87.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -42 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L682 L683 G690 S691 L694 L695 | L682-A686 VanDerWaalsContact O-CB 3.28Å; L682-A686 WeakPolarHBondContact O-CB 3.36Å; L682-A686 PolarHBondContact O-N 3.41Å; L683-A686 PolarHBondContact O-N 3.21Å; A686-G690 PolarHBondContact O-N 3Å; A686-S691 PolarHBondContact O-N 3.2Å; A686-S691 VanDerWaalsContact O-N 3.11Å; A686-L694 HydrophobicContact CB-CB 3.87Å; A686-L694 HydrophobicContact CB-CD2 3.86Å; A686-L694 HydrophobicContact CB-CG 4.29Å; A686-L695 HydrophobicContact CB-CD2 3.77Å; A686-L695 HydrophobicContact CB-CG 3.86Å |
| 687 | S | 89.1 | Confident | 88.1 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 179.1 | 73.5 | 0 | 0 | 0 | 0 | 112.3 | L683 L684 H685 F689 G690 | L683-S687 VanDerWaalsContact O-CB 3.28Å; L683-S687 WeakPolarHBondContact O-CB 3.46Å; L683-S687 PolarHBondContact O-N 2.93Å; L683-S687 PolarHBondContact O-OG 3.4Å; L684-S687 PolarHBondContact O-N 2.89Å; L684-S687 PolarHBondContact O-OG 3.23Å; H685-S687 VanDerWaalsContact C-N 3.3Å; H685-S687 PolarHBondContact O-N 2.81Å; S687-F689 PolarHBondContact O-N 3.05Å; S687-G690 PolarHBondContact O-N 3.42Å |
| 688 | A | 87.8 | Confident | 88 | Confident | 80 Ų | 80 | 49.2 Ų | 49.2 | 66% | 0.661 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.9 | -37.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L684 H685 | L684-A688 WeakPolarHBondContact O-CB 3.44Å; L684-A688 PolarHBondContact O-N 2.88Å; H685-A688 PolarHBondContact O-N 3.45Å |
| 689 | F | 83.9 | Confident | 87.9 | Confident | 107 Ų | 107 | 47 Ų | 47 | 47% | 0.469 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -87.4 | -7.4 | 178 | -70 | -71.9 | 0 | 0 | 0 | 114.2 | F666 H685 S687 S691 | F666-F689 HydrophobicContact CB-CE2 4.03Å; F666-F689 HydrophobicContact CB-CZ 3.78Å; F666-F689 AromaticContact CD1-CE2 3.79Å; F666-F689 HydrophobicContact CD1-CE2 3.79Å; F666-F689 AromaticContact CD1-CZ 3.47Å; F666-F689 HydrophobicContact CD1-CZ 3.47Å; F666-F689 VanDerWaalsContact CD1-CZ 3.47Å; F666-F689 HydrophobicContact CD2-CE1 4.08Å; F666-F689 AromaticContact CD2-CZ 3.57Å; F666-F689 HydrophobicContact CD2-CZ 3.57Å; F666-F689 HydrophobicContact CE1-CE2 4.38Å; F666-F689 AromaticContact CE1-CZ 3.86Å; F666-F689 HydrophobicContact CE1-CZ 3.86Å; F666-F689 HydrophobicContact CE2-CE1 4.45Å; F666-F689 AromaticContact CE2-CZ 3.95Å; F666-F689 HydrophobicContact CE2-CZ 3.95Å; F666-F689 HydrophobicContact CG-CE1 4.18Å; F666-F689 AromaticContact CG-CE2 3.87Å; F666-F689 HydrophobicContact CG-CE2 3.87Å; F666-F689 AromaticContact CG-CZ 3.3Å; F666-F689 HydrophobicContact CG-CZ 3.3Å; F666-F689 HydrophobicContact CZ-CZ 4.08Å; H685-F689 AromaticContact CD2-CE2 3.67Å; H685-F689 AromaticContact CE1-CD2 3.51Å; H685-F689 AromaticContact CE1-CE2 3.29Å; H685-F689 WeakPolarHBondContact CE1-CE2 3.48Å; H685-F689 AromaticContact CG-CD2 4Å; H685-F689 AromaticContact CG-CE2 3.94Å; H685-F689 AromaticContact ND1-CD2 3.57Å; H685-F689 AromaticContact ND1-CE2 3.73Å; H685-F689 AromaticContact NE2-CD2 3.93Å; H685-F689 AromaticContact NE2-CE2 3.26Å; H685-F689 VanDerWaalsContact NE2-CE2 3.26Å; H685-F689 WeakPolarHBondContact NE2-CE2 3.31Å; H685-F689 WeakPolarHBondContact O-CD2 3.43Å; H685-F689 PolarHBondContact O-N 3.36Å; H685-F689 VanDerWaalsContact O-N 3.1Å; S687-F689 PolarHBondContact O-N 3.05Å; F689-S691 PolarHBondContact O-N 3.22Å |
| 690 | G | 84.1 | Confident | 87.8 | Confident | 63 Ų | 63 | 49.4 Ų | 49.4 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 29.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A686 S687 L692 | A686-G690 PolarHBondContact O-N 3Å; S687-G690 PolarHBondContact O-N 3.42Å; G690-L692 PolarHBondContact O-N 3.28Å |
| 691 | S | 86.1 | Confident | 87.8 | Confident | 40 Ų | 40 | 51.2 Ų | 51.2 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | trans | -84.8 | 106.2 | -175.5 | -179.1 | 0 | 0 | 0 | 0 | 111 | A686 F689 D693 L694 L695 | A686-S691 PolarHBondContact O-N 3.2Å; A686-S691 VanDerWaalsContact O-N 3.11Å; F689-S691 PolarHBondContact O-N 3.22Å; S691-D693 VanDerWaalsContact C-N 3.3Å; S691-D693 PolarHBondContact O-N 3.26Å; S691-L694 PolarHBondContact O-N 3.42Å; S691-L694 PolarHBondContact OG-N 3.2Å; S691-L695 WeakPolarHBondContact O-CG 3.29Å; S691-L695 PolarHBondContact O-N 2.95Å | ||
| 692 | L | 86.5 | Confident | 87.6 | Confident | 94 Ų | 94 | 50.3 Ų | 50.3 | 49% | 0.492 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 177.9 | -163.9 | 72 | 0 | 0 | 0 | 112.1 | G690 L695 N696 A718 | G690-L692 PolarHBondContact O-N 3.28Å; L692-L695 PolarHBondContact O-N 3.48Å; L692-N696 WeakPolarHBondContact O-CB 3.41Å; L692-N696 VanDerWaalsContact O-CG 3.28Å; L692-N696 PolarHBondContact O-N 3.11Å; L692-N696 PolarHBondContact O-ND2 3.45Å; L692-A718 HydrophobicContact CD1-CB 3.78Å |
| 693 | D | 87.3 | Confident | 87.3 | Confident | 134 Ų | 134 | 52.5 Ų | 52.5 | 72% | 0.717 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.7 | -43.3 | 178 | -65.7 | -30.6 | 0 | 0 | 0 | 111.7 | S691 N696 S697 | S691-D693 VanDerWaalsContact C-N 3.3Å; S691-D693 PolarHBondContact O-N 3.26Å; D693-N696 PolarHBondContact O-N 3.24Å; D693-S697 PolarHBondContact O-N 2.96Å |
| 694 | L | 85.3 | Confident | 87.1 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 23% | 0.225 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67 | -41.4 | 176.7 | -141.2 | 84 | 0 | 0 | 0 | 110.6 | L682 A686 S691 N696 S697 V698 | L682-L694 HydrophobicContact CD2-CD2 3.93Å; L682-L694 HydrophobicContact CD2-CG 4.22Å; A686-L694 HydrophobicContact CB-CB 3.87Å; A686-L694 HydrophobicContact CB-CD2 3.86Å; A686-L694 HydrophobicContact CB-CG 4.29Å; S691-L694 PolarHBondContact O-N 3.42Å; S691-L694 PolarHBondContact OG-N 3.2Å; L694-N696 PolarHBondContact O-N 3.44Å; L694-S697 WeakPolarHBondContact O-CB 3.42Å; L694-S697 PolarHBondContact O-N 3.07Å; L694-V698 WeakPolarHBondContact O-CG2 3.45Å; L694-V698 PolarHBondContact O-N 2.93Å |
| 695 | L | 88.6 | Confident | 86.8 | Confident | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -47 | 174.2 | -76.8 | 170.3 | 0 | 0 | 0 | 111.5 | L683 A686 S691 L692 S697 V698 I699 A714 L717 A718 | L683-L695 HydrophobicContact CD1-CD2 3.77Å; A686-L695 HydrophobicContact CB-CD2 3.77Å; A686-L695 HydrophobicContact CB-CG 3.86Å; S691-L695 WeakPolarHBondContact O-CG 3.29Å; S691-L695 PolarHBondContact O-N 2.95Å; L692-L695 PolarHBondContact O-N 3.48Å; L695-S697 VanDerWaalsContact C-N 3.33Å; L695-S697 PolarHBondContact O-N 3.03Å; L695-V698 WeakPolarHBondContact O-CB 3.26Å; L695-V698 PolarHBondContact O-N 3.4Å; L695-V698 VanDerWaalsContact O-N 3.16Å; L695-I699 WeakPolarHBondContact O-CD1 3.4Å; L695-I699 WeakPolarHBondContact O-CG1 3.37Å; L695-I699 PolarHBondContact O-N 3.31Å; L695-A714 HydrophobicContact CD2-CB 4.2Å; L695-L717 HydrophobicContact CD1-CB 4.12Å; L695-L717 HydrophobicContact CD2-CB 4.12Å; L695-A718 HydrophobicContact CB-CB 4.4Å; L695-A718 HydrophobicContact CD1-CB 4.3Å |
| 696 | N | 89.1 | Confident | 86.6 | Confident | 74 Ų | 74 | 63.6 Ų | 63.6 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 177.1 | -74.3 | -32.3 | 0 | 0 | 0 | 112.4 | L692 D693 L694 I699 D700 | L692-N696 WeakPolarHBondContact O-CB 3.41Å; L692-N696 VanDerWaalsContact O-CG 3.28Å; L692-N696 PolarHBondContact O-N 3.11Å; L692-N696 PolarHBondContact O-ND2 3.45Å; D693-N696 PolarHBondContact O-N 3.24Å; L694-N696 PolarHBondContact O-N 3.44Å; N696-I699 PolarHBondContact O-N 3.48Å; N696-D700 PolarHBondContact O-N 3.42Å; N696-D700 VanDerWaalsContact O-N 3.08Å |
| 697 | S | 88.1 | Confident | 86.4 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 31% | 0.308 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 173.6 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | D693 L694 L695 D700 K701 | D693-S697 PolarHBondContact O-N 2.96Å; L694-S697 WeakPolarHBondContact O-CB 3.42Å; L694-S697 PolarHBondContact O-N 3.07Å; L695-S697 VanDerWaalsContact C-N 3.33Å; L695-S697 PolarHBondContact O-N 3.03Å; S697-D700 PolarHBondContact O-N 2.9Å; S697-K701 WeakPolarHBondContact O-CB 3.24Å; S697-K701 WeakPolarHBondContact O-CG 3.38Å; S697-K701 PolarHBondContact O-N 3.31Å |
| 698 | V | 88.6 | Confident | 86 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L682 L683 L694 L695 D700 K701 A702 I710 A714 | L682-V698 HydrophobicContact CB-CG2 3.7Å; L682-V698 HydrophobicContact CD2-CG2 4.43Å; L682-V698 HydrophobicContact CG-CG2 4.48Å; L683-V698 HydrophobicContact CB-CG1 4.27Å; L694-V698 WeakPolarHBondContact O-CG2 3.45Å; L694-V698 PolarHBondContact O-N 2.93Å; L695-V698 WeakPolarHBondContact O-CB 3.26Å; L695-V698 PolarHBondContact O-N 3.4Å; L695-V698 VanDerWaalsContact O-N 3.16Å; V698-D700 PolarHBondContact O-N 3.05Å; V698-K701 PolarHBondContact O-N 3.46Å; V698-A702 WeakPolarHBondContact O-CA 3.38Å; V698-A702 WeakPolarHBondContact O-CB 3.32Å; V698-A702 PolarHBondContact O-N 2.97Å; V698-I710 HydrophobicContact CG1-CG2 3.93Å; V698-A714 HydrophobicContact CB-CB 4.47Å; V698-A714 HydrophobicContact CG1-CB 4.01Å |
| 699 | I | 86.9 | Confident | 85.9 | Confident | 11 Ų | 11 | 71.6 Ų | 71.6 | 6% | 0.056 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.7 | -52.6 | 178 | -68.1 | 161.1 | 0 | 0 | 0 | 110.6 | L695 N696 T703 A714 R715 A718 | L695-I699 WeakPolarHBondContact O-CD1 3.4Å; L695-I699 WeakPolarHBondContact O-CG1 3.37Å; L695-I699 PolarHBondContact O-N 3.31Å; N696-I699 PolarHBondContact O-N 3.48Å; I699-T703 VanDerWaalsContact O-CB 3.22Å; I699-T703 WeakPolarHBondContact O-CB 3.37Å; I699-T703 PolarHBondContact O-N 3.11Å; I699-T703 PolarHBondContact O-OG1 3.14Å; I699-A714 HydrophobicContact CD1-CB 4.24Å; I699-A714 HydrophobicContact CG1-CB 3.49Å; I699-A714 VanDerWaalsContact CG1-CB 3.49Å; I699-R715 HydrophobicContact CB-CG 4.43Å; I699-R715 HydrophobicContact CD1-CB 4.21Å; I699-R715 HydrophobicContact CD1-CG 3.51Å; I699-R715 HydrophobicContact CG1-CG 3.73Å; I699-R715 HydrophobicContact CG2-CG 3.79Å; I699-R715 VanDerWaalsContact CG2-NE 3.29Å; I699-A718 HydrophobicContact CD1-CB 4.26Å |
| 700 | D | 88 | Confident | 86 | Confident | 80 Ų | 80 | 68.4 Ų | 68.4 | 43% | 0.428 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.3 | -48.4 | -178.2 | -177.7 | 47.3 | 0 | 0 | 0 | 111.4 | N696 S697 V698 K704 | N696-D700 PolarHBondContact O-N 3.42Å; N696-D700 VanDerWaalsContact O-N 3.08Å; S697-D700 PolarHBondContact O-N 2.9Å; V698-D700 PolarHBondContact O-N 3.05Å; D700-K704 VanDerWaalsContact CG-NZ 3.25Å; D700-K704 WeakPolarHBondContact O-CB 3.47Å; D700-K704 VanDerWaalsContact O-CG 3.31Å; D700-K704 WeakPolarHBondContact O-CG 3.47Å; D700-K704 PolarHBondContact O-N 3.21Å; D700-K704 WeakPolarHBondContact OD1-CE 3.14Å; D700-K704 IonicContact OD1-NZ 3.94Å; D700-K704 PolarHBondContact OD1-NZ 3.06Å; D700-K704 IonicContact OD2-NZ 3.06Å; D700-K704 PolarHBondContact OD2-NZ 3.03Å |
| 701 | K | 88.7 | Confident | 86 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 30% | 0.3 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.3 | -42.6 | -177.4 | -66.7 | -170.2 | -179.5 | -161.2 | 0 | 113.3 | L674 Y679 S697 V698 K704 A705 | L674-K701 HydrophobicContact CD1-CD 3.6Å; L674-K701 VanDerWaalsContact CD1-NZ 3.28Å; L674-K701 VanDerWaalsContact CD2-NZ 3.32Å; L674-K701 HydrophobicContact CG-CD 4.43Å; L674-K701 VanDerWaalsContact CG-NZ 3.32Å; Y679-K701 HydrophobicContact CD1-CB 4.11Å; Y679-K701 HydrophobicContact CE1-CB 3.57Å; Y679-K701 HydrophobicContact CE1-CD 4.28Å; S697-K701 WeakPolarHBondContact O-CB 3.24Å; S697-K701 WeakPolarHBondContact O-CG 3.38Å; S697-K701 PolarHBondContact O-N 3.31Å; V698-K701 PolarHBondContact O-N 3.46Å; K701-K704 PolarHBondContact O-N 3.03Å; K701-A705 WeakPolarHBondContact O-CB 3.49Å; K701-A705 PolarHBondContact O-N 3.38Å |
| 702 | A | 86.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y679 V698 A705 R706 Q707 I710 | Y679-A702 HydrophobicContact CG-CB 4.36Å; V698-A702 WeakPolarHBondContact O-CA 3.38Å; V698-A702 WeakPolarHBondContact O-CB 3.32Å; V698-A702 PolarHBondContact O-N 2.97Å; A702-A705 CarbonylContact O-C 3.56Å; A702-A705 PolarHBondContact O-N 3.46Å; A702-R706 PolarHBondContact O-N 2.91Å; A702-R706 VanDerWaalsContact O-N 3.08Å; A702-Q707 HydrophobicContact CB-CB 4.3Å; A702-Q707 PolarHBondContact O-N 3.38Å; A702-I710 HydrophobicContact CB-CB 4.37Å; A702-I710 HydrophobicContact CB-CG2 3.99Å |
| 703 | T | 83.2 | Confident | 85.8 | Confident | 48 Ų | 48 | 67 Ų | 67 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 173.7 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | I699 A705 R706 S711 | I699-T703 VanDerWaalsContact O-CB 3.22Å; I699-T703 WeakPolarHBondContact O-CB 3.37Å; I699-T703 PolarHBondContact O-N 3.11Å; I699-T703 PolarHBondContact O-OG1 3.14Å; T703-A705 VanDerWaalsContact C-N 3.29Å; T703-A705 PolarHBondContact O-N 3.42Å; T703-R706 PolarHBondContact O-N 2.93Å; T703-S711 PolarHBondContact OG1-OG 3.03Å |
| 704 | K | 85.6 | Confident | 85.8 | Confident | 147 Ų | 147 | 60.6 Ų | 60.6 | 64% | 0.639 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.5 | -37.7 | 176.8 | -75.2 | 169.8 | 179.2 | 163.7 | 0 | 112.2 | D700 K701 R706 | D700-K704 VanDerWaalsContact CG-NZ 3.25Å; D700-K704 WeakPolarHBondContact O-CB 3.47Å; D700-K704 VanDerWaalsContact O-CG 3.31Å; D700-K704 WeakPolarHBondContact O-CG 3.47Å; D700-K704 PolarHBondContact O-N 3.21Å; D700-K704 WeakPolarHBondContact OD1-CE 3.14Å; D700-K704 IonicContact OD1-NZ 3.94Å; D700-K704 PolarHBondContact OD1-NZ 3.06Å; D700-K704 IonicContact OD2-NZ 3.06Å; D700-K704 PolarHBondContact OD2-NZ 3.03Å; K701-K704 PolarHBondContact O-N 3.03Å; K704-R706 PolarHBondContact O-N 2.87Å |
| 705 | A | 84.3 | Confident | 85.8 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 4.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y679 K701 A702 T703 Q707 | Y679-A705 HydrophobicContact CD2-CB 4.18Å; Y679-A705 HydrophobicContact CE2-CB 3.44Å; Y679-A705 VanDerWaalsContact CE2-CB 3.44Å; K701-A705 WeakPolarHBondContact O-CB 3.49Å; K701-A705 PolarHBondContact O-N 3.38Å; A702-A705 CarbonylContact O-C 3.56Å; A702-A705 PolarHBondContact O-N 3.46Å; T703-A705 VanDerWaalsContact C-N 3.29Å; T703-A705 PolarHBondContact O-N 3.42Å; A705-Q707 PolarHBondContact O-N 3Å |
| 706 | R | 83.4 | Confident | 85.6 | Confident | 201 Ų | 201 | 66 Ų | 66 | 76% | 0.758 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 25 | -178.3 | -55.4 | -177.6 | 176.8 | -173.8 | -2 | 114.5 | A702 T703 K704 F708 | A702-R706 PolarHBondContact O-N 2.91Å; A702-R706 VanDerWaalsContact O-N 3.08Å; T703-R706 PolarHBondContact O-N 2.93Å; K704-R706 PolarHBondContact O-N 2.87Å; R706-F708 HydrophobicContact CB-CE2 3.97Å; R706-F708 HydrophobicContact CB-CZ 3.97Å; R706-F708 HydrophobicContact CG-CZ 4.19Å; R706-F708 WeakPolarHBondContact O-CD2 3.18Å; R706-F708 PolarHBondContact O-N 3.5Å |
| 707 | Q | 82.7 | Confident | 85.4 | Confident | 74 Ų | 74 | 66.5 Ų | 66.5 | 35% | 0.346 | 32% | 0.321 | S | S | . | . | trans | -91.5 | 71.4 | 172.6 | -65.9 | -172.6 | 4.7 | 0 | 0 | 110.1 | A702 A705 N709 I710 S711 | A702-Q707 HydrophobicContact CB-CB 4.3Å; A702-Q707 PolarHBondContact O-N 3.38Å; A705-Q707 PolarHBondContact O-N 3Å; Q707-N709 VanDerWaalsContact C-N 3.33Å; Q707-N709 PolarHBondContact O-N 3.11Å; Q707-I710 HydrophobicContact CB-CB 4.46Å; Q707-I710 HydrophobicContact CB-CD1 4.33Å; Q707-I710 PolarHBondContact O-N 3.01Å; Q707-S711 PolarHBondContact O-N 3.21Å; Q707-S711 VanDerWaalsContact O-N 3.12Å | ||
| 708 | F | 80.8 | Confident | 85.3 | Confident | 100 Ų | 100 | 65.5 Ų | 65.5 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.5 | -34.1 | -170 | -58.1 | -64.2 | 0 | 0 | 0 | 113.7 | R706 I710 S711 F712 V732 | R706-F708 HydrophobicContact CB-CE2 3.97Å; R706-F708 HydrophobicContact CB-CZ 3.97Å; R706-F708 HydrophobicContact CG-CZ 4.19Å; R706-F708 WeakPolarHBondContact O-CD2 3.18Å; R706-F708 PolarHBondContact O-N 3.5Å; F708-I710 PolarHBondContact O-N 2.89Å; F708-S711 PolarHBondContact O-N 2.89Å; F708-F712 VanDerWaalsContact O-CB 3.3Å; F708-F712 WeakPolarHBondContact O-CB 3.31Å; F708-F712 PolarHBondContact O-N 3.36Å; F708-V732 HydrophobicContact CE1-CG1 4.41Å; F708-V732 HydrophobicContact CZ-CG1 4.41Å |
| 709 | N | 85.3 | Confident | 85 | Confident | 123 Ų | 123 | 68.5 Ų | 68.5 | 66% | 0.658 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 178.9 | -63.6 | -2.6 | 0 | 0 | 0 | 111.5 | Q707 F712 L713 | Q707-N709 VanDerWaalsContact C-N 3.33Å; Q707-N709 PolarHBondContact O-N 3.11Å; N709-F712 PolarHBondContact O-N 3.03Å; N709-L713 PolarHBondContact O-N 3.17Å |
| 710 | I | 86 | Confident | 84.4 | Confident | 40 Ų | 40 | 70.8 Ų | 70.8 | 21% | 0.205 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | 177.7 | -70.1 | 165.1 | 0 | 0 | 0 | 110 | L683 V698 A702 Q707 F708 F712 L713 A714 | L683-I710 HydrophobicContact CB-CG2 4.3Å; L683-I710 HydrophobicContact CD2-CG2 3.97Å; V698-I710 HydrophobicContact CG1-CG2 3.93Å; A702-I710 HydrophobicContact CB-CB 4.37Å; A702-I710 HydrophobicContact CB-CG2 3.99Å; Q707-I710 HydrophobicContact CB-CB 4.46Å; Q707-I710 HydrophobicContact CB-CD1 4.33Å; Q707-I710 PolarHBondContact O-N 3.01Å; F708-I710 PolarHBondContact O-N 2.89Å; I710-F712 VanDerWaalsContact C-N 3.31Å; I710-F712 PolarHBondContact O-N 2.68Å; I710-L713 PolarHBondContact O-N 3.34Å; I710-A714 VanDerWaalsContact O-CB 3.29Å; I710-A714 WeakPolarHBondContact O-CB 3.28Å; I710-A714 PolarHBondContact O-N 3.26Å |
| 711 | S | 84.1 | Confident | 83.4 | Confident | 6 Ų | 6 | 71 Ų | 71 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 175.4 | 179 | 0 | 0 | 0 | 0 | 112.7 | T703 Q707 F708 R715 | T703-S711 PolarHBondContact OG1-OG 3.03Å; Q707-S711 PolarHBondContact O-N 3.21Å; Q707-S711 VanDerWaalsContact O-N 3.12Å; F708-S711 PolarHBondContact O-N 2.89Å; S711-R715 WeakPolarHBondContact O-CG 3.23Å; S711-R715 PolarHBondContact O-N 3.04Å |
| 712 | F | 83.5 | Confident | 82 | Confident | 76 Ų | 76 | 70.8 Ų | 70.8 | 33% | 0.333 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.7 | -49.9 | 178.1 | 175.5 | -91.2 | 0 | 0 | 0 | 110.3 | F708 N709 I710 A714 R715 F716 M725 | F708-F712 VanDerWaalsContact O-CB 3.3Å; F708-F712 WeakPolarHBondContact O-CB 3.31Å; F708-F712 PolarHBondContact O-N 3.36Å; N709-F712 PolarHBondContact O-N 3.03Å; I710-F712 VanDerWaalsContact C-N 3.31Å; I710-F712 PolarHBondContact O-N 2.68Å; F712-A714 VanDerWaalsContact C-N 3.3Å; F712-A714 PolarHBondContact O-N 2.94Å; F712-R715 PolarHBondContact O-N 3.43Å; F712-F716 PolarHBondContact O-N 2.87Å; F712-M725 HydrophobicContact CD2-CB 4Å; F712-M725 HydrophobicContact CD2-SD 4.19Å; F712-M725 HydrophobicContact CE2-CB 3.66Å; F712-M725 HydrophobicContact CE2-SD 4.14Å |
| 713 | L | 85.4 | Confident | 80.6 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 45% | 0.45 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 179.5 | -164.5 | 69.9 | 0 | 0 | 0 | 111.5 | L683 N709 I710 F716 L717 | L683-L713 HydrophobicContact CD2-CB 3.96Å; L683-L713 HydrophobicContact CD2-CD2 3.8Å; L683-L713 HydrophobicContact CD2-CG 4.18Å; N709-L713 PolarHBondContact O-N 3.17Å; I710-L713 PolarHBondContact O-N 3.34Å; L713-F716 PolarHBondContact O-N 3.4Å; L713-L717 HydrophobicContact CG-CD1 4.47Å; L713-L717 WeakPolarHBondContact O-CG 3.27Å; L713-L717 PolarHBondContact O-N 3.43Å |
| 714 | A | 87.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L683 L695 V698 I699 I710 F712 L717 A718 | L683-A714 HydrophobicContact CD1-CB 3.67Å; L695-A714 HydrophobicContact CD2-CB 4.2Å; V698-A714 HydrophobicContact CB-CB 4.47Å; V698-A714 HydrophobicContact CG1-CB 4.01Å; I699-A714 HydrophobicContact CD1-CB 4.24Å; I699-A714 HydrophobicContact CG1-CB 3.49Å; I699-A714 VanDerWaalsContact CG1-CB 3.49Å; I710-A714 VanDerWaalsContact O-CB 3.29Å; I710-A714 WeakPolarHBondContact O-CB 3.28Å; I710-A714 PolarHBondContact O-N 3.26Å; F712-A714 VanDerWaalsContact C-N 3.3Å; F712-A714 PolarHBondContact O-N 2.94Å; A714-L717 PolarHBondContact O-N 2.9Å; A714-A718 WeakPolarHBondContact O-CB 3.31Å; A714-A718 PolarHBondContact O-N 2.81Å |
| 715 | R | 84.5 | Confident | 78 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 21% | 0.211 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 174.7 | -77.6 | -179 | -179.3 | 172.4 | 6.7 | 112.5 | I699 S711 F712 A718 G719 E720 M725 | I699-R715 HydrophobicContact CB-CG 4.43Å; I699-R715 HydrophobicContact CD1-CB 4.21Å; I699-R715 HydrophobicContact CD1-CG 3.51Å; I699-R715 HydrophobicContact CG1-CG 3.73Å; I699-R715 HydrophobicContact CG2-CG 3.79Å; I699-R715 VanDerWaalsContact CG2-NE 3.29Å; S711-R715 WeakPolarHBondContact O-CG 3.23Å; S711-R715 PolarHBondContact O-N 3.04Å; F712-R715 PolarHBondContact O-N 3.43Å; R715-A718 PolarHBondContact O-N 3.21Å; R715-G719 PolarHBondContact O-N 3.07Å; R715-E720 HydrophobicContact CB-CB 4.33Å; R715-E720 HydrophobicContact CB-CG 4.45Å; R715-E720 WeakPolarHBondContact CD-OE2 3.44Å; R715-E720 WeakPolarHBondContact O-CB 3.41Å; R715-E720 PolarHBondContact O-N 3.47Å; R715-E720 VanDerWaalsContact O-N 3.09Å; R715-M725 HydrophobicContact CB-CE 4.41Å; R715-M725 HydrophobicContact CB-CG 4.1Å; R715-M725 HydrophobicContact CB-SD 3.35Å; R715-M725 WeakPolarHBondContact CB-SD 3.4Å |
| 716 | F | 84.8 | Confident | 76.7 | Confident | 108 Ų | 108 | 69.5 Ų | 69.5 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 175.4 | 179 | -99.9 | 0 | 0 | 0 | 111.2 | F712 L713 A718 G719 P722 M725 | F712-F716 PolarHBondContact O-N 2.87Å; L713-F716 PolarHBondContact O-N 3.4Å; F716-A718 VanDerWaalsContact C-N 3.28Å; F716-A718 PolarHBondContact O-N 3.28Å; F716-G719 PolarHBondContact O-N 3.35Å; F716-G719 VanDerWaalsContact O-N 3.07Å; F716-P722 HydrophobicContact CD2-CG 4.2Å; F716-P722 HydrophobicContact CE2-CG 4.03Å; F716-M725 HydrophobicContact CB-CE 3.85Å; F716-M725 HydrophobicContact CB-SD 4.17Å; F716-M725 HydrophobicContact CD2-CE 4.1Å; F716-M725 HydrophobicContact CG-CE 4.48Å; F716-M725 PolarHBondContact N-SD 3.42Å; F716-M725 VanDerWaalsContact N-SD 3.45Å |
| 717 | L | 85.5 | Confident | 75.4 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.2 | -27.6 | 176.4 | -67.6 | 173.4 | 0 | 0 | 0 | 113.1 | L683 L695 L713 A714 G719 | L683-L717 HydrophobicContact CD1-CD1 4Å; L695-L717 HydrophobicContact CD1-CB 4.12Å; L695-L717 HydrophobicContact CD2-CB 4.12Å; L713-L717 HydrophobicContact CG-CD1 4.47Å; L713-L717 WeakPolarHBondContact O-CG 3.27Å; L713-L717 PolarHBondContact O-N 3.43Å; A714-L717 PolarHBondContact O-N 2.9Å; L717-G719 PolarHBondContact O-N 3Å |
| 718 | A | 85.3 | Confident | 74 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 19% | 0.19 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -3.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L692 L695 I699 A714 R715 F716 | L692-A718 HydrophobicContact CD1-CB 3.78Å; L695-A718 HydrophobicContact CB-CB 4.4Å; L695-A718 HydrophobicContact CD1-CB 4.3Å; I699-A718 HydrophobicContact CD1-CB 4.26Å; A714-A718 WeakPolarHBondContact O-CB 3.31Å; A714-A718 PolarHBondContact O-N 2.81Å; R715-A718 PolarHBondContact O-N 3.21Å; F716-A718 VanDerWaalsContact C-N 3.28Å; F716-A718 PolarHBondContact O-N 3.28Å |
| 719 | G | 82.1 | Confident | 72.8 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 66% | 0.66 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 15.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | R715 F716 L717 | R715-G719 PolarHBondContact O-N 3.07Å; F716-G719 PolarHBondContact O-N 3.35Å; F716-G719 VanDerWaalsContact O-N 3.07Å; L717-G719 PolarHBondContact O-N 3Å |
| 720 | E | 75.6 | Confident | 71.3 | Confident | 59 Ų | 59 | 57.9 Ų | 57.9 | 28% | 0.276 | 34% | 0.343 | S | S | . | . | trans | -64 | 144.6 | 168.8 | -70.6 | -170.5 | -155.4 | 0 | 0 | 109.7 | R715 M725 K728 | R715-E720 HydrophobicContact CB-CB 4.33Å; R715-E720 HydrophobicContact CB-CG 4.45Å; R715-E720 WeakPolarHBondContact CD-OE2 3.44Å; R715-E720 WeakPolarHBondContact O-CB 3.41Å; R715-E720 PolarHBondContact O-N 3.47Å; R715-E720 VanDerWaalsContact O-N 3.09Å; E720-M725 VanDerWaalsContact C-CE 3.46Å; E720-M725 HydrophobicContact CB-CE 3.8Å; E720-M725 HydrophobicContact CB-CG 4.15Å; E720-M725 HydrophobicContact CB-SD 4.32Å; E720-M725 WeakPolarHBondContact O-CE 3.42Å; E720-K728 IonicContact OE2-NZ 3.47Å | ||
| 721 | C | 66.4 | Low | 69.9 | Low | 86 Ų | 86 | 59.9 Ų | 59.9 | 58% | 0.581 | 35% | 0.353 | S | S | * | . | trans | -67.6 | 133.6 | -179.9 | -90.1 | 0 | 0 | 0 | 0 | 110.9 | G723 T724 M725 | C721-G723 PolarHBondContact O-N 3.35Å; C721-G723 VanDerWaalsContact O-N 3.14Å; C721-T724 WeakPolarHBondContact CB-OG1 3.41Å; C721-T724 PolarHBondContact O-N 3.37Å; C721-T724 PolarHBondContact O-OG1 3.12Å; C721-M725 PolarHBondContact O-N 3.28Å; C721-M725 VanDerWaalsContact O-N 3.17Å | ||
| 722 | P | 59.3 | Low | 68.5 | Low | 64 Ų | 64 | 63.2 Ų | 63.2 | 42% | 0.416 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -53.4 | -37.1 | 178.7 | -27.5 | 34 | 0 | 0 | 0 | 113.1 | F716 M725 L726 | F716-P722 HydrophobicContact CD2-CG 4.2Å; F716-P722 HydrophobicContact CE2-CG 4.03Å; P722-M725 PolarHBondContact O-N 3.24Å; P722-L726 PolarHBondContact O-N 3.22Å |
| 723 | G | 57.3 | Low | 66.9 | Low | 54 Ų | 54 | 61 Ų | 61 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C721 M725 L727 | C721-G723 PolarHBondContact O-N 3.35Å; C721-G723 VanDerWaalsContact O-N 3.14Å; G723-M725 VanDerWaalsContact C-N 3.31Å; G723-M725 PolarHBondContact O-N 2.93Å; G723-L727 WeakPolarHBondContact O-CB 3.48Å; G723-L727 PolarHBondContact O-N 3.37Å; G723-L727 VanDerWaalsContact O-N 3.16Å |
| 724 | T | 56.8 | Low | 65.3 | Low | 67 Ų | 67 | 63.6 Ų | 63.6 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71 | -27.2 | 174.8 | 34.9 | 0 | 0 | 0 | 0 | 112.9 | C721 K728 | C721-T724 WeakPolarHBondContact CB-OG1 3.41Å; C721-T724 PolarHBondContact O-N 3.37Å; C721-T724 PolarHBondContact O-OG1 3.12Å; T724-K728 WeakPolarHBondContact O-CG 3.44Å; T724-K728 PolarHBondContact O-N 3.31Å |
| 725 | M | 56.5 | Low | 63.5 | Low | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.02 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -76.2 | -45.2 | 177 | -75.2 | -172.4 | -102.4 | 0 | 0 | 112.7 | F712 R715 F716 E720 C721 P722 G723 L727 K728 A729 | F712-M725 HydrophobicContact CD2-CB 4Å; F712-M725 HydrophobicContact CD2-SD 4.19Å; F712-M725 HydrophobicContact CE2-CB 3.66Å; F712-M725 HydrophobicContact CE2-SD 4.14Å; R715-M725 HydrophobicContact CB-CE 4.41Å; R715-M725 HydrophobicContact CB-CG 4.1Å; R715-M725 HydrophobicContact CB-SD 3.35Å; R715-M725 WeakPolarHBondContact CB-SD 3.4Å; F716-M725 HydrophobicContact CB-CE 3.85Å; F716-M725 HydrophobicContact CB-SD 4.17Å; F716-M725 HydrophobicContact CD2-CE 4.1Å; F716-M725 HydrophobicContact CG-CE 4.48Å; F716-M725 PolarHBondContact N-SD 3.42Å; F716-M725 VanDerWaalsContact N-SD 3.45Å; E720-M725 VanDerWaalsContact C-CE 3.46Å; E720-M725 HydrophobicContact CB-CE 3.8Å; E720-M725 HydrophobicContact CB-CG 4.15Å; E720-M725 HydrophobicContact CB-SD 4.32Å; E720-M725 WeakPolarHBondContact O-CE 3.42Å; C721-M725 PolarHBondContact O-N 3.28Å; C721-M725 VanDerWaalsContact O-N 3.17Å; P722-M725 PolarHBondContact O-N 3.24Å; G723-M725 VanDerWaalsContact C-N 3.31Å; G723-M725 PolarHBondContact O-N 2.93Å; M725-L727 VanDerWaalsContact C-N 3.28Å; M725-L727 PolarHBondContact O-N 3.48Å; M725-K728 PolarHBondContact O-N 3.06Å; M725-A729 WeakPolarHBondContact O-CB 3.42Å; M725-A729 PolarHBondContact O-N 3.09Å |
| 726 | L | 58 | Low | 61.6 | Low | 86 Ų | 86 | 70.3 Ų | 70.3 | 45% | 0.45 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 174.7 | -77.5 | 164.6 | 0 | 0 | 0 | 111.3 | P722 A729 A730 | P722-L726 PolarHBondContact O-N 3.22Å; L726-A729 PolarHBondContact O-N 3.04Å; L726-A730 VanDerWaalsContact O-CB 3.25Å; L726-A730 WeakPolarHBondContact O-CB 3.46Å; L726-A730 PolarHBondContact O-N 3.28Å |
| 727 | L | 55.1 | Low | 59.7 | Low | 72 Ų | 72 | 70.5 Ų | 70.5 | 38% | 0.377 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 175.4 | -162.3 | 79 | 0 | 0 | 0 | 112 | G723 M725 A730 I731 | G723-L727 WeakPolarHBondContact O-CB 3.48Å; G723-L727 PolarHBondContact O-N 3.37Å; G723-L727 VanDerWaalsContact O-N 3.16Å; M725-L727 VanDerWaalsContact C-N 3.28Å; M725-L727 PolarHBondContact O-N 3.48Å; L727-A730 PolarHBondContact O-N 3.1Å; L727-I731 HydrophobicContact CG-CD1 4.19Å; L727-I731 WeakPolarHBondContact O-CB 3.4Å; L727-I731 WeakPolarHBondContact O-CD1 3.49Å; L727-I731 WeakPolarHBondContact O-CG1 3.36Å; L727-I731 PolarHBondContact O-N 3.11Å |
| 728 | K | 55.2 | Low | 57.9 | Low | 98 Ų | 98 | 70.7 Ų | 70.7 | 43% | 0.426 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 175.4 | -75.9 | 174.7 | -175.9 | 172.1 | 0 | 112 | E720 T724 M725 I731 V732 | E720-K728 IonicContact OE2-NZ 3.47Å; T724-K728 WeakPolarHBondContact O-CG 3.44Å; T724-K728 PolarHBondContact O-N 3.31Å; M725-K728 PolarHBondContact O-N 3.06Å; K728-I731 PolarHBondContact O-N 3.01Å; K728-V732 WeakPolarHBondContact O-CG2 3.38Å; K728-V732 PolarHBondContact O-N 3.48Å; K728-V732 VanDerWaalsContact O-N 3.12Å |
| 729 | A | 53.9 | Low | 55.9 | Low | 52 Ų | 52 | 75 Ų | 75 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M725 L726 V732 A733 | M725-A729 WeakPolarHBondContact O-CB 3.42Å; M725-A729 PolarHBondContact O-N 3.09Å; L726-A729 PolarHBondContact O-N 3.04Å; A729-V732 PolarHBondContact O-N 3.46Å; A729-A733 WeakPolarHBondContact O-CB 3.41Å; A729-A733 PolarHBondContact O-N 2.89Å |
| 730 | A | 55.2 | Low | 54.4 | Low | 31 Ų | 31 | 79.4 Ų | 79.4 | 26% | 0.256 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L726 L727 V732 A733 D734 | L726-A730 VanDerWaalsContact O-CB 3.25Å; L726-A730 WeakPolarHBondContact O-CB 3.46Å; L726-A730 PolarHBondContact O-N 3.28Å; L727-A730 PolarHBondContact O-N 3.1Å; A730-V732 VanDerWaalsContact C-N 3.31Å; A730-V732 PolarHBondContact O-N 3.5Å; A730-A733 CarbonylContact O-C 3.56Å; A730-A733 PolarHBondContact O-N 3.42Å; A730-D734 WeakPolarHBondContact O-CB 3.39Å; A730-D734 PolarHBondContact O-N 3.18Å |
| 731 | I | 56.8 | Low | 53.2 | Low | 82 Ų | 82 | 81.7 Ų | 81.7 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -35 | 176.2 | -69.9 | 163.9 | 0 | 0 | 0 | 112 | L727 K728 | L727-I731 HydrophobicContact CG-CD1 4.19Å; L727-I731 WeakPolarHBondContact O-CB 3.4Å; L727-I731 WeakPolarHBondContact O-CD1 3.49Å; L727-I731 WeakPolarHBondContact O-CG1 3.36Å; L727-I731 PolarHBondContact O-N 3.11Å; K728-I731 PolarHBondContact O-N 3.01Å |
| 732 | V | 53 | Low | 52.3 | Low | 76 Ų | 76 | 81.3 Ų | 81.3 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -74.4 | -36.6 | 174.2 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | F708 K728 A729 A730 S735 | F708-V732 HydrophobicContact CE1-CG1 4.41Å; F708-V732 HydrophobicContact CZ-CG1 4.41Å; K728-V732 WeakPolarHBondContact O-CG2 3.38Å; K728-V732 PolarHBondContact O-N 3.48Å; K728-V732 VanDerWaalsContact O-N 3.12Å; A729-V732 PolarHBondContact O-N 3.46Å; A730-V732 VanDerWaalsContact C-N 3.31Å; A730-V732 PolarHBondContact O-N 3.5Å; V732-S735 WeakPolarHBondContact O-CB 3.4Å; V732-S735 PolarHBondContact O-N 3.24Å; V732-S735 PolarHBondContact O-OG 3.38Å |
| 733 | A | 51 | Low | 51.7 | Low | 29 Ų | 29 | 83.4 Ų | 83.4 | 24% | 0.24 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -68.6 | -35.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A729 A730 S735 L736 Y742 | A729-A733 WeakPolarHBondContact O-CB 3.41Å; A729-A733 PolarHBondContact O-N 2.89Å; A730-A733 CarbonylContact O-C 3.56Å; A730-A733 PolarHBondContact O-N 3.42Å; A733-S735 PolarHBondContact O-N 2.97Å; A733-S735 VanDerWaalsContact O-N 3.12Å; A733-L736 VanDerWaalsContact O-CB 3.28Å; A733-L736 WeakPolarHBondContact O-CB 3.07Å; A733-L736 PolarHBondContact O-N 2.93Å; A733-Y742 HydrophobicContact CB-CD2 4.49Å |
| 734 | D | 51.3 | Low | 51.3 | Low | 142 Ų | 142 | 87.6 Ų | 87.6 | 76% | 0.759 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -10.3 | 174.9 | -85.6 | -13.6 | 0 | 0 | 0 | 113.4 | A730 L736 | A730-D734 WeakPolarHBondContact O-CB 3.39Å; A730-D734 PolarHBondContact O-N 3.18Å; D734-L736 VanDerWaalsContact C-N 3.27Å |
| 735 | S | 50 | Low | 50.7 | Low | 97 Ų | 97 | 89.6 Ų | 89.6 | 68% | 0.678 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -4.7 | 169.1 | 74.9 | 0 | 0 | 0 | 0 | 113.7 | V732 A733 | V732-S735 WeakPolarHBondContact O-CB 3.4Å; V732-S735 PolarHBondContact O-N 3.24Å; V732-S735 PolarHBondContact O-OG 3.38Å; A733-S735 PolarHBondContact O-N 2.97Å; A733-S735 VanDerWaalsContact O-N 3.12Å |
| 736 | L | 44.4 | Very low | 50.1 | Low | 100 Ų | 100 | 94 Ų | 94 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -93.5 | 128.6 | 173 | -64.6 | 159.9 | 0 | 0 | 0 | 109.7 | A733 D734 D738 | A733-L736 VanDerWaalsContact O-CB 3.28Å; A733-L736 WeakPolarHBondContact O-CB 3.07Å; A733-L736 PolarHBondContact O-N 2.93Å; D734-L736 VanDerWaalsContact C-N 3.27Å; L736-D738 PolarHBondContact O-N 2.85Å |
| 737 | A | 44.1 | Very low | 49.6 | Very low | 112 Ų | 112 | 94.8 Ų | 94.8 | 93% | 0.926 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -70.5 | 0.6 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 738 | D | 48.5 | Very low | 49.2 | Very low | 87 Ų | 87 | 98.9 Ų | 98.9 | 47% | 0.465 | 56% | 0.555 | S | S | . | * | trans | -140.3 | 114 | -175.2 | -160.8 | -16.8 | 0 | 0 | 0 | 112.6 | L736 K740 Q741 | L736-D738 PolarHBondContact O-N 2.85Å; D738-K740 PolarHBondContact O-N 3.43Å; D738-K740 VanDerWaalsContact O-N 3.07Å; D738-K740 PolarHBondContact OD1-N 3Å; D738-Q741 PolarHBondContact O-N 3.05Å | ||
| 739 | P | 44.2 | Very low | 48.6 | Very low | 112 Ų | 112 | 99.8 Ų | 99.8 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -57.2 | -20.5 | 178.4 | -25 | 33.6 | 0 | 0 | 0 | 114.9 | Q741 Y742 | P739-Q741 PolarHBondContact O-N 3.22Å; P739-Y742 PolarHBondContact O-N 2.89Å |
| 740 | K | 51 | Low | 47.9 | Very low | 157 Ų | 157 | 98.8 Ų | 98.8 | 68% | 0.683 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -69.8 | -15.1 | -179.1 | -68.7 | -175.1 | 178.5 | -178.2 | 0 | 114.6 | D738 Y742 | D738-K740 PolarHBondContact O-N 3.43Å; D738-K740 VanDerWaalsContact O-N 3.07Å; D738-K740 PolarHBondContact OD1-N 3Å; K740-Y742 VanDerWaalsContact C-N 3.28Å |
| 741 | Q | 49.3 | Very low | 47.3 | Very low | 107 Ų | 107 | 107.6 Ų | 107.6 | 50% | 0.5 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -74.9 | -18.1 | 176 | -74.2 | -172.6 | -14 | 0 | 0 | 113.2 | D738 P739 | D738-Q741 PolarHBondContact O-N 3.05Å; P739-Q741 PolarHBondContact O-N 3.22Å |
| 742 | Y | 46.8 | Very low | 46.8 | Very low | 79 Ų | 79 | 106.9 Ų | 106.9 | 31% | 0.31 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -41.3 | -175.8 | -161.4 | -91.2 | 0 | 0 | 0 | 112.8 | A733 P739 K740 N744 L745 L755 | A733-Y742 HydrophobicContact CB-CD2 4.49Å; P739-Y742 PolarHBondContact O-N 2.89Å; K740-Y742 VanDerWaalsContact C-N 3.28Å; Y742-N744 PolarHBondContact O-N 3.37Å; Y742-N744 VanDerWaalsContact O-N 3.17Å; Y742-L745 PolarHBondContact O-N 3.35Å; Y742-L745 VanDerWaalsContact O-N 3.1Å; Y742-L755 HydrophobicContact CE1-CD1 3.64Å; Y742-L755 WeakPolarHBondContact OH-CD1 2.87Å |
| 743 | D | 46.6 | Very low | 46.4 | Very low | 107 Ų | 107 | 106.4 Ų | 106.4 | 57% | 0.572 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -23.6 | -177.7 | -70.9 | -21.5 | 0 | 0 | 0 | 113.1 | ||
| 744 | N | 49.4 | Very low | 46.1 | Very low | 142 Ų | 142 | 110.4 Ų | 110.4 | 76% | 0.759 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -17.7 | 178.5 | -73.3 | -20.8 | 0 | 0 | 0 | 113.9 | Y742 | Y742-N744 PolarHBondContact O-N 3.37Å; Y742-N744 VanDerWaalsContact O-N 3.17Å |
| 745 | L | 44.5 | Very low | 45.9 | Very low | 110 Ų | 110 | 107.3 Ų | 107.3 | 58% | 0.576 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -25 | -175.2 | -81.1 | 159.6 | 0 | 0 | 0 | 112.9 | Y742 | Y742-L745 PolarHBondContact O-N 3.35Å; Y742-L745 VanDerWaalsContact O-N 3.1Å |
| 746 | F | 44.9 | Very low | 45.9 | Very low | 96 Ų | 96 | 108.1 Ų | 108.1 | 42% | 0.421 | 58% | 0.581 | S | S | . | * | trans | -143 | 67.5 | -176.6 | -58.5 | -76.1 | 0 | 0 | 0 | 112.4 | D748 L749 | F746-D748 PolarHBondContact O-N 3.22Å; F746-D748 VanDerWaalsContact O-N 3.15Å; F746-L749 HydrophobicContact CB-CD1 4.17Å; F746-L749 HydrophobicContact CD1-CD1 4.42Å; F746-L749 HydrophobicContact CG-CD1 4.49Å; F746-L749 PolarHBondContact O-N 3Å | ||
| 747 | P | 46.5 | Very low | 46.1 | Very low | 102 Ų | 102 | 108.6 Ų | 108.6 | 66% | 0.662 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -17.9 | -176 | 25.2 | -33.4 | 0 | 0 | 0 | 114.4 | ||
| 748 | D | 45.9 | Very low | 46.3 | Very low | 159 Ų | 159 | 109.1 Ų | 109.1 | 85% | 0.85 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -5.9 | -176 | -61 | -35 | 0 | 0 | 0 | 114.3 | F746 | F746-D748 PolarHBondContact O-N 3.22Å; F746-D748 VanDerWaalsContact O-N 3.15Å |
| 749 | L | 43.7 | Very low | 46.4 | Very low | 116 Ų | 116 | 111 Ų | 111 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -97.9 | 111 | 172.3 | -84.4 | 144.8 | 0 | 0 | 0 | 107.2 | F746 | F746-L749 HydrophobicContact CB-CD1 4.17Å; F746-L749 HydrophobicContact CD1-CD1 4.42Å; F746-L749 HydrophobicContact CG-CD1 4.49Å; F746-L749 PolarHBondContact O-N 3Å |
| 750 | G | 39.4 | Very low | 46.8 | Very low | 31 Ų | 31 | 109.4 Ų | 109.4 | 32% | 0.32 | 56% | 0.556 | S | S | . | * | trans | -48.5 | 149 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E754 | G750-E754 WeakPolarHBondContact CA-OE2 3.05Å; G750-E754 PolarHBondContact N-OE2 2.83Å | ||
| 751 | R | 42.2 | Very low | 46.8 | Very low | 217 Ų | 217 | 106.1 Ų | 106.1 | 82% | 0.819 | 55% | 0.549 | S | S | * | . | trans | -16.8 | 138.3 | 179.2 | -73.6 | 177.6 | 175.1 | 166.7 | -0.8 | 114.1 | S753 E754 | R751-S753 WeakPolarHBondContact CB-OG 3.43Å; R751-S753 CarbonylContact O-C 3.54Å; R751-S753 WeakPolarHBondContact O-CA 3.35Å; R751-S753 PolarHBondContact O-N 3.27Å; R751-S753 PolarHBondContact O-OG 2.68Å; R751-E754 PolarHBondContact O-N 3.12Å | ||
| 752 | A | 45.9 | Very low | 46.8 | Very low | 66 Ų | 66 | 107.1 Ų | 107.1 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -29.1 | -31.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | E754 L755 E756 | A752-E754 VanDerWaalsContact C-N 3.31Å; A752-E754 PolarHBondContact O-N 2.87Å; A752-L755 PolarHBondContact O-N 3.49Å; A752-E756 PolarHBondContact O-N 2.9Å |
| 753 | S | 45.8 | Very low | 47 | Very low | 67 Ų | 67 | 105.8 Ų | 105.8 | 47% | 0.469 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -50 | -33.2 | 165.5 | 46.8 | 0 | 0 | 0 | 0 | 116.8 | R751 L757 | R751-S753 WeakPolarHBondContact CB-OG 3.43Å; R751-S753 CarbonylContact O-C 3.54Å; R751-S753 WeakPolarHBondContact O-CA 3.35Å; R751-S753 PolarHBondContact O-N 3.27Å; R751-S753 PolarHBondContact O-OG 2.68Å; S753-L757 WeakPolarHBondContact O-CB 3.28Å; S753-L757 PolarHBondContact O-N 3.36Å |
| 754 | E | 44.3 | Very low | 47 | Very low | 113 Ų | 113 | 110 Ų | 110 | 53% | 0.528 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -77.4 | -32.5 | 179.2 | -71.5 | -172.6 | 167.4 | 0 | 0 | 112 | G750 R751 A752 L757 L758 | G750-E754 WeakPolarHBondContact CA-OE2 3.05Å; G750-E754 PolarHBondContact N-OE2 2.83Å; R751-E754 PolarHBondContact O-N 3.12Å; A752-E754 VanDerWaalsContact C-N 3.31Å; A752-E754 PolarHBondContact O-N 2.87Å; E754-L757 PolarHBondContact O-N 2.81Å; E754-L758 WeakPolarHBondContact O-CB 3.23Å; E754-L758 PolarHBondContact O-N 2.89Å |
| 755 | L | 47.2 | Very low | 46.9 | Very low | 77 Ų | 77 | 108 Ų | 108 | 40% | 0.403 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.8 | -36 | 170.9 | -85.9 | 160 | 0 | 0 | 0 | 111.8 | Y742 A752 L757 L758 R759 | Y742-L755 HydrophobicContact CE1-CD1 3.64Å; Y742-L755 WeakPolarHBondContact OH-CD1 2.87Å; A752-L755 PolarHBondContact O-N 3.49Å; L755-L757 VanDerWaalsContact C-N 3.31Å; L755-L758 PolarHBondContact O-N 2.87Å; L755-R759 WeakPolarHBondContact O-CB 3.4Å; L755-R759 PolarHBondContact O-N 3.12Å |
| 756 | E | 49.9 | Very low | 47 | Very low | 114 Ų | 114 | 108.2 Ų | 108.2 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 168 | -78 | -174 | 152.9 | 0 | 0 | 111.6 | A752 R759 D760 | A752-E756 PolarHBondContact O-N 2.9Å; E756-R759 WeakPolarHBondContact O-CB 3.12Å; E756-R759 PolarHBondContact O-N 3.11Å; E756-D760 VanDerWaalsContact O-CB 3.29Å; E756-D760 WeakPolarHBondContact O-CB 3.37Å; E756-D760 PolarHBondContact O-N 3.13Å |
| 757 | L | 48.3 | Very low | 47.2 | Very low | 110 Ų | 110 | 110.6 Ų | 110.6 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.8 | -41.7 | 175.6 | -161.3 | 78 | 0 | 0 | 0 | 111.7 | S753 E754 L755 D760 T761 | S753-L757 WeakPolarHBondContact O-CB 3.28Å; S753-L757 PolarHBondContact O-N 3.36Å; E754-L757 PolarHBondContact O-N 2.81Å; L755-L757 VanDerWaalsContact C-N 3.31Å; L757-D760 PolarHBondContact O-N 3.49Å; L757-T761 WeakPolarHBondContact O-CB 3.24Å; L757-T761 PolarHBondContact O-N 2.99Å; L757-T761 PolarHBondContact O-OG1 3.41Å |
| 758 | L | 48.3 | Very low | 47.5 | Very low | 123 Ų | 123 | 108.3 Ų | 108.3 | 64% | 0.644 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.4 | -39.5 | 174.3 | -103 | 140.6 | 0 | 0 | 0 | 112 | E754 L755 T761 Y762 | E754-L758 WeakPolarHBondContact O-CB 3.23Å; E754-L758 PolarHBondContact O-N 2.89Å; L755-L758 PolarHBondContact O-N 2.87Å; L758-T761 PolarHBondContact O-N 3.43Å; L758-Y762 WeakPolarHBondContact O-CB 3.32Å; L758-Y762 PolarHBondContact O-N 3.14Å |
| 759 | R | 50.2 | Low | 47.7 | Very low | 126 Ų | 126 | 102.5 Ų | 102.5 | 48% | 0.475 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 172.2 | 174.9 | -176.7 | 172.4 | -164.2 | -2.8 | 111.1 | L755 E756 Y762 L763 | L755-R759 WeakPolarHBondContact O-CB 3.4Å; L755-R759 PolarHBondContact O-N 3.12Å; E756-R759 WeakPolarHBondContact O-CB 3.12Å; E756-R759 PolarHBondContact O-N 3.11Å; R759-Y762 PolarHBondContact O-N 3.33Å; R759-L763 HydrophobicContact CG-CD1 3.76Å; R759-L763 WeakPolarHBondContact O-CB 3.44Å; R759-L763 WeakPolarHBondContact O-CD1 3.26Å; R759-L763 WeakPolarHBondContact O-CG 3.47Å; R759-L763 PolarHBondContact O-N 3.44Å |
| 760 | D | 52.5 | Low | 48.2 | Very low | 79 Ų | 79 | 103.7 Ų | 103.7 | 42% | 0.422 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70 | -34.6 | 179.3 | -83.2 | -4.1 | 0 | 0 | 0 | 112.5 | E756 L757 Y762 L763 R764 | E756-D760 VanDerWaalsContact O-CB 3.29Å; E756-D760 WeakPolarHBondContact O-CB 3.37Å; E756-D760 PolarHBondContact O-N 3.13Å; L757-D760 PolarHBondContact O-N 3.49Å; D760-Y762 VanDerWaalsContact C-N 3.34Å; D760-L763 PolarHBondContact O-N 3.08Å; D760-R764 VanDerWaalsContact O-CG 3.3Å; D760-R764 WeakPolarHBondContact O-CG 3.23Å; D760-R764 PolarHBondContact O-N 3.27Å |
| 761 | T | 51.8 | Low | 48.9 | Very low | 88 Ų | 88 | 108.2 Ų | 108.2 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.4 | -36.5 | 175.9 | -54.5 | 0 | 0 | 0 | 0 | 110.8 | L757 L758 | L757-T761 WeakPolarHBondContact O-CB 3.24Å; L757-T761 PolarHBondContact O-N 2.99Å; L757-T761 PolarHBondContact O-OG1 3.41Å; L758-T761 PolarHBondContact O-N 3.43Å |
| 762 | Y | 49.2 | Very low | 49.3 | Very low | 127 Ų | 127 | 101.4 Ų | 101.4 | 50% | 0.498 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -75.7 | -29.1 | 175.9 | -153.5 | -95.7 | 0 | 0 | 0 | 112.9 | L758 R759 D760 K768 | L758-Y762 WeakPolarHBondContact O-CB 3.32Å; L758-Y762 PolarHBondContact O-N 3.14Å; R759-Y762 PolarHBondContact O-N 3.33Å; D760-Y762 VanDerWaalsContact C-N 3.34Å; Y762-K768 HydrophobicContact CD1-CB 4.35Å; Y762-K768 HydrophobicContact CD1-CD 4Å; Y762-K768 HydrophobicContact CD2-CD 4.44Å; Y762-K768 HydrophobicContact CE1-CB 4.27Å; Y762-K768 HydrophobicContact CE1-CD 3.75Å; Y762-K768 HydrophobicContact CE1-CG 4.15Å; Y762-K768 HydrophobicContact CE2-CD 4.22Å; Y762-K768 HydrophobicContact CG-CD 4.34Å; Y762-K768 WeakPolarHBondContact O-CB 3.27Å |
| 763 | L | 49.7 | Very low | 49.8 | Very low | 51 Ų | 51 | 107.1 Ų | 107.1 | 27% | 0.267 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -82.2 | -10.8 | 179.4 | -74.8 | 169.1 | 0 | 0 | 0 | 114.9 | R759 D760 E765 Y772 | R759-L763 HydrophobicContact CG-CD1 3.76Å; R759-L763 WeakPolarHBondContact O-CB 3.44Å; R759-L763 WeakPolarHBondContact O-CD1 3.26Å; R759-L763 WeakPolarHBondContact O-CG 3.47Å; R759-L763 PolarHBondContact O-N 3.44Å; D760-L763 PolarHBondContact O-N 3.08Å; L763-E765 VanDerWaalsContact C-N 3.27Å; L763-E765 PolarHBondContact O-N 2.81Å; L763-Y772 HydrophobicContact CD2-CD1 3.95Å; L763-Y772 HydrophobicContact CD2-CG 3.99Å |
| 764 | R | 47.7 | Very low | 50.5 | Low | 196 Ų | 196 | 109.2 Ų | 109.2 | 74% | 0.74 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9.1 | -179.4 | -83.9 | 173.2 | -167.1 | -171 | 5.8 | 114.9 | D760 | D760-R764 VanDerWaalsContact O-CG 3.3Å; D760-R764 WeakPolarHBondContact O-CG 3.23Å; D760-R764 PolarHBondContact O-N 3.27Å |
| 765 | E | 47.8 | Very low | 50.9 | Low | 100 Ų | 100 | 107.8 Ų | 107.8 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -95.7 | 125.5 | 172.4 | -73.8 | -179.9 | -178.9 | 0 | 0 | 111 | L763 L767 K768 A769 | L763-E765 VanDerWaalsContact C-N 3.27Å; L763-E765 PolarHBondContact O-N 2.81Å; E765-L767 PolarHBondContact O-N 3.5Å; E765-L767 VanDerWaalsContact O-N 3.11Å; E765-K768 HydrophobicContact CB-CD 4.19Å; E765-K768 HydrophobicContact CB-CG 4.41Å; E765-K768 PolarHBondContact O-N 3.47Å; E765-K768 IonicContact OE1-NZ 3.51Å; E765-K768 WeakPolarHBondContact OE2-CD 3.46Å; E765-K768 WeakPolarHBondContact OE2-CE 3.38Å; E765-K768 IonicContact OE2-NZ 3.01Å; E765-K768 PolarHBondContact OE2-NZ 3.38Å; E765-A769 PolarHBondContact O-N 3.33Å |
| 766 | P | 45.1 | Very low | 51.2 | Low | 115 Ų | 115 | 109.3 Ų | 109.3 | 75% | 0.747 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.8 | -25.9 | -173.4 | 20.8 | -30.4 | 0 | 0 | 0 | 113.8 | ||
| 767 | L | 49.1 | Very low | 51.4 | Low | 145 Ų | 145 | 107.3 Ų | 107.3 | 76% | 0.759 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.7 | -27.5 | 175.9 | -83.5 | 149 | 0 | 0 | 0 | 113.5 | E765 | E765-L767 PolarHBondContact O-N 3.5Å; E765-L767 VanDerWaalsContact O-N 3.11Å |
| 768 | K | 53.3 | Low | 51.7 | Low | 55 Ų | 55 | 109 Ų | 109 | 24% | 0.239 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -89.2 | -23.9 | -175.8 | -71.1 | 174.7 | 176.5 | 155.1 | 0 | 113.2 | Y762 E765 E770 E771 Y772 | Y762-K768 HydrophobicContact CD1-CB 4.35Å; Y762-K768 HydrophobicContact CD1-CD 4Å; Y762-K768 HydrophobicContact CD2-CD 4.44Å; Y762-K768 HydrophobicContact CE1-CB 4.27Å; Y762-K768 HydrophobicContact CE1-CD 3.75Å; Y762-K768 HydrophobicContact CE1-CG 4.15Å; Y762-K768 HydrophobicContact CE2-CD 4.22Å; Y762-K768 HydrophobicContact CG-CD 4.34Å; Y762-K768 WeakPolarHBondContact O-CB 3.27Å; E765-K768 HydrophobicContact CB-CD 4.19Å; E765-K768 HydrophobicContact CB-CG 4.41Å; E765-K768 PolarHBondContact O-N 3.47Å; E765-K768 IonicContact OE1-NZ 3.51Å; E765-K768 WeakPolarHBondContact OE2-CD 3.46Å; E765-K768 WeakPolarHBondContact OE2-CE 3.38Å; E765-K768 IonicContact OE2-NZ 3.01Å; E765-K768 PolarHBondContact OE2-NZ 3.38Å; K768-E770 PolarHBondContact O-N 3.29Å; K768-E771 PolarHBondContact O-N 3.37Å; K768-Y772 PolarHBondContact O-N 3.16Å; K768-Y772 VanDerWaalsContact O-N 3.11Å |
| 769 | A | 49.6 | Very low | 51.6 | Low | 37 Ų | 37 | 105.5 Ų | 105.5 | 31% | 0.306 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -29.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E765 R773 | E765-A769 PolarHBondContact O-N 3.33Å; A769-R773 WeakPolarHBondContact O-CB 3.38Å; A769-R773 PolarHBondContact O-N 2.75Å; A769-R773 VanDerWaalsContact O-N 3.08Å |
| 770 | E | 55.1 | Low | 51.4 | Low | 140 Ų | 140 | 102.4 Ų | 102.4 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -75.1 | -42.5 | 178.5 | -131.6 | 176.1 | -174.7 | 0 | 0 | 112.1 | K768 R773 L774 | K768-E770 PolarHBondContact O-N 3.29Å; E770-R773 PolarHBondContact O-N 3.37Å; E770-L774 WeakPolarHBondContact O-CB 3.39Å; E770-L774 PolarHBondContact O-N 3.12Å |
| 771 | E | 54.2 | Low | 51.1 | Low | 126 Ų | 126 | 105.8 Ų | 105.8 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 173.1 | -78.6 | -171.2 | 145.8 | 0 | 0 | 112.3 | K768 L774 L775 | K768-E771 PolarHBondContact O-N 3.37Å; E771-L774 WeakPolarHBondContact O-CB 3.45Å; E771-L774 PolarHBondContact O-N 3.31Å; E771-L775 PolarHBondContact O-N 3.09Å |
| 772 | Y | 50.8 | Low | 50.8 | Low | 74 Ų | 74 | 106.1 Ų | 106.1 | 29% | 0.29 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 175.9 | -173.2 | -98.4 | 0 | 0 | 0 | 112 | L763 K768 L775 Q776 | L763-Y772 HydrophobicContact CD2-CD1 3.95Å; L763-Y772 HydrophobicContact CD2-CG 3.99Å; K768-Y772 PolarHBondContact O-N 3.16Å; K768-Y772 VanDerWaalsContact O-N 3.11Å; Y772-L775 PolarHBondContact O-N 3.18Å; Y772-Q776 HydrophobicContact CE1-CG 4.31Å; Y772-Q776 PolarHBondContact O-N 3.38Å |
| 773 | R | 56.6 | Low | 50.5 | Low | 186 Ų | 186 | 104.7 Ų | 104.7 | 70% | 0.702 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.7 | -40.5 | 171.2 | -89 | -178.1 | 172.7 | 169.5 | -0.2 | 112 | A769 E770 L775 Q776 V777 | A769-R773 WeakPolarHBondContact O-CB 3.38Å; A769-R773 PolarHBondContact O-N 2.75Å; A769-R773 VanDerWaalsContact O-N 3.08Å; E770-R773 PolarHBondContact O-N 3.37Å; R773-L775 VanDerWaalsContact C-N 3.33Å; R773-L775 PolarHBondContact O-N 3.21Å; R773-Q776 PolarHBondContact O-N 2.62Å; R773-V777 WeakPolarHBondContact O-CB 3.37Å; R773-V777 VanDerWaalsContact O-CG2 3.25Å; R773-V777 WeakPolarHBondContact O-CG2 3.49Å; R773-V777 PolarHBondContact O-N 2.98Å |
| 774 | L | 59.9 | Low | 49.7 | Very low | 111 Ų | 111 | 110.4 Ų | 110.4 | 58% | 0.581 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.5 | -38 | 179.2 | -136.9 | 96.7 | 0 | 0 | 0 | 112.1 | E770 E771 K778 | E770-L774 WeakPolarHBondContact O-CB 3.39Å; E770-L774 PolarHBondContact O-N 3.12Å; E771-L774 WeakPolarHBondContact O-CB 3.45Å; E771-L774 PolarHBondContact O-N 3.31Å; L774-K778 PolarHBondContact O-N 3.36Å; L774-K778 VanDerWaalsContact O-N 3.09Å |
| 775 | L | 53.5 | Low | 48.9 | Very low | 84 Ų | 84 | 112.1 Ų | 112.1 | 44% | 0.44 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.2 | -41.3 | 176.4 | -79 | 159.1 | 0 | 0 | 0 | 112.2 | E771 Y772 R773 K778 A779 | E771-L775 PolarHBondContact O-N 3.09Å; Y772-L775 PolarHBondContact O-N 3.18Å; R773-L775 VanDerWaalsContact C-N 3.33Å; R773-L775 PolarHBondContact O-N 3.21Å; L775-K778 PolarHBondContact O-N 2.95Å; L775-A779 PolarHBondContact O-N 3.15Å |
| 776 | Q | 52.1 | Low | 48.1 | Very low | 109 Ų | 109 | 116.1 Ų | 116.1 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.9 | -40.2 | 172.3 | -83.6 | -163.1 | -10 | 0 | 0 | 112.7 | Y772 R773 K778 A779 S780 | Y772-Q776 HydrophobicContact CE1-CG 4.31Å; Y772-Q776 PolarHBondContact O-N 3.38Å; R773-Q776 PolarHBondContact O-N 2.62Å; Q776-K778 VanDerWaalsContact C-N 3.31Å; Q776-K778 PolarHBondContact O-N 3.13Å; Q776-A779 PolarHBondContact O-N 3.17Å; Q776-S780 PolarHBondContact O-N 2.95Å; Q776-S780 PolarHBondContact O-OG 2.86Å |
| 777 | V | 55.1 | Low | 47.6 | Very low | 72 Ų | 72 | 116 Ų | 116 | 44% | 0.436 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.6 | -31.4 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | R773 S780 K781 | R773-V777 WeakPolarHBondContact O-CB 3.37Å; R773-V777 VanDerWaalsContact O-CG2 3.25Å; R773-V777 WeakPolarHBondContact O-CG2 3.49Å; R773-V777 PolarHBondContact O-N 2.98Å; V777-S780 PolarHBondContact O-OG 3.28Å; V777-K781 HydrophobicContact CG1-CD 4.29Å; V777-K781 WeakPolarHBondContact O-CB 3.47Å; V777-K781 VanDerWaalsContact O-CG 3.26Å; V777-K781 WeakPolarHBondContact O-CG 3.35Å; V777-K781 PolarHBondContact O-N 3.22Å; V777-K781 VanDerWaalsContact O-N 3.16Å |
| 778 | K | 53.1 | Low | 46.6 | Very low | 144 Ų | 144 | 116.1 Ų | 116.1 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71 | -41.1 | 172.5 | -82.2 | -179.7 | 176.5 | 177.1 | 0 | 112.2 | L774 L775 Q776 K781 S782 | L774-K778 PolarHBondContact O-N 3.36Å; L774-K778 VanDerWaalsContact O-N 3.09Å; L775-K778 PolarHBondContact O-N 2.95Å; Q776-K778 VanDerWaalsContact C-N 3.31Å; Q776-K778 PolarHBondContact O-N 3.13Å; K778-K781 PolarHBondContact O-N 2.99Å; K778-S782 PolarHBondContact O-N 3.12Å; K778-S782 VanDerWaalsContact O-N 3.13Å; K778-S782 PolarHBondContact O-OG 3.37Å |
| 779 | A | 46.6 | Very low | 45.4 | Very low | 51 Ų | 51 | 120.3 Ų | 120.3 | 42% | 0.421 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.5 | -39.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L775 Q776 S782 S783 | L775-A779 PolarHBondContact O-N 3.15Å; Q776-A779 PolarHBondContact O-N 3.17Å; A779-S782 WeakPolarHBondContact CA-OG 3.45Å; A779-S782 PolarHBondContact O-N 3.22Å; A779-S782 PolarHBondContact O-OG 3.44Å; A779-S783 PolarHBondContact O-N 2.93Å |
| 780 | S | 46.5 | Very low | 44.6 | Very low | 61 Ų | 61 | 124.4 Ų | 124.4 | 43% | 0.427 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -73.5 | -29.7 | 175.6 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | Q776 V777 S782 S783 | Q776-S780 PolarHBondContact O-N 2.95Å; Q776-S780 PolarHBondContact O-OG 2.86Å; V777-S780 PolarHBondContact O-OG 3.28Å; S780-S782 VanDerWaalsContact C-N 3.33Å; S780-S783 PolarHBondContact O-N 3.11Å; S780-S783 PolarHBondContact O-OG 3.09Å |
| 781 | K | 46.3 | Very low | 43.5 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 65% | 0.652 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.8 | -27.1 | 170.3 | -79.1 | -179 | 179.4 | -176.5 | 0 | 113.2 | V777 K778 | V777-K781 HydrophobicContact CG1-CD 4.29Å; V777-K781 WeakPolarHBondContact O-CB 3.47Å; V777-K781 VanDerWaalsContact O-CG 3.26Å; V777-K781 WeakPolarHBondContact O-CG 3.35Å; V777-K781 PolarHBondContact O-N 3.22Å; V777-K781 VanDerWaalsContact O-N 3.16Å; K778-K781 PolarHBondContact O-N 2.99Å |
| 782 | S | 45.8 | Very low | 42.4 | Very low | 94 Ų | 94 | 121.8 Ų | 121.8 | 66% | 0.657 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.1 | -22.1 | 172.7 | 46.5 | 0 | 0 | 0 | 0 | 113.8 | K778 A779 S780 | K778-S782 PolarHBondContact O-N 3.12Å; K778-S782 VanDerWaalsContact O-N 3.13Å; K778-S782 PolarHBondContact O-OG 3.37Å; A779-S782 WeakPolarHBondContact CA-OG 3.45Å; A779-S782 PolarHBondContact O-N 3.22Å; A779-S782 PolarHBondContact O-OG 3.44Å; S780-S782 VanDerWaalsContact C-N 3.33Å |
| 783 | S | 41.6 | Very low | 41.5 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -90.9 | -6.8 | 179.7 | 80.3 | 0 | 0 | 0 | 0 | 114.6 | A779 S780 | A779-S783 PolarHBondContact O-N 2.93Å; S780-S783 PolarHBondContact O-N 3.11Å; S780-S783 PolarHBondContact O-OG 3.09Å |
| 784 | Q | 33.8 | Very low | 40.3 | Very low | 171 Ų | 171 | 120.4 Ų | 120.4 | 80% | 0.799 | 68% | 0.678 | S | S | * | * | trans | -103.9 | 13.5 | -179.5 | -81.2 | -166.4 | -13.1 | 0 | 0 | 115.4 | Q786 | Q784-Q786 PolarHBondContact O-N 2.76Š| ||
| 785 | R | 31.9 | Very low | 38.9 | Very low | 232 Ų | 232 | 118.6 Ų | 118.6 | 88% | 0.875 | 69% | 0.687 | S | S | * | * | trans | -92.1 | 93.6 | 164.6 | -76.6 | -171 | 177.2 | -168.4 | -1.6 | 109.8 | ||||
| 786 | Q | 29.2 | Very low | 38.1 | Very low | 185 Ų | 185 | 120.1 Ų | 120.1 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | trans | -64.2 | 159.2 | 158.7 | -102.5 | -173.9 | -8.9 | 0 | 0 | 110.8 | Q784 | Q784-Q786 PolarHBondContact O-N 2.76Š| ||
| 787 | P | 34.5 | Very low | 37.1 | Very low | 113 Ų | 113 | 121.5 Ų | 121.5 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -95.6 | 136.2 | -155.1 | 36 | -31.1 | 0 | 0 | 0 | 112.7 | ||||
| 788 | D | 29 | Very low | 35.8 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -120.9 | 109.4 | 163.9 | -74.2 | -36.5 | 0 | 0 | 0 | 107.2 | ||||
| 789 | L | 28.2 | Very low | 34.8 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | 68 | 92.2 | 95.3 | -77.3 | 153.5 | 0 | 0 | 0 | 111.7 | |||||
| 790 | V | 33.4 | Very low | 33.8 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | 73.6 | 133.3 | 86 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 791 | P | 30.9 | Very low | 33 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | -145.3 | 150.3 | 67.7 | 36 | -13 | 0 | 0 | 0 | 120.8 | |||||
| 792 | A | 31.7 | Very low | 32.3 | Very low | 87 Ų | 87 | 130 Ų | 130 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | -70.9 | 149.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 793 | V | 31.6 | Very low | 31.5 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 92% | 0.915 | 77% | 0.773 | S | S | * | * | trans | -143 | 104.5 | 148.4 | -177 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 794 | G | 31.1 | Very low | 31 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | 114.6 | 130.7 | 63.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 795 | G | 31.4 | Very low | 30.7 | Very low | 73 Ų | 73 | 134.5 Ų | 134.5 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | cis | -170.8 | -158.2 | 5.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 796 | P | 36.5 | Very low | 30.4 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | -130.8 | -177.3 | -99.5 | 37.9 | -22 | 0 | 0 | 0 | 116.2 | |||||
| 797 | D | 31.2 | Very low | 30.3 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 117 | 103.5 | 153.5 | -60.6 | -21.4 | 0 | 0 | 0 | 116.7 | ||||
| 798 | V | 28.2 | Very low | 29.8 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | 83.5 | 117.1 | 67.1 | 166.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 799 | L | 30.7 | Very low | 30.2 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | cis | -160.4 | 143.1 | 41.8 | -84.3 | 136.2 | 0 | 0 | 0 | 110.7 | ||||
| 800 | I | 26 | Very low | 30 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | 48.3 | 113.1 | 100.5 | -45 | -175.6 | 0 | 0 | 0 | 112.9 | |||||
| 801 | T | 31 | Very low | 29.8 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | -165.4 | 140.1 | 82.7 | 44.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 802 | N | 30.9 | Very low | 29.5 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 62.4 | 104.7 | 138.4 | -58.8 | -7.7 | 0 | 0 | 0 | 122.5 | ||||
| 803 | E | 27.9 | Very low | 29.3 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | 50.8 | 156.7 | 115.3 | -90.8 | -156.2 | -176 | 0 | 0 | 122.4 | |||||
| 804 | P | 32.6 | Very low | 29 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | -135.4 | 175.2 | -60.1 | 32.2 | -10.8 | 0 | 0 | 0 | 111.7 | |||||
| 805 | L | 27.4 | Very low | 28.9 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -177.1 | 95.9 | 145.1 | -99.5 | 156.4 | 0 | 0 | 0 | 111.6 | ||||
| 806 | F | 25.9 | Very low | 28.6 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -99.6 | 153.9 | 141.6 | -86.6 | -67.9 | 0 | 0 | 0 | 104.8 | ||||
| 807 | R | 25.4 | Very low | 28.4 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | cis | -177.2 | 163.8 | 23.9 | -127.2 | 169.3 | -153.6 | -171.2 | 3.8 | 106.5 | ||||
| 808 | H | 25.4 | Very low | 28.2 | Very low | 180 Ų | 180 | 147.1 Ų | 147.1 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | trans | 173.7 | 170.5 | 131.3 | -94.6 | -53.3 | 0 | 0 | 0 | 108.3 | ||||
| 809 | P | 36.4 | Very low | 28.3 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | cis | -137.6 | 178 | 0.7 | 21 | 4.8 | 0 | 0 | 0 | 114.2 | ||||
| 810 | A | 24.1 | Very low | 28.2 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -152.9 | 147.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 811 | S | 28.6 | Very low | 28.2 | Very low | 117 Ų | 117 | 155.1 Ų | 155.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -121.9 | 154.9 | -174.4 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 812 | S | 25.8 | Very low | 28 | Very low | 112 Ų | 112 | 155.6 Ų | 155.6 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -174.6 | 119.7 | 148.4 | 20.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 813 | M | 26.5 | Very low | 27.8 | Very low | 185 Ų | 185 | 157 Ų | 157 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | 52.6 | 133.1 | 103.2 | -73.8 | -162.6 | -172.8 | 0 | 0 | 114 | |||||
| 814 | E | 25.9 | Very low | 27.8 | Very low | 171 Ų | 171 | 155.3 Ų | 155.3 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | cis | -153.9 | 169 | 46.1 | -67.2 | 174.3 | 148.9 | 0 | 0 | 109.2 | ||||
| 815 | Q | 28.8 | Very low | 27.4 | Very low | 173 Ų | 173 | 162.4 Ų | 162.4 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | -166.1 | 158.8 | 58.5 | -82.6 | -175.2 | -34.9 | 0 | 0 | 113.9 | |||||
| 816 | E | 26.5 | Very low | 27.5 | Very low | 174 Ų | 174 | 159.3 Ų | 159.3 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -30 | 145.1 | 170.3 | -64.6 | 171.9 | 131.5 | 0 | 0 | 120.7 | ||||
| 817 | N | 30.5 | Very low | 27.6 | Very low | 172 Ų | 172 | 154.8 Ų | 154.8 | 92% | 0.92 | 81% | 0.808 | S | S | * | * | -160 | 138.2 | 116 | -108.1 | -27.2 | 0 | 0 | 0 | 111.7 | |||||
| 818 | A | 27.4 | Very low | 27.6 | Very low | 89 Ų | 89 | 151.1 Ų | 151.1 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -96.4 | 150.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 819 | E | 30.1 | Very low | 27.7 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 71% | 0.71 | 80% | 0.804 | S | S | * | * | trans | -174.8 | 129.1 | 130.3 | -100.8 | -164.8 | 146.6 | 0 | 0 | 113.6 | ||||
| 820 | R | 29.3 | Very low | 27.2 | Very low | 207 Ų | 207 | 150.1 Ų | 150.1 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | 77.5 | 102.9 | 141.2 | -65 | 177.6 | -167.2 | -154.2 | 5.3 | 122.7 | ||||
| 821 | K | 25 | Very low | 27.4 | Very low | 204 Ų | 204 | 152.7 Ų | 152.7 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | 21.3 | 126.9 | 122.8 | -72.5 | -176.1 | 172 | -175.5 | 0 | 119.2 | |||||
| 822 | V | 28.5 | Very low | 27.3 | Very low | 129 Ų | 129 | 154 Ų | 154 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | -168 | 107.8 | 113.9 | 172.9 | 0 | 0 | 0 | 0 | 105.8 | |||||
| 823 | E | 25.7 | Very low | 27.5 | Very low | 173 Ų | 173 | 156.5 Ų | 156.5 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | 43.3 | 113.7 | 114 | -72.4 | 174.8 | 172.2 | 0 | 0 | 115.6 | |||||
| 824 | D | 28.6 | Very low | 27.7 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | -166.3 | 132.7 | 103.6 | -119 | -23.5 | 0 | 0 | 0 | 114 | |||||
| 825 | R | 24.4 | Very low | 27.8 | Very low | 246 Ų | 246 | 154.4 Ų | 154.4 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | trans | -129.7 | 116.5 | 157.8 | -94.5 | -172.8 | 174 | -176.4 | -1.1 | 104.3 | ||||
| 826 | S | 29.6 | Very low | 27.9 | Very low | 110 Ų | 110 | 152.7 Ų | 152.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -144.9 | 135.4 | 155.7 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 827 | A | 26.8 | Very low | 27.9 | Very low | 82 Ų | 82 | 151 Ų | 151 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -87.5 | 175.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 828 | T | 26.3 | Very low | 27.8 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | trans | 89.9 | 119.4 | 144.7 | 42.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 829 | L | 27.7 | Very low | 27.9 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 97.4 | 117.8 | 134.5 | -67.2 | 158.6 | 0 | 0 | 0 | 119.8 | ||||
| 830 | L | 25.4 | Very low | 27.7 | Very low | 135 Ų | 135 | 151.7 Ų | 151.7 | 71% | 0.707 | 78% | 0.775 | S | S | * | * | trans | 45.6 | 121.6 | 133.8 | -63.3 | 166.1 | 0 | 0 | 0 | 118.8 | ||||
| 831 | D | 28.7 | Very low | 27.7 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | -161.1 | 141.3 | 107.6 | -91.4 | -24.1 | 0 | 0 | 0 | 111.1 | |||||
| 832 | D | 26.3 | Very low | 27.8 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -57.3 | 153.1 | 168.3 | -68.8 | -55.3 | 0 | 0 | 0 | 111.9 | ||||
| 833 | E | 29.8 | Very low | 27.9 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | 167.2 | 133.3 | 117.6 | -102 | -168.3 | 174.5 | 0 | 0 | 114.9 | |||||
| 834 | F | 29.7 | Very low | 27.9 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 69% | 0.689 | 76% | 0.763 | S | S | * | * | trans | 60.8 | 110.5 | 154.8 | -73.3 | -88 | 0 | 0 | 0 | 121 | ||||
| 835 | N | 29.6 | Very low | 27.7 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | -170.9 | 140.7 | 80.6 | -127.7 | -10.3 | 0 | 0 | 0 | 113.3 | |||||
| 836 | L | 29.4 | Very low | 27.9 | Very low | 137 Ų | 137 | 138 Ų | 138 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | -88.2 | 145.9 | -174.2 | -87.5 | 139.5 | 0 | 0 | 0 | 113.7 | ||||
| 837 | D | 26.3 | Very low | 27.7 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 29.6 | 158.1 | 131.5 | -73.2 | -25.1 | 0 | 0 | 0 | 124.3 | ||||
| 838 | L | 29.1 | Very low | 27.8 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | 110.2 | 129.3 | 157.3 | -60.5 | 164.2 | 0 | 0 | 0 | 113.1 | ||||
| 839 | D | 30.4 | Very low | 27.8 | Very low | 127 Ų | 127 | 145 Ų | 145 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | cis | -163 | 151.5 | 19.4 | -109.1 | -33.9 | 0 | 0 | 0 | 112.9 | ||||
| 840 | N | 25.8 | Very low | 27.9 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -70.3 | 139.3 | 151.6 | -81.8 | -47.8 | 0 | 0 | 0 | 109.3 | ||||
| 841 | L | 29.1 | Very low | 28.2 | Very low | 153 Ų | 153 | 146.7 Ų | 146.7 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | -163 | 122.2 | 146.3 | -108.4 | 141.3 | 0 | 0 | 0 | 112.2 | V843 | L841-V843 HydrophobicContact CD2-CG2 4.04Š| ||
| 842 | D | 25.9 | Very low | 28.2 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | -91 | 125 | 169.3 | -172.8 | 15.9 | 0 | 0 | 0 | 108 | ||||
| 843 | V | 31.3 | Very low | 28.6 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | trans | -152.2 | 121.4 | 160.7 | -160.6 | 0 | 0 | 0 | 0 | 111.2 | L841 | L841-V843 HydrophobicContact CD2-CG2 4.04Š| ||
| 844 | S | 25 | Very low | 29 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | trans | -66.4 | 161.1 | 168.1 | 52.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 845 | N | 25 | Very low | 29.3 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 76.8 | 113.3 | 159.3 | -62.2 | -19.6 | 0 | 0 | 0 | 118.4 | ||||
| 846 | V | 28.6 | Very low | 29.2 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 92% | 0.915 | 79% | 0.789 | S | S | * | * | -153.8 | 127.7 | 120.8 | 175.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 847 | E | 25.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -91.3 | 152.6 | 171.3 | -104.1 | -177.6 | 173.6 | 0 | 0 | 111.5 | ||||
| 848 | L | 27.8 | Very low | 29.4 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | trans | 85.7 | 129.5 | 139.5 | -74.3 | 162.7 | 0 | 0 | 0 | 123.3 | ||||
| 849 | F | 27.1 | Very low | 29.4 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 67.1 | 121.9 | 150.4 | -73 | -68.8 | 0 | 0 | 0 | 120.5 | ||||
| 850 | D | 29.1 | Very low | 29.4 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | -177.5 | 162.5 | 82.3 | -111.4 | -19.9 | 0 | 0 | 0 | 115.3 | |||||
| 851 | E | 31.5 | Very low | 29.6 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -67.7 | 154.7 | -174.2 | -77.4 | 178.1 | 140.9 | 0 | 0 | 118.4 | ||||
| 852 | V | 29.4 | Very low | 29.6 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | 57.1 | 117.7 | 136.5 | -178.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 853 | S | 35.7 | Very low | 29.9 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -168.6 | 94 | 140.9 | 173.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 854 | A | 36.9 | Very low | 29.8 | Very low | 91 Ų | 91 | 149.2 Ų | 149.2 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | 69.4 | 84.7 | 95 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 855 | K | 35.8 | Very low | 30.2 | Very low | 285 Ų | 285 | 154.8 Ų | 154.8 | 100% | 1.239 | 83% | 0.825 | S | S | * | * | -167.3 | 0 | 128.4 | -118.9 | -179.1 | -175.1 | 179.9 | 0 | 112 |
Retrieved 855 of 855 residues in 964.2 ms
(Link to these results)