| 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 | 23.4 | Very low | 51.5 | Low | 233 Ų | 233 | 74.4 Ų | 74.4 | 100% | 1.148 | 41% | 0.411 | S | S | * | . | 0 | 104.1 | 0 | -76.8 | -179.1 | 159.9 | 0 | 0 | 106.9 | S3 | M1-S3 PolarHBondContact O-N 2.65Š| |||
| 2 | S | 28.7 | Very low | 53.4 | Low | 76 Ų | 76 | 72.7 Ų | 72.7 | 53% | 0.531 | 40% | 0.397 | S | S | . | . | trans | -82.6 | 79.7 | -177.8 | 48.5 | 0 | 0 | 0 | 0 | 110.1 | N4 | S2-N4 PolarHBondContact O-N 3.25Š| ||
| 3 | S | 32.9 | Very low | 55.1 | Low | 55 Ų | 55 | 74.3 Ų | 74.3 | 39% | 0.385 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 19.6 | -179.5 | 51.9 | 0 | 0 | 0 | 0 | 114.9 | M1 | M1-S3 PolarHBondContact O-N 2.65Š|
| 4 | N | 45.7 | Very low | 56.7 | Low | 33 Ų | 33 | 69.1 Ų | 69.1 | 18% | 0.176 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -0.3 | -166.2 | -83.3 | -24.7 | 0 | 0 | 0 | 115.4 | S2 V6 M257 | S2-N4 PolarHBondContact O-N 3.25Å; N4-V6 PolarHBondContact O-N 2.98Å; N4-M257 HydrophobicContact CB-CE 3.31Å; N4-M257 WeakPolarHBondContact ND2-CE 3.37Å |
| 5 | S | 54.5 | Low | 58.3 | Low | 43 Ų | 43 | 64.8 Ų | 64.8 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | trans | -77.9 | 109.2 | 161.8 | 58.9 | 0 | 0 | 0 | 0 | 108.4 | T7 E8 | S5-T7 WeakPolarHBondContact CB-OG1 3.16Å; S5-T7 PolarHBondContact O-N 3.18Å; S5-E8 PolarHBondContact O-N 2.61Å; S5-E8 WeakPolarHBondContact OG-CG 3.39Å | ||
| 6 | V | 57.8 | Low | 59.6 | Low | 12 Ų | 12 | 65.1 Ų | 65.1 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -23.5 | 172.8 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | N4 L126 Y130 | N4-V6 PolarHBondContact O-N 2.98Å; V6-L126 HydrophobicContact CG1-CB 4.42Å; V6-Y130 HydrophobicContact CG1-CD2 4.38Å; V6-Y130 HydrophobicContact CG1-CG 4.09Å; V6-Y130 HydrophobicContact CG2-CD1 4.04Å; V6-Y130 HydrophobicContact CG2-CD2 3.91Å; V6-Y130 HydrophobicContact CG2-CE1 4.39Å; V6-Y130 HydrophobicContact CG2-CE2 4.26Å; V6-Y130 HydrophobicContact CG2-CG 3.78Å |
| 7 | T | 56.9 | Low | 60.5 | Low | 76 Ų | 76 | 61.8 Ų | 61.8 | 47% | 0.466 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -22.2 | 179.3 | 56.4 | 0 | 0 | 0 | 0 | 116 | S5 L126 | S5-T7 WeakPolarHBondContact CB-OG1 3.16Å; S5-T7 PolarHBondContact O-N 3.18Å; T7-L126 HydrophobicContact CG2-CD1 3.82Å |
| 8 | E | 57 | Low | 61.3 | Low | 150 Ų | 150 | 59.9 Ų | 59.9 | 70% | 0.701 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -101.3 | -4.9 | -176.9 | -68.4 | -175.8 | 177.9 | 0 | 0 | 113.3 | S5 | S5-E8 PolarHBondContact O-N 2.61Å; S5-E8 WeakPolarHBondContact OG-CG 3.39Å |
| 9 | M | 67 | Low | 62.4 | Low | 31 Ų | 31 | 57.5 Ų | 57.5 | 15% | 0.153 | 31% | 0.305 | C | S | . | . | trans | -79.1 | 129.9 | -176.4 | -63.1 | -173.2 | 70.6 | 0 | 0 | 111.4 | Q13 L17 | M9-Q13 HydrophobicContact CE-CB 3.84Å; M9-L17 HydrophobicContact CE-CB 4.07Å; M9-L17 HydrophobicContact CE-CD2 3.79Å; M9-L17 HydrophobicContact SD-CD2 3.62Å | ||
| 10 | D | 71.2 | Confident | 63.7 | Low | 76 Ų | 76 | 55 Ų | 55 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | trans | -63.6 | 158 | 167.1 | 77.3 | 48.5 | 0 | 0 | 0 | 111 | E12 Q13 F14 | D10-E12 PolarHBondContact O-N 2.96Å; D10-E12 WeakPolarHBondContact OD1-CA 3.36Å; D10-E12 WeakPolarHBondContact OD1-CB 3.09Å; D10-E12 PolarHBondContact OD1-N 2.94Å; D10-Q13 PolarHBondContact O-N 3.43Å; D10-Q13 WeakPolarHBondContact OD1-CB 3.4Å; D10-Q13 WeakPolarHBondContact OD1-CG 3.3Å; D10-Q13 PolarHBondContact OD1-N 3.32Å; D10-Q13 VanDerWaalsContact OD2-CD 3.26Å; D10-Q13 WeakPolarHBondContact OD2-CG 3.44Å; D10-Q13 PolarHBondContact OD2-NE2 2.9Å; D10-F14 WeakPolarHBondContact O-CB 3.46Å; D10-F14 PolarHBondContact O-N 3.14Å | ||
| 11 | D | 71.8 | Confident | 65.1 | Low | 33 Ų | 33 | 52.3 Ų | 52.3 | 18% | 0.176 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -26.2 | -174.3 | -73.8 | -42.9 | 0 | 0 | 0 | 113.4 | L15 R129 S532 S536 | D11-L15 VanDerWaalsContact O-CG 3.27Å; D11-L15 WeakPolarHBondContact O-CG 3.16Å; D11-L15 PolarHBondContact O-N 3.29Å; D11-R129 IonicContact OD1-CZ 3.82Å; D11-R129 IonicContact OD1-NH1 3.86Å; D11-R129 PolarHBondContact OD1-NH1 3.19Å; D11-R129 IonicContact OD1-NH2 3.05Å; D11-R129 PolarHBondContact OD1-NH2 2.82Å; D11-S532 VanDerWaalsContact OD2-O 3.08Å; D11-S536 WeakPolarHBondContact OD2-CB 3.48Å |
| 12 | E | 74 | Confident | 68.4 | Low | 54 Ų | 54 | 41.4 Ų | 41.4 | 25% | 0.252 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -76.3 | -42.3 | 179.3 | -146.6 | 176.8 | -122 | 0 | 0 | 110.9 | D10 F14 L15 R16 R494 L495 | D10-E12 PolarHBondContact O-N 2.96Å; D10-E12 WeakPolarHBondContact OD1-CA 3.36Å; D10-E12 WeakPolarHBondContact OD1-CB 3.09Å; D10-E12 PolarHBondContact OD1-N 2.94Å; E12-F14 VanDerWaalsContact C-N 3.31Å; E12-L15 PolarHBondContact O-N 2.86Å; E12-R16 WeakPolarHBondContact O-CG 3.39Å; E12-R16 PolarHBondContact O-N 2.85Å; E12-R16 IonicContact OE2-NH2 2.83Å; E12-R16 PolarHBondContact OE2-NH2 3.41Å; E12-R494 IonicContact OE1-CZ 3.47Å; E12-R494 IonicContact OE1-NH1 3.84Å; E12-R494 PolarHBondContact OE1-NH1 3.48Å; E12-R494 IonicContact OE1-NH2 3.21Å; E12-L495 HydrophobicContact CG-CD2 3.4Å |
| 13 | Q | 75.5 | Confident | 71.5 | Confident | 94 Ų | 94 | 37.8 Ų | 37.8 | 44% | 0.439 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 170.2 | -69.1 | 177.5 | 30.5 | 0 | 0 | 111.2 | M9 D10 R16 L17 | M9-Q13 HydrophobicContact CE-CB 3.84Å; D10-Q13 PolarHBondContact O-N 3.43Å; D10-Q13 WeakPolarHBondContact OD1-CB 3.4Å; D10-Q13 WeakPolarHBondContact OD1-CG 3.3Å; D10-Q13 PolarHBondContact OD1-N 3.32Å; D10-Q13 VanDerWaalsContact OD2-CD 3.26Å; D10-Q13 WeakPolarHBondContact OD2-CG 3.44Å; D10-Q13 PolarHBondContact OD2-NE2 2.9Å; Q13-R16 PolarHBondContact O-N 2.97Å; Q13-L17 WeakPolarHBondContact O-CB 3.19Å; Q13-L17 PolarHBondContact O-N 3.06Å |
| 14 | F | 78 | Confident | 74.5 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 175.8 | 179.6 | -104.3 | 0 | 0 | 0 | 112 | D10 E12 L17 L18 R129 Y130 L133 | D10-F14 WeakPolarHBondContact O-CB 3.46Å; D10-F14 PolarHBondContact O-N 3.14Å; E12-F14 VanDerWaalsContact C-N 3.31Å; F14-L17 WeakPolarHBondContact O-CB 3.38Å; F14-L17 PolarHBondContact O-N 2.99Å; F14-L18 HydrophobicContact CD1-CD1 3.83Å; F14-L18 HydrophobicContact CE1-CD1 3.26Å; F14-L18 HydrophobicContact CE1-CG 4.2Å; F14-L18 HydrophobicContact CE2-CD1 4.26Å; F14-L18 HydrophobicContact CE2-CG 4.4Å; F14-L18 HydrophobicContact CZ-CD1 3.49Å; F14-L18 VanDerWaalsContact CZ-CD1 3.49Å; F14-L18 HydrophobicContact CZ-CD2 4.29Å; F14-L18 HydrophobicContact CZ-CG 4.07Å; F14-L18 WeakPolarHBondContact O-CG 3.42Å; F14-L18 PolarHBondContact O-N 3.49Å; F14-R129 HydrophobicContact CE1-CG 3.76Å; F14-R129 HydrophobicContact CE2-CG 4.39Å; F14-R129 HydrophobicContact CZ-CG 3.48Å; F14-R129 VanDerWaalsContact CZ-CG 3.48Å; F14-Y130 HydrophobicContact CE2-CD2 4.06Å; F14-L133 HydrophobicContact CE1-CD1 3.67Å; F14-L133 HydrophobicContact CZ-CD1 3.88Å |
| 15 | L | 79.5 | Confident | 76.8 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 174.5 | -74.2 | 172.7 | 0 | 0 | 0 | 112 | D11 E12 L17 L18 S19 L491 L495 L529 L533 | D11-L15 VanDerWaalsContact O-CG 3.27Å; D11-L15 WeakPolarHBondContact O-CG 3.16Å; D11-L15 PolarHBondContact O-N 3.29Å; E12-L15 PolarHBondContact O-N 2.86Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 2.62Å; L15-L18 PolarHBondContact O-N 2.64Å; L15-S19 WeakPolarHBondContact O-CB 3.46Å; L15-S19 PolarHBondContact O-N 3.28Å; L15-S19 VanDerWaalsContact O-N 3.13Å; L15-S19 PolarHBondContact O-OG 3.22Å; L15-L491 HydrophobicContact CD1-CD2 4.43Å; L15-L491 HydrophobicContact CD2-CD2 4.16Å; L15-L495 HydrophobicContact CB-CD1 4.46Å; L15-L495 HydrophobicContact CB-CD2 4.33Å; L15-L495 HydrophobicContact CD1-CD2 4.35Å; L15-L529 HydrophobicContact CD2-CD2 3.45Å; L15-L529 VanDerWaalsContact CD2-CD2 3.45Å; L15-L533 HydrophobicContact CD1-CD1 4.19Å; L15-L533 HydrophobicContact CD1-CD2 3.42Å; L15-L533 VanDerWaalsContact CD1-CD2 3.42Å; L15-L533 HydrophobicContact CD1-CG 3.97Å |
| 16 | R | 79.1 | Confident | 78.8 | Confident | 70 Ų | 70 | 31.6 Ų | 31.6 | 26% | 0.264 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 174.7 | -71 | -179.1 | -171 | 165.4 | 11.7 | 111.8 | E12 Q13 L18 S19 | E12-R16 WeakPolarHBondContact O-CG 3.39Å; E12-R16 PolarHBondContact O-N 2.85Å; E12-R16 IonicContact OE2-NH2 2.83Å; E12-R16 PolarHBondContact OE2-NH2 3.41Å; Q13-R16 PolarHBondContact O-N 2.97Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-L18 PolarHBondContact O-N 3.18Å; R16-S19 CarbonylContact O-C 3.56Å; R16-S19 PolarHBondContact O-N 2.79Å; R16-S19 VanDerWaalsContact O-N 3.09Å |
| 17 | L | 75.9 | Confident | 80.5 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.5 | -45.8 | 175.3 | 169.3 | 58.5 | 0 | 0 | 0 | 112 | M9 Q13 F14 L15 S19 S20 Y130 | M9-L17 HydrophobicContact CE-CB 4.07Å; M9-L17 HydrophobicContact CE-CD2 3.79Å; M9-L17 HydrophobicContact SD-CD2 3.62Å; Q13-L17 WeakPolarHBondContact O-CB 3.19Å; Q13-L17 PolarHBondContact O-N 3.06Å; F14-L17 WeakPolarHBondContact O-CB 3.38Å; F14-L17 PolarHBondContact O-N 2.99Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 2.62Å; L17-S19 PolarHBondContact O-N 3.24Å; L17-S20 PolarHBondContact O-N 2.87Å; L17-S20 PolarHBondContact O-OG 2.91Å; L17-Y130 HydrophobicContact CD2-CD2 4.29Å; L17-Y130 HydrophobicContact CD2-CE2 3.86Å; L17-Y130 HydrophobicContact CG-CE2 4.47Å |
| 18 | L | 75.1 | Confident | 82.3 | Confident | 29 Ų | 29 | 27.4 Ų | 27.4 | 15% | 0.152 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.5 | -17.3 | 178.7 | -67.4 | 172.8 | 0 | 0 | 0 | 113.9 | F14 L15 R16 L133 L529 | F14-L18 HydrophobicContact CD1-CD1 3.83Å; F14-L18 HydrophobicContact CE1-CD1 3.26Å; F14-L18 HydrophobicContact CE1-CG 4.2Å; F14-L18 HydrophobicContact CE2-CD1 4.26Å; F14-L18 HydrophobicContact CE2-CG 4.4Å; F14-L18 HydrophobicContact CZ-CD1 3.49Å; F14-L18 VanDerWaalsContact CZ-CD1 3.49Å; F14-L18 HydrophobicContact CZ-CD2 4.29Å; F14-L18 HydrophobicContact CZ-CG 4.07Å; F14-L18 WeakPolarHBondContact O-CG 3.42Å; F14-L18 PolarHBondContact O-N 3.49Å; L15-L18 PolarHBondContact O-N 2.64Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-L18 PolarHBondContact O-N 3.18Å; L18-L133 HydrophobicContact CD1-CB 3.66Å; L18-L133 HydrophobicContact CD1-CD1 3.34Å; L18-L133 HydrophobicContact CD1-CG 4.11Å; L18-L133 HydrophobicContact CD2-CB 3.5Å; L18-L133 HydrophobicContact CG-CB 4.2Å; L18-L529 HydrophobicContact CD1-CD2 4.37Å |
| 19 | S | 81 | Confident | 83.9 | Confident | 14 Ų | 14 | 24.8 Ų | 24.8 | 10% | 0.098 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 27.1 | -178.1 | -47 | 0 | 0 | 0 | 0 | 111.9 | L15 R16 L17 F454 L455 | L15-S19 WeakPolarHBondContact O-CB 3.46Å; L15-S19 PolarHBondContact O-N 3.28Å; L15-S19 VanDerWaalsContact O-N 3.13Å; L15-S19 PolarHBondContact O-OG 3.22Å; R16-S19 CarbonylContact O-C 3.56Å; R16-S19 PolarHBondContact O-N 2.79Å; R16-S19 VanDerWaalsContact O-N 3.09Å; L17-S19 PolarHBondContact O-N 3.24Å; S19-F454 WeakPolarHBondContact OG-CE1 3.18Å; S19-L455 WeakPolarHBondContact O-CD2 3.44Å |
| 20 | S | 88.7 | Confident | 85 | Confident | 6 Ų | 6 | 27.3 Ų | 27.3 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -76.6 | 132.2 | 179.1 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | L17 V22 R74 | L17-S20 PolarHBondContact O-N 2.87Å; L17-S20 PolarHBondContact O-OG 2.91Å; S20-V22 PolarHBondContact O-N 3.37Å; S20-R74 WeakPolarHBondContact CB-O 3.29Å; S20-R74 PolarHBondContact OG-O 2.89Å |
| 21 | P | 92.6 | Very high | 86 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -53.3 | 129.7 | 170 | -24.2 | 31.2 | 0 | 0 | 0 | 111.5 | L73 R74 I75 D76 V148 L455 F456 | P21-L73 HydrophobicContact CG-CD1 4.18Å; P21-R74 VanDerWaalsContact CD-O 3.3Å; P21-R74 WeakPolarHBondContact CD-O 3.18Å; P21-I75 HydrophobicContact CB-CD1 4.14Å; P21-I75 HydrophobicContact CG-CD1 4.1Å; P21-D76 PolarHBondContact O-N 3.31Å; P21-V148 HydrophobicContact CB-CG2 4.21Å; P21-L455 HydrophobicContact CG-CB 4.27Å; P21-F456 HydrophobicContact CB-CE2 4.5Å; P21-F456 HydrophobicContact CG-CE2 3.87Å; P21-F456 HydrophobicContact CG-CZ 3.99Å |
| 22 | V | 93.2 | Very high | 86.9 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.024 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128 | -179.5 | -166.2 | 0 | 0 | 0 | 0 | 109.9 | S20 D76 R78 F85 Y147 V148 | S20-V22 PolarHBondContact O-N 3.37Å; V22-D76 HydrophobicContact CG1-CB 4.45Å; V22-D76 HydrophobicContact CG2-CB 4.37Å; V22-R78 HydrophobicContact CG1-CG 4.3Å; V22-F85 HydrophobicContact CG2-CZ 4.34Å; V22-Y147 HydrophobicContact CB-CD1 4.22Å; V22-Y147 HydrophobicContact CG1-CD1 3.58Å; V22-Y147 HydrophobicContact CG1-CE1 3.43Å; V22-Y147 VanDerWaalsContact CG1-CE1 3.43Å; V22-Y147 WeakPolarHBondContact O-CA 3.45Å; V22-V148 PolarHBondContact O-N 3Å |
| 23 | V | 94.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.8 | 178.3 | 177 | 0 | 0 | 0 | 0 | 109.3 | I75 D76 F77 R78 L151 F358 | V23-I75 HydrophobicContact CB-CG2 4.13Å; V23-I75 HydrophobicContact CG2-CG2 3.65Å; V23-D76 PolarHBondContact N-O 3.12Å; V23-F77 HydrophobicContact CB-CD1 3.92Å; V23-F77 HydrophobicContact CB-CE1 4.06Å; V23-F77 HydrophobicContact CG1-CD1 3.97Å; V23-F77 HydrophobicContact CG1-CE1 3.95Å; V23-R78 PolarHBondContact O-N 2.88Å; V23-R78 VanDerWaalsContact O-N 3.07Å; V23-L151 HydrophobicContact CG1-CB 4.3Å; V23-F358 HydrophobicContact CG1-CZ 3.87Å; V23-F358 HydrophobicContact CG2-CE1 4.23Å; V23-F358 HydrophobicContact CG2-CZ 4.01Å |
| 24 | A | 94.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 142.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | R78 L80 Y147 G149 C150 L151 W197 | A24-R78 CarbonylContact C-O 3.6Å; A24-L80 HydrophobicContact CB-CB 4.46Å; A24-L80 HydrophobicContact CB-CD1 3.46Å; A24-L80 VanDerWaalsContact CB-CD1 3.46Å; A24-L80 HydrophobicContact CB-CG 4.44Å; A24-Y147 HydrophobicContact CB-CD1 3.64Å; A24-Y147 HydrophobicContact CB-CE1 3.93Å; A24-Y147 HydrophobicContact CB-CG 4.17Å; A24-G149 PolarHBondContact N-O 3.49Å; A24-C150 HydrophobicContact CB-CB 4.17Å; A24-C150 CarbonylContact O-C 3.58Å; A24-C150 VanDerWaalsContact O-CA 3.26Å; A24-C150 WeakPolarHBondContact O-CA 3.19Å; A24-L151 PolarHBondContact O-N 2.88Å; A24-W197 HydrophobicContact CB-CH2 3.83Å; A24-W197 HydrophobicContact CB-CZ3 4.21Å |
| 25 | V | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.8 | 174.7 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | F42 V43 F77 R78 D79 L80 L151 V153 | V25-F42 HydrophobicContact CG1-CD1 3.82Å; V25-F42 HydrophobicContact CG1-CE1 4.04Å; V25-V43 HydrophobicContact CB-CG2 3.71Å; V25-V43 HydrophobicContact CG1-CG2 3.83Å; V25-V43 HydrophobicContact CG2-CG2 3.97Å; V25-F77 HydrophobicContact CG2-CB 4.02Å; V25-F77 HydrophobicContact CG2-CD1 3.9Å; V25-F77 HydrophobicContact CG2-CG 4.41Å; V25-R78 PolarHBondContact N-O 2.88Å; V25-D79 WeakPolarHBondContact O-CA 3.27Å; V25-L80 PolarHBondContact O-N 3.32Å; V25-L151 WeakPolarHBondContact CA-O 3.41Å; V25-L151 HydrophobicContact CG1-CD2 4.44Å; V25-L151 HydrophobicContact CG2-CB 4.32Å; V25-L151 HydrophobicContact CG2-CD2 4.3Å; V25-V153 HydrophobicContact CG1-CG2 3.94Å |
| 26 | L | 95 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 102.1 | 170.3 | -77.7 | 172.1 | 0 | 0 | 0 | 108 | L80 R81 L151 F152 V153 L168 Q172 | L26-L80 HydrophobicContact CD1-CD2 4.23Å; L26-L80 HydrophobicContact CD2-CB 3.89Å; L26-L80 HydrophobicContact CD2-CD2 4.25Å; L26-L80 HydrophobicContact CG-CB 4.17Å; L26-L80 HydrophobicContact CG-CD2 4.29Å; L26-R81 HydrophobicContact CD2-CG 4.3Å; L26-L151 PolarHBondContact N-O 3.43Å; L26-F152 HydrophobicContact CB-CD1 4.32Å; L26-F152 HydrophobicContact CD1-CD1 4.47Å; L26-F152 HydrophobicContact CD1-CE1 4.06Å; L26-V153 PolarHBondContact O-N 3.34Å; L26-L168 HydrophobicContact CB-CD2 4.44Å; L26-Q172 HydrophobicContact CD1-CB 3.81Å |
| 27 | A | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F42 R81 V153 | A27-F42 HydrophobicContact CB-CB 4.44Å; A27-R81 PolarHBondContact O-NH1 3.02Å; A27-R81 PolarHBondContact O-NH2 3.35Å; A27-V153 CarbonylContact C-O 3.53Å; A27-V153 WeakPolarHBondContact CA-O 3.29Å; A27-V153 HydrophobicContact CB-CB 3.95Å; A27-V153 HydrophobicContact CB-CG1 4.5Å |
| 28 | S | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -57.2 | 153.8 | 167.9 | 60 | 0 | 0 | 0 | 0 | 112 | E30 A31 N32 V153 V154 E158 | S28-E30 VanDerWaalsContact C-N 3.29Å; S28-E30 PolarHBondContact O-N 3.22Å; S28-A31 PolarHBondContact O-N 3.18Å; S28-A31 WeakPolarHBondContact OG-CB 3.19Å; S28-A31 PolarHBondContact OG-N 3.5Å; S28-N32 PolarHBondContact O-N 3.03Å; S28-V153 PolarHBondContact N-O 3.1Å; S28-V153 PolarHBondContact OG-O 3.48Å; S28-V154 WeakPolarHBondContact OG-CA 3.2Å; S28-E158 WeakPolarHBondContact CB-OE1 3.48Å; S28-E158 PolarHBondContact OG-OE1 3.29Å | ||
| 29 | D | 90.9 | Very high | 90.7 | Very high | 95 Ų | 95 | 28.1 Ų | 28.1 | 51% | 0.508 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.6 | -37.7 | -179.7 | -52.7 | -53.5 | 0 | 0 | 0 | 111.7 | N32 E33 R81 R164 | D29-N32 PolarHBondContact O-N 2.92Å; D29-E33 WeakPolarHBondContact O-CB 3.4Å; D29-E33 PolarHBondContact O-N 3.36Å; D29-R81 IonicContact OD1-NH1 2.89Å; D29-R164 IonicContact OD2-NH2 3.04Å; D29-R164 PolarHBondContact OD2-NH2 3.03Å |
| 30 | E | 90.7 | Very high | 90.9 | Very high | 84 Ų | 84 | 28.2 Ų | 28.2 | 39% | 0.393 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -66.7 | -40.5 | 174.3 | -74.5 | -173.8 | -156.3 | 0 | 0 | 112.8 | S28 N32 E33 I34 S157 E158 | S28-E30 VanDerWaalsContact C-N 3.29Å; S28-E30 PolarHBondContact O-N 3.22Å; E30-N32 VanDerWaalsContact C-N 3.31Å; E30-N32 PolarHBondContact O-N 2.87Å; E30-E33 WeakPolarHBondContact O-CB 3.45Å; E30-E33 PolarHBondContact O-N 3.3Å; E30-I34 PolarHBondContact O-N 2.75Å; E30-S157 PolarHBondContact OE2-OG 3.35Å; E30-E158 HydrophobicContact CB-CG 4.19Å; E30-E158 HydrophobicContact CG-CG 4.35Å; E30-E158 WeakPolarHBondContact OE2-CA 3.44Å; E30-E158 VanDerWaalsContact OE2-CG 3.27Å; E30-E158 WeakPolarHBondContact OE2-CG 3.37Å; E30-E158 PolarHBondContact OE2-N 3.3Å |
| 31 | A | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S28 E33 I34 C35 V153 I209 | S28-A31 PolarHBondContact O-N 3.18Å; S28-A31 WeakPolarHBondContact OG-CB 3.19Å; S28-A31 PolarHBondContact OG-N 3.5Å; A31-E33 VanDerWaalsContact C-N 3.32Å; A31-E33 PolarHBondContact O-N 3.39Å; A31-I34 PolarHBondContact O-N 3.16Å; A31-C35 PolarHBondContact O-N 3.16Å; A31-C35 PolarHBondContact O-SG 3.2Å; A31-V153 HydrophobicContact CB-CG1 4.06Å; A31-I209 HydrophobicContact CB-CD1 4.27Å |
| 32 | N | 91.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.8 | -34.2 | 174.4 | -90.4 | -28.1 | 0 | 0 | 0 | 112.2 | S28 D29 E30 C35 R36 F42 R81 | S28-N32 PolarHBondContact O-N 3.03Å; D29-N32 PolarHBondContact O-N 2.92Å; E30-N32 VanDerWaalsContact C-N 3.31Å; E30-N32 PolarHBondContact O-N 2.87Å; N32-C35 PolarHBondContact O-N 2.9Å; N32-R36 VanDerWaalsContact O-CB 3.28Å; N32-R36 WeakPolarHBondContact O-CB 3.43Å; N32-R36 PolarHBondContact O-N 2.77Å; N32-F42 PolarHBondContact OD1-N 3.18Å; N32-F42 VanDerWaalsContact OD1-N 3.15Å; N32-R81 PolarHBondContact ND2-NH2 2.63Å |
| 33 | E | 89.8 | Confident | 90.8 | Very high | 98 Ų | 98 | 28.9 Ų | 28.9 | 46% | 0.458 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 176.7 | -172.2 | 59.1 | -157.6 | 0 | 0 | 112.3 | D29 E30 A31 C35 R36 K37 | D29-E33 WeakPolarHBondContact O-CB 3.4Å; D29-E33 PolarHBondContact O-N 3.36Å; E30-E33 WeakPolarHBondContact O-CB 3.45Å; E30-E33 PolarHBondContact O-N 3.3Å; A31-E33 VanDerWaalsContact C-N 3.32Å; A31-E33 PolarHBondContact O-N 3.39Å; E33-C35 VanDerWaalsContact C-N 3.32Å; E33-C35 PolarHBondContact O-N 3.24Å; E33-R36 PolarHBondContact O-N 2.86Å; E33-R36 IonicContact OE2-CZ 2.63Å; E33-R36 IonicContact OE2-NH1 3.87Å; E33-R36 PolarHBondContact OE2-NH1 2.88Å; E33-K37 PolarHBondContact O-N 2.89Å |
| 34 | I | 89.1 | Confident | 90.5 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 173.2 | -66.5 | 171.4 | 0 | 0 | 0 | 110.5 | E30 A31 R36 S155 I209 D211 | E30-I34 PolarHBondContact O-N 2.75Å; A31-I34 PolarHBondContact O-N 3.16Å; I34-R36 VanDerWaalsContact C-N 3.35Å; I34-S155 WeakPolarHBondContact CD1-OG 3.44Å; I34-I209 HydrophobicContact CB-CG2 4.41Å; I34-I209 HydrophobicContact CD1-CG2 4.1Å; I34-I209 HydrophobicContact CG2-CG2 4Å; I34-D211 HydrophobicContact CD1-CB 4.15Å; I34-D211 HydrophobicContact CG1-CB 4.44Å; I34-D211 HydrophobicContact CG2-CB 4.19Å |
| 35 | C | 90.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.6 | -37.2 | 177 | -63.3 | 0 | 0 | 0 | 0 | 112 | A31 N32 E33 K37 N38 L40 | A31-C35 PolarHBondContact O-N 3.16Å; A31-C35 PolarHBondContact O-SG 3.2Å; N32-C35 PolarHBondContact O-N 2.9Å; E33-C35 VanDerWaalsContact C-N 3.32Å; E33-C35 PolarHBondContact O-N 3.24Å; C35-K37 PolarHBondContact O-N 3Å; C35-N38 WeakPolarHBondContact O-CA 3.46Å; C35-N38 VanDerWaalsContact O-CB 3.27Å; C35-N38 WeakPolarHBondContact O-CB 3.31Å; C35-N38 PolarHBondContact O-N 3.17Å; C35-L40 CarbonylContact C-O 3.5Å; C35-L40 VanDerWaalsContact CB-O 3.26Å; C35-L40 WeakPolarHBondContact CB-O 3.2Å |
| 36 | R | 89.2 | Confident | 90.1 | Very high | 129 Ų | 129 | 30.7 Ų | 30.7 | 49% | 0.487 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.7 | -23.3 | -176.7 | -164 | 179.8 | -74.4 | 118.4 | -3.9 | 112.8 | N32 E33 I34 N38 G39 L40 | N32-R36 VanDerWaalsContact O-CB 3.28Å; N32-R36 WeakPolarHBondContact O-CB 3.43Å; N32-R36 PolarHBondContact O-N 2.77Å; E33-R36 PolarHBondContact O-N 2.86Å; E33-R36 IonicContact OE2-CZ 2.63Å; E33-R36 IonicContact OE2-NH1 3.87Å; E33-R36 PolarHBondContact OE2-NH1 2.88Å; I34-R36 VanDerWaalsContact C-N 3.35Å; R36-N38 PolarHBondContact O-N 3.25Å; R36-G39 WeakPolarHBondContact O-CA 3.27Å; R36-G39 PolarHBondContact O-N 3.1Å; R36-L40 WeakPolarHBondContact CA-O 3.33Å; R36-L40 PolarHBondContact N-O 3.44Å; R36-L40 VanDerWaalsContact N-O 3.16Å |
| 37 | K | 86.5 | Confident | 89.7 | Confident | 86 Ų | 86 | 33 Ų | 33 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.8 | 168.6 | -66.9 | 170.9 | 175.6 | -178.7 | 0 | 112.8 | E33 C35 D211 S241 | E33-K37 PolarHBondContact O-N 2.89Å; C35-K37 PolarHBondContact O-N 3Å; K37-D211 IonicContact NZ-OD2 2.84Å; K37-D211 PolarHBondContact NZ-OD2 2.83Å; K37-D211 VanDerWaalsContact NZ-OD2 3.1Å; K37-S241 VanDerWaalsContact CD-CB 3.47Å; K37-S241 PolarHBondContact NZ-OG 3.41Å |
| 38 | N | 86 | Confident | 89.3 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 4.3 | 171.2 | -77.4 | -73.6 | 0 | 0 | 0 | 114 | C35 R36 L40 N240 G340 C342 L343 | C35-N38 WeakPolarHBondContact O-CA 3.46Å; C35-N38 VanDerWaalsContact O-CB 3.27Å; C35-N38 WeakPolarHBondContact O-CB 3.31Å; C35-N38 PolarHBondContact O-N 3.17Å; R36-N38 PolarHBondContact O-N 3.25Å; N38-L40 VanDerWaalsContact C-N 3.32Å; N38-N240 PolarHBondContact ND2-O 3.18Å; N38-G340 PolarHBondContact O-N 2.56Å; N38-C342 WeakPolarHBondContact OD1-CA 3.14Å; N38-C342 WeakPolarHBondContact OD1-CB 3.38Å; N38-C342 PolarHBondContact OD1-N 2.86Å; N38-L343 PolarHBondContact OD1-N 3.11Å; N38-L343 VanDerWaalsContact OD1-N 3.17Å |
| 39 | G | 84.8 | Confident | 89 | Confident | 54 Ų | 54 | 34.6 Ų | 34.6 | 56% | 0.557 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 17 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | R36 | R36-G39 WeakPolarHBondContact O-CA 3.27Å; R36-G39 PolarHBondContact O-N 3.1Å |
| 40 | L | 86.9 | Confident | 88.9 | Confident | 16 Ų | 16 | 30.1 Ų | 30.1 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -135.3 | 146.1 | -173.1 | -65.6 | 165.7 | 0 | 0 | 0 | 110.7 | C35 R36 N38 D44 L45 W254 P339 | C35-L40 CarbonylContact C-O 3.5Å; C35-L40 VanDerWaalsContact CB-O 3.26Å; C35-L40 WeakPolarHBondContact CB-O 3.2Å; R36-L40 WeakPolarHBondContact CA-O 3.33Å; R36-L40 PolarHBondContact N-O 3.44Å; R36-L40 VanDerWaalsContact N-O 3.16Å; N38-L40 VanDerWaalsContact C-N 3.32Å; L40-D44 HydrophobicContact CB-CB 4.13Å; L40-D44 HydrophobicContact CD2-CB 3.8Å; L40-L45 HydrophobicContact CB-CB 4.43Å; L40-W254 HydrophobicContact CD1-CD2 3.65Å; L40-W254 VanDerWaalsContact CD1-CE2 3.41Å; L40-W254 HydrophobicContact CD1-CE3 4.19Å; L40-W254 HydrophobicContact CD1-CG 4.02Å; L40-W254 HydrophobicContact CD1-CH2 4.38Å; L40-W254 HydrophobicContact CD1-CZ2 3.82Å; L40-W254 HydrophobicContact CD2-CG 4.01Å; L40-P339 HydrophobicContact CD1-CB 4.27Å; L40-P339 HydrophobicContact CD2-CB 3.96Å; L40-P339 HydrophobicContact CG-CB 4.11Å |
| 41 | T | 88.6 | Confident | 88.7 | Confident | 25 Ų | 25 | 29 Ų | 29 | 15% | 0.153 | 15% | 0.148 | C | C | . | . | trans | -75.4 | 168.6 | 162.6 | 68.9 | 0 | 0 | 0 | 0 | 110.2 | V43 D44 L45 | T41-V43 VanDerWaalsContact C-N 3.26Å; T41-V43 PolarHBondContact O-N 3.33Å; T41-D44 WeakPolarHBondContact CB-OD2 3.44Å; T41-D44 WeakPolarHBondContact CG2-OD2 3.32Å; T41-D44 PolarHBondContact N-OD2 3.02Å; T41-D44 VanDerWaalsContact N-OD2 3.11Å; T41-D44 PolarHBondContact O-N 2.97Å; T41-D44 PolarHBondContact OG1-N 2.87Å; T41-D44 PolarHBondContact OG1-OD2 3.04Å; T41-L45 WeakPolarHBondContact O-CB 2.93Å; T41-L45 PolarHBondContact O-N 3.21Å | ||
| 42 | F | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58 | -39.8 | 176.9 | 176.2 | -101.4 | 0 | 0 | 0 | 112.7 | V25 A27 N32 L45 L46 L151 V153 L207 I209 L237 F354 | V25-F42 HydrophobicContact CG1-CD1 3.82Å; V25-F42 HydrophobicContact CG1-CE1 4.04Å; A27-F42 HydrophobicContact CB-CB 4.44Å; N32-F42 PolarHBondContact OD1-N 3.18Å; N32-F42 VanDerWaalsContact OD1-N 3.15Å; F42-L45 WeakPolarHBondContact O-CB 3.43Å; F42-L45 PolarHBondContact O-N 3.03Å; F42-L46 HydrophobicContact CD1-CD1 4.35Å; F42-L46 HydrophobicContact CE1-CD1 3.52Å; F42-L46 HydrophobicContact CE1-CG 4.2Å; F42-L46 HydrophobicContact CE2-CG 4.46Å; F42-L46 HydrophobicContact CZ-CD1 3.63Å; F42-L46 HydrophobicContact CZ-CD2 4.22Å; F42-L46 HydrophobicContact CZ-CG 4.03Å; F42-L46 PolarHBondContact O-N 3.1Å; F42-L151 HydrophobicContact CE1-CD2 3.75Å; F42-L151 HydrophobicContact CZ-CD2 4.18Å; F42-V153 HydrophobicContact CD1-CB 4.44Å; F42-V153 HydrophobicContact CD1-CG1 4.28Å; F42-V153 HydrophobicContact CD1-CG2 3.77Å; F42-V153 HydrophobicContact CD2-CG1 4.27Å; F42-V153 HydrophobicContact CE1-CG1 4.38Å; F42-V153 HydrophobicContact CE1-CG2 3.52Å; F42-V153 HydrophobicContact CE2-CG1 4.35Å; F42-V153 HydrophobicContact CG-CG1 4.21Å; F42-V153 HydrophobicContact CZ-CG1 4.41Å; F42-V153 HydrophobicContact CZ-CG2 4.08Å; F42-L207 HydrophobicContact CE1-CD2 4.14Å; F42-L207 HydrophobicContact CE2-CD2 3.53Å; F42-L207 HydrophobicContact CZ-CD2 3.2Å; F42-I209 HydrophobicContact CD2-CD1 3.39Å; F42-I209 HydrophobicContact CE2-CD1 3.74Å; F42-I209 HydrophobicContact CG-CD1 4.22Å; F42-L237 HydrophobicContact CE2-CD2 3.96Å; F42-F354 HydrophobicContact CZ-CE1 4.23Å |
| 43 | V | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68 | -42.2 | 178.2 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | V25 T41 L45 L46 K47 F77 D79 | V25-V43 HydrophobicContact CB-CG2 3.71Å; V25-V43 HydrophobicContact CG1-CG2 3.83Å; V25-V43 HydrophobicContact CG2-CG2 3.97Å; T41-V43 VanDerWaalsContact C-N 3.26Å; T41-V43 PolarHBondContact O-N 3.33Å; V43-L45 PolarHBondContact O-N 3.33Å; V43-L46 PolarHBondContact O-N 2.77Å; V43-L46 VanDerWaalsContact O-N 3.1Å; V43-K47 PolarHBondContact O-N 3.21Å; V43-F77 HydrophobicContact CG1-CB 4.35Å; V43-F77 WeakPolarHBondContact CG1-O 3.3Å; V43-D79 HydrophobicContact CG2-CB 3.92Å |
| 44 | D | 88.2 | Confident | 86 | Confident | 37 Ų | 37 | 35.2 Ų | 35.2 | 20% | 0.198 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -34.1 | 177.3 | -56 | -37.1 | 0 | 0 | 0 | 111.4 | L40 T41 L46 K47 R82 W254 | L40-D44 HydrophobicContact CB-CB 4.13Å; L40-D44 HydrophobicContact CD2-CB 3.8Å; T41-D44 WeakPolarHBondContact CB-OD2 3.44Å; T41-D44 WeakPolarHBondContact CG2-OD2 3.32Å; T41-D44 PolarHBondContact N-OD2 3.02Å; T41-D44 VanDerWaalsContact N-OD2 3.11Å; T41-D44 PolarHBondContact O-N 2.97Å; T41-D44 PolarHBondContact OG1-N 2.87Å; T41-D44 PolarHBondContact OG1-OD2 3.04Å; D44-L46 VanDerWaalsContact C-N 3.31Å; D44-L46 PolarHBondContact O-N 2.83Å; D44-K47 PolarHBondContact O-N 3.06Å; D44-R82 IonicContact OD1-CZ 3.49Å; D44-R82 IonicContact OD1-NH1 3.61Å; D44-R82 IonicContact OD1-NH2 3.09Å; D44-R82 PolarHBondContact OD1-NH2 2.94Å; D44-R82 IonicContact OD2-CZ 3.51Å; D44-R82 IonicContact OD2-NH1 2.76Å; D44-R82 PolarHBondContact OD2-NH1 2.84Å; D44-R82 IonicContact OD2-NH2 3.3Å; D44-W254 PolarHBondContact O-NE1 3.08Å |
| 45 | L | 90 | Very high | 84.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.3 | -27.7 | 178.6 | -166 | 136.5 | 0 | 0 | 0 | 112.9 | L40 T41 F42 V43 F49 I239 L343 L351 | L40-L45 HydrophobicContact CB-CB 4.43Å; T41-L45 WeakPolarHBondContact O-CB 2.93Å; T41-L45 PolarHBondContact O-N 3.21Å; F42-L45 WeakPolarHBondContact O-CB 3.43Å; F42-L45 PolarHBondContact O-N 3.03Å; V43-L45 PolarHBondContact O-N 3.33Å; L45-F49 WeakPolarHBondContact O-CD2 3.4Å; L45-F49 WeakPolarHBondContact O-CE2 3.31Å; L45-I239 HydrophobicContact CD2-CD1 4.11Å; L45-L343 HydrophobicContact CD1-CD1 4.34Å; L45-L343 HydrophobicContact CD1-CD2 4.43Å; L45-L351 HydrophobicContact CD2-CD1 3.39Å; L45-L351 HydrophobicContact CD2-CD2 3.25Å; L45-L351 HydrophobicContact CD2-CG 3.92Å; L45-L351 HydrophobicContact CG-CD1 4.17Å |
| 46 | L | 91.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -83.7 | -22.9 | 175.5 | -65.3 | -179 | 0 | 0 | 0 | 114 | F42 V43 D44 P48 F49 E50 F77 L351 F354 V355 | F42-L46 HydrophobicContact CD1-CD1 4.35Å; F42-L46 HydrophobicContact CE1-CD1 3.52Å; F42-L46 HydrophobicContact CE1-CG 4.2Å; F42-L46 HydrophobicContact CE2-CG 4.46Å; F42-L46 HydrophobicContact CZ-CD1 3.63Å; F42-L46 HydrophobicContact CZ-CD2 4.22Å; F42-L46 HydrophobicContact CZ-CG 4.03Å; F42-L46 PolarHBondContact O-N 3.1Å; V43-L46 PolarHBondContact O-N 2.77Å; V43-L46 VanDerWaalsContact O-N 3.1Å; D44-L46 VanDerWaalsContact C-N 3.31Å; D44-L46 PolarHBondContact O-N 2.83Å; L46-P48 VanDerWaalsContact C-CD 3.47Å; L46-F49 CarbonylContact O-C 3.48Å; L46-F49 WeakPolarHBondContact O-CA 3.39Å; L46-F49 PolarHBondContact O-N 2.88Å; L46-E50 PolarHBondContact O-N 2.85Å; L46-F77 HydrophobicContact CB-CD2 4.22Å; L46-F77 HydrophobicContact CD1-CB 4.48Å; L46-F77 HydrophobicContact CD1-CD1 4.28Å; L46-F77 HydrophobicContact CD1-CD2 3.93Å; L46-F77 HydrophobicContact CD1-CE2 4.2Å; L46-F77 HydrophobicContact CD1-CG 3.98Å; L46-F77 HydrophobicContact CD1-CZ 4.48Å; L46-L351 HydrophobicContact CD2-CD2 4.18Å; L46-F354 HydrophobicContact CD1-CE1 4.05Å; L46-F354 HydrophobicContact CD2-CD1 3.89Å; L46-F354 HydrophobicContact CD2-CE1 3.82Å; L46-V355 HydrophobicContact CD2-CG2 4.06Å |
| 47 | K | 86.9 | Confident | 81.4 | Confident | 48 Ų | 48 | 42.9 Ų | 42.9 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -47.9 | -45.8 | -171.8 | -77 | -77.3 | 164.8 | -149 | 0 | 114.7 | V43 D44 F49 E50 D76 F77 M257 | V43-K47 PolarHBondContact O-N 3.21Å; D44-K47 PolarHBondContact O-N 3.06Å; K47-F49 PolarHBondContact O-N 2.82Å; K47-E50 WeakPolarHBondContact CD-OE1 3.41Å; K47-E50 IonicContact NZ-OE1 3.35Å; K47-E50 PolarHBondContact NZ-OE1 3.46Å; K47-E50 WeakPolarHBondContact O-CG 3.25Å; K47-D76 IonicContact NZ-OD1 3.86Å; K47-F77 PolarHBondContact NZ-O 3.21Å; K47-M257 HydrophobicContact CB-SD 4.23Å |
| 48 | P | 85.3 | Confident | 81 | Confident | 25 Ų | 25 | 39.2 Ų | 39.2 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -69.7 | -18.5 | -179.9 | -18.9 | 33.1 | 0 | 0 | 0 | 114.4 | L46 Y253 W254 | L46-P48 VanDerWaalsContact C-CD 3.47Å; P48-Y253 HydrophobicContact CB-CD1 4.45Å; P48-Y253 HydrophobicContact CB-CG 4.4Å; P48-W254 HydrophobicContact CG-CD2 4.24Å; P48-W254 HydrophobicContact CG-CG 4.26Å; P48-W254 HydrophobicContact CG-CZ2 4.19Å |
| 49 | F | 88 | Confident | 81.1 | Confident | 10 Ų | 10 | 42 Ų | 42 | 4% | 0.044 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -108.4 | 9.8 | -173.2 | -46.1 | -61.9 | 0 | 0 | 0 | 112.6 | L45 L46 K47 Q51 Y253 W254 V348 L351 K352 V355 | L45-F49 WeakPolarHBondContact O-CD2 3.4Å; L45-F49 WeakPolarHBondContact O-CE2 3.31Å; L46-F49 CarbonylContact O-C 3.48Å; L46-F49 WeakPolarHBondContact O-CA 3.39Å; L46-F49 PolarHBondContact O-N 2.88Å; K47-F49 PolarHBondContact O-N 2.82Å; F49-Q51 PolarHBondContact O-N 2.96Å; F49-Y253 HydrophobicContact CZ-CD2 4.4Å; F49-W254 HydrophobicContact CE2-CZ2 4.19Å; F49-V348 HydrophobicContact CE1-CG1 3.68Å; F49-V348 HydrophobicContact CZ-CB 4.41Å; F49-V348 HydrophobicContact CZ-CG1 3.73Å; F49-V348 HydrophobicContact CZ-CG2 4.13Å; F49-L351 HydrophobicContact CD2-CB 3.99Å; F49-L351 HydrophobicContact CD2-CD1 4.21Å; F49-L351 HydrophobicContact CE2-CB 4.14Å; F49-L351 HydrophobicContact CE2-CD1 3.69Å; F49-K352 HydrophobicContact CD1-CD 4.49Å; F49-K352 HydrophobicContact CD1-CG 3.81Å; F49-K352 HydrophobicContact CE1-CG 4.34Å; F49-K352 HydrophobicContact CG-CG 4.37Å; F49-V355 HydrophobicContact CB-CG2 4.44Å |
| 50 | E | 88.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -61 | -29 | 177.9 | -76.7 | -175.1 | 162.6 | 0 | 0 | 113.2 | L46 K47 R74 I75 F77 | L46-E50 PolarHBondContact O-N 2.85Å; K47-E50 WeakPolarHBondContact CD-OE1 3.41Å; K47-E50 IonicContact NZ-OE1 3.35Å; K47-E50 PolarHBondContact NZ-OE1 3.46Å; K47-E50 WeakPolarHBondContact O-CG 3.25Å; E50-R74 HydrophobicContact CB-CG 3.97Å; E50-R74 CarbonylContact O-C 2.93Å; E50-R74 VanDerWaalsContact O-CA 3.26Å; E50-R74 WeakPolarHBondContact O-CA 3.38Å; E50-R74 IonicContact OE2-CZ 3.74Å; E50-R74 IonicContact OE2-NE 2.68Å; E50-R74 PolarHBondContact OE2-NE 3.27Å; E50-R74 IonicContact OE2-NH2 3.46Å; E50-R74 PolarHBondContact OE2-NH2 2.85Å; E50-I75 VanDerWaalsContact CB-O 3.24Å; E50-I75 WeakPolarHBondContact CB-O 3.44Å; E50-I75 WeakPolarHBondContact CG-O 3.38Å; E50-I75 PolarHBondContact O-N 2.96Å; E50-F77 HydrophobicContact CG-CD2 4.14Å; E50-F77 PolarHBondContact OE1-N 3.37Å |
| 51 | Q | 85.9 | Confident | 81.4 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -94.5 | 124.3 | 179.3 | -176.3 | 175.9 | -6.6 | 0 | 0 | 110.4 | F49 E53 N72 R74 | F49-Q51 PolarHBondContact O-N 2.96Å; Q51-E53 PolarHBondContact O-N 3.14Å; Q51-N72 HydrophobicContact CG-CB 4.47Å; Q51-R74 HydrophobicContact CB-CB 4.45Å; Q51-R74 HydrophobicContact CB-CG 4.32Å |
| 52 | L | 81.7 | Confident | 81.3 | Confident | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | trans | -81.5 | 115.1 | 177.2 | -66.5 | 152.8 | 0 | 0 | 0 | 109.3 | F58 L73 V355 N356 C359 | L52-F58 HydrophobicContact CB-CD2 4.44Å; L52-F58 HydrophobicContact CB-CE2 4Å; L52-F58 HydrophobicContact CD1-CD2 4.27Å; L52-F58 HydrophobicContact CD1-CE1 4.15Å; L52-F58 HydrophobicContact CD1-CE2 3.76Å; L52-F58 HydrophobicContact CD1-CZ 3.69Å; L52-F58 HydrophobicContact CD2-CE2 3.81Å; L52-F58 HydrophobicContact CD2-CZ 3.79Å; L52-F58 HydrophobicContact CG-CE2 4.07Å; L52-F58 HydrophobicContact CG-CZ 4.24Å; L52-L73 WeakPolarHBondContact CB-O 3.29Å; L52-L73 HydrophobicContact CD1-CB 3.99Å; L52-L73 HydrophobicContact CD1-CD2 4.24Å; L52-L73 HydrophobicContact CD1-CG 4.27Å; L52-L73 PolarHBondContact N-O 2.97Å; L52-V355 HydrophobicContact CD2-CG1 4.18Å; L52-N356 HydrophobicContact CD2-CB 4.05Å; L52-C359 HydrophobicContact CD1-CB 4.05Å | ||
| 53 | E | 69.1 | Low | 80.9 | Confident | 123 Ų | 123 | 44.2 Ų | 44.2 | 58% | 0.575 | 24% | 0.244 | S | C | * | . | trans | -82.6 | -15.1 | -173.1 | -64.1 | -180 | 136.8 | 0 | 0 | 113.9 | Q51 K55 K352 | Q51-E53 PolarHBondContact O-N 3.14Å; E53-K55 PolarHBondContact O-N 2.93Å; E53-K352 IonicContact OE2-NZ 3.84Å; E53-K352 PolarHBondContact OE2-NZ 3.3Å | ||
| 54 | D | 65.4 | Low | 80.6 | Confident | 105 Ų | 105 | 49.9 Ų | 49.9 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | trans | -76.7 | 98.1 | -175.3 | -81.9 | -28.8 | 0 | 0 | 0 | 112.5 | G56 A57 | D54-G56 PolarHBondContact O-N 3.43Å; D54-G56 VanDerWaalsContact O-N 3.13Å; D54-A57 HydrophobicContact CB-CB 3.69Å; D54-A57 PolarHBondContact O-N 3.28Å | ||
| 55 | K | 55.2 | Low | 80.4 | Confident | 181 Ų | 181 | 50.2 Ų | 50.2 | 79% | 0.787 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 114.2 | 171.3 | -71.5 | -176.1 | 176.9 | -179.9 | 0 | 110.3 | E53 | E53-K55 PolarHBondContact O-N 2.93Š|
| 56 | G | 57 | Low | 80.3 | Confident | 67 Ų | 67 | 56.5 Ų | 56.5 | 69% | 0.691 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | -0.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | D54 | D54-G56 PolarHBondContact O-N 3.43Å; D54-G56 VanDerWaalsContact O-N 3.13Å |
| 57 | A | 61.2 | Low | 80.2 | Confident | 51 Ų | 51 | 60 Ų | 60 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | trans | -78.7 | -18.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D54 | D54-A57 HydrophobicContact CB-CB 3.69Å; D54-A57 PolarHBondContact O-N 3.28Å | ||
| 58 | F | 78 | Confident | 80.3 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 4% | 0.044 | 33% | 0.332 | C | S | . | . | trans | -117.8 | 105.8 | -173.2 | -72.4 | -86.9 | 0 | 0 | 0 | 111.3 | L52 V70 C359 T360 V364 | L52-F58 HydrophobicContact CB-CD2 4.44Å; L52-F58 HydrophobicContact CB-CE2 4Å; L52-F58 HydrophobicContact CD1-CD2 4.27Å; L52-F58 HydrophobicContact CD1-CE1 4.15Å; L52-F58 HydrophobicContact CD1-CE2 3.76Å; L52-F58 HydrophobicContact CD1-CZ 3.69Å; L52-F58 HydrophobicContact CD2-CE2 3.81Å; L52-F58 HydrophobicContact CD2-CZ 3.79Å; L52-F58 HydrophobicContact CG-CE2 4.07Å; L52-F58 HydrophobicContact CG-CZ 4.24Å; F58-V70 HydrophobicContact CB-CB 4.35Å; F58-V70 PolarHBondContact O-N 3.17Å; F58-C359 HydrophobicContact CD1-CB 4.34Å; F58-C359 HydrophobicContact CE1-CB 3.38Å; F58-C359 HydrophobicContact CZ-CB 3.86Å; F58-T360 HydrophobicContact CD1-CG2 3.88Å; F58-T360 HydrophobicContact CE1-CG2 3.16Å; F58-T360 HydrophobicContact CE2-CG2 4.32Å; F58-T360 HydrophobicContact CZ-CG2 3.43Å; F58-T360 VanDerWaalsContact CZ-CG2 3.43Å; F58-V364 HydrophobicContact CD1-CG2 4.28Å | ||
| 59 | S | 86.6 | Confident | 80.4 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 155.5 | 168.6 | 68.3 | 0 | 0 | 0 | 0 | 110.5 | V68 D69 | S59-V68 WeakPolarHBondContact CA-O 3.44Å; S59-V68 WeakPolarHBondContact CB-O 3.49Å; S59-D69 VanDerWaalsContact CB-OD1 3.27Å; S59-D69 WeakPolarHBondContact CB-OD1 3.22Å |
| 60 | Y | 89.5 | Confident | 80.3 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 163.4 | 179.6 | 77.7 | -91.5 | 0 | 0 | 0 | 110.7 | T67 V68 V70 E368 L371 F456 H458 | Y60-T67 CarbonylContact O-C 3.56Å; Y60-T67 WeakPolarHBondContact O-CA 3.5Å; Y60-V68 HydrophobicContact CD1-CB 4.06Å; Y60-V68 HydrophobicContact CD1-CG1 4.39Å; Y60-V68 HydrophobicContact CE1-CB 3.63Å; Y60-V68 HydrophobicContact CE1-CG1 3.62Å; Y60-V68 HydrophobicContact CE1-CG2 4.44Å; Y60-V68 HydrophobicContact CE2-CB 4.27Å; Y60-V68 HydrophobicContact CE2-CG2 4.31Å; Y60-V68 PolarHBondContact N-O 3.03Å; Y60-V68 PolarHBondContact O-N 3.32Å; Y60-V70 HydrophobicContact CD1-CG2 3.71Å; Y60-V70 HydrophobicContact CE1-CG2 3.79Å; Y60-E368 WeakPolarHBondContact CA-OE1 3.44Å; Y60-E368 VanDerWaalsContact CB-OE1 3.29Å; Y60-E368 WeakPolarHBondContact CB-OE1 3.45Å; Y60-E368 HydrophobicContact CD2-CG 4Å; Y60-E368 HydrophobicContact CG-CG 4.28Å; Y60-L371 HydrophobicContact CD2-CD1 4.07Å; Y60-L371 HydrophobicContact CE2-CD1 3.27Å; Y60-F456 HydrophobicContact CE1-CB 3.77Å; Y60-F456 WeakPolarHBondContact CE1-O 3.03Å; Y60-H458 WeakPolarHBondContact OH-CB 3.42Å |
| 61 | K | 88.8 | Confident | 80 | Confident | 104 Ų | 104 | 66.1 Ų | 66.1 | 45% | 0.452 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.2 | 176.7 | -65.3 | -59.3 | -168.3 | 172.3 | 0 | 110.9 | G65 Q66 T67 E368 | K61-G65 WeakPolarHBondContact CD-O 3.33Å; K61-G65 PolarHBondContact NZ-O 3.44Å; K61-Q66 WeakPolarHBondContact CA-O 3.49Å; K61-T67 PolarHBondContact NZ-OG1 3.05Å; K61-E368 PolarHBondContact N-OE1 3.46Å |
| 62 | D | 86.9 | Confident | 79.7 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 5% | 0.048 | 37% | 0.373 | C | S | . | . | trans | -64.6 | 169.8 | 170.8 | 94 | -32.9 | 0 | 0 | 0 | 110.8 | N64 G65 Q66 V68 H458 | D62-N64 PolarHBondContact O-N 2.97Å; D62-N64 VanDerWaalsContact OD1-CA 3.3Å; D62-N64 WeakPolarHBondContact OD1-CA 3.38Å; D62-N64 WeakPolarHBondContact OD1-CB 3.45Å; D62-N64 PolarHBondContact OD1-N 3.17Å; D62-N64 PolarHBondContact OD2-ND2 2.92Å; D62-G65 PolarHBondContact O-N 2.94Å; D62-G65 PolarHBondContact OD1-N 3.47Å; D62-Q66 PolarHBondContact N-O 3.47Å; D62-Q66 WeakPolarHBondContact OD1-CA 3.33Å; D62-Q66 WeakPolarHBondContact OD1-CB 3.44Å; D62-Q66 PolarHBondContact OD1-N 3.43Å; D62-V68 HydrophobicContact CB-CG2 3.91Å; D62-H458 IonicContact OD2-NE2 3.24Å | ||
| 63 | P | 83.4 | Confident | 79.9 | Confident | 26 Ų | 26 | 65.7 Ų | 65.7 | 17% | 0.169 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -20 | 177.6 | -25.8 | 35.6 | 0 | 0 | 0 | 115 | L371 N375 | P63-L371 HydrophobicContact CG-CB 4.34Å; P63-N375 HydrophobicContact CB-CB 3.57Å; P63-N375 VanDerWaalsContact CB-CG 3.44Å; P63-N375 WeakPolarHBondContact CB-ND2 3.34Å; P63-N375 HydrophobicContact CG-CB 3.57Å |
| 64 | N | 85 | Confident | 80.8 | Confident | 118 Ų | 118 | 61 Ų | 61 | 63% | 0.631 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 0.9 | 177.4 | -52.2 | -60.6 | 0 | 0 | 0 | 113.1 | D62 | D62-N64 PolarHBondContact O-N 2.97Å; D62-N64 VanDerWaalsContact OD1-CA 3.3Å; D62-N64 WeakPolarHBondContact OD1-CA 3.38Å; D62-N64 WeakPolarHBondContact OD1-CB 3.45Å; D62-N64 PolarHBondContact OD1-N 3.17Å; D62-N64 PolarHBondContact OD2-ND2 2.92Å |
| 65 | G | 84.6 | Confident | 82 | Confident | 44 Ų | 44 | 56 Ų | 56 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 82.7 | 5.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K61 D62 | K61-G65 WeakPolarHBondContact CD-O 3.33Å; K61-G65 PolarHBondContact NZ-O 3.44Å; D62-G65 PolarHBondContact O-N 2.94Å; D62-G65 PolarHBondContact OD1-N 3.47Å |
| 66 | Q | 88.5 | Confident | 83.7 | Confident | 133 Ų | 133 | 47.6 Ų | 47.6 | 62% | 0.621 | 29% | 0.285 | S | S | * | . | trans | -73.9 | 141.1 | 171.8 | -63.3 | -169.3 | 6 | 0 | 0 | 110.7 | K61 D62 | K61-Q66 WeakPolarHBondContact CA-O 3.49Å; D62-Q66 PolarHBondContact N-O 3.47Å; D62-Q66 WeakPolarHBondContact OD1-CA 3.33Å; D62-Q66 WeakPolarHBondContact OD1-CB 3.44Å; D62-Q66 PolarHBondContact OD1-N 3.43Å | ||
| 67 | T | 89.6 | Confident | 85.4 | Confident | 74 Ų | 74 | 44.4 Ų | 44.4 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 127.9 | 174.3 | -54.9 | 0 | 0 | 0 | 0 | 109.3 | Y60 K61 | Y60-T67 CarbonylContact O-C 3.56Å; Y60-T67 WeakPolarHBondContact O-CA 3.5Å; K61-T67 PolarHBondContact NZ-OG1 3.05Å |
| 68 | V | 89.1 | Confident | 86.8 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 9% | 0.085 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.1 | 172.1 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | S59 Y60 D62 H458 | S59-V68 WeakPolarHBondContact CA-O 3.44Å; S59-V68 WeakPolarHBondContact CB-O 3.49Å; Y60-V68 HydrophobicContact CD1-CB 4.06Å; Y60-V68 HydrophobicContact CD1-CG1 4.39Å; Y60-V68 HydrophobicContact CE1-CB 3.63Å; Y60-V68 HydrophobicContact CE1-CG1 3.62Å; Y60-V68 HydrophobicContact CE1-CG2 4.44Å; Y60-V68 HydrophobicContact CE2-CB 4.27Å; Y60-V68 HydrophobicContact CE2-CG2 4.31Å; Y60-V68 PolarHBondContact N-O 3.03Å; Y60-V68 PolarHBondContact O-N 3.32Å; D62-V68 HydrophobicContact CB-CG2 3.91Å; V68-H458 HydrophobicContact CG1-CB 4.03Å; V68-H458 HydrophobicContact CG2-CB 4.5Å; V68-H458 VanDerWaalsContact CG2-CD2 3.43Å; V68-H458 WeakPolarHBondContact CG2-CD2 3.46Å |
| 69 | D | 87.1 | Confident | 87.3 | Confident | 104 Ų | 104 | 42 Ų | 42 | 56% | 0.556 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 132.6 | 175.5 | -64.1 | -31.7 | 0 | 0 | 0 | 110.1 | S59 | S59-D69 VanDerWaalsContact CB-OD1 3.27Å; S59-D69 WeakPolarHBondContact CB-OD1 3.22Å |
| 70 | V | 86 | Confident | 87.3 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | trans | -108.2 | 117.5 | 178.2 | -168.5 | 0 | 0 | 0 | 0 | 108.4 | F58 Y60 L73 Q457 | F58-V70 HydrophobicContact CB-CB 4.35Å; F58-V70 PolarHBondContact O-N 3.17Å; Y60-V70 HydrophobicContact CD1-CG2 3.71Å; Y60-V70 HydrophobicContact CE1-CG2 3.79Å; V70-L73 HydrophobicContact CG1-CB 3.78Å; V70-L73 HydrophobicContact CG1-CD1 4Å; V70-L73 HydrophobicContact CG1-CD2 4.45Å; V70-L73 HydrophobicContact CG1-CG 4.28Å; V70-Q457 HydrophobicContact CG1-CB 4.39Å; V70-Q457 HydrophobicContact CG1-CG 3.9Å | ||
| 71 | I | 81.2 | Confident | 86.9 | Confident | 86 Ų | 86 | 43 Ų | 43 | 44% | 0.441 | 23% | 0.227 | S | C | . | . | trans | -100.1 | 125.2 | -172.5 | -56.7 | 172.3 | 0 | 0 | 0 | 109.3 | L73 Q457 | I71-L73 VanDerWaalsContact C-N 3.29Å; I71-L73 PolarHBondContact O-N 2.85Å; I71-Q457 PolarHBondContact O-NE2 3.28Å; I71-Q457 PolarHBondContact O-OE1 2.98Å | ||
| 72 | N | 79.5 | Confident | 86.4 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 52.2 | 45.5 | 176.9 | -60.7 | -16.3 | 0 | 0 | 0 | 112.7 | Q51 R74 | Q51-N72 HydrophobicContact CG-CB 4.47Å; N72-R74 PolarHBondContact O-N 3.35Å |
| 73 | L | 85.7 | Confident | 86.1 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | trans | -54.4 | 128.2 | 178 | -179.8 | 62.2 | 0 | 0 | 0 | 109.3 | P21 L52 V70 I71 I75 F456 | P21-L73 HydrophobicContact CG-CD1 4.18Å; L52-L73 WeakPolarHBondContact CB-O 3.29Å; L52-L73 HydrophobicContact CD1-CB 3.99Å; L52-L73 HydrophobicContact CD1-CD2 4.24Å; L52-L73 HydrophobicContact CD1-CG 4.27Å; L52-L73 PolarHBondContact N-O 2.97Å; V70-L73 HydrophobicContact CG1-CB 3.78Å; V70-L73 HydrophobicContact CG1-CD1 4Å; V70-L73 HydrophobicContact CG1-CD2 4.45Å; V70-L73 HydrophobicContact CG1-CG 4.28Å; I71-L73 VanDerWaalsContact C-N 3.29Å; I71-L73 PolarHBondContact O-N 2.85Å; L73-I75 HydrophobicContact CD1-CD1 4.41Å; L73-I75 HydrophobicContact CD2-CD1 4.12Å; L73-I75 HydrophobicContact CG-CD1 4.06Å; L73-F456 HydrophobicContact CD2-CE1 4.1Å | ||
| 74 | R | 88.1 | Confident | 85.9 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -114.9 | 135.8 | 175.9 | -174.4 | 175.7 | 177.8 | 155.2 | 1.7 | 109.6 | S20 P21 E50 Q51 N72 | S20-R74 WeakPolarHBondContact CB-O 3.29Å; S20-R74 PolarHBondContact OG-O 2.89Å; P21-R74 VanDerWaalsContact CD-O 3.3Å; P21-R74 WeakPolarHBondContact CD-O 3.18Å; E50-R74 HydrophobicContact CB-CG 3.97Å; E50-R74 CarbonylContact O-C 2.93Å; E50-R74 VanDerWaalsContact O-CA 3.26Å; E50-R74 WeakPolarHBondContact O-CA 3.38Å; E50-R74 IonicContact OE2-CZ 3.74Å; E50-R74 IonicContact OE2-NE 2.68Å; E50-R74 PolarHBondContact OE2-NE 3.27Å; E50-R74 IonicContact OE2-NH2 3.46Å; E50-R74 PolarHBondContact OE2-NH2 2.85Å; Q51-R74 HydrophobicContact CB-CB 4.45Å; Q51-R74 HydrophobicContact CB-CG 4.32Å; N72-R74 PolarHBondContact O-N 3.35Å |
| 75 | I | 91.3 | Very high | 86 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -109.4 | 131 | 177.8 | -55.1 | -57.9 | 0 | 0 | 0 | 109.5 | P21 V23 E50 L73 F77 F358 L363 | P21-I75 HydrophobicContact CB-CD1 4.14Å; P21-I75 HydrophobicContact CG-CD1 4.1Å; V23-I75 HydrophobicContact CB-CG2 4.13Å; V23-I75 HydrophobicContact CG2-CG2 3.65Å; E50-I75 VanDerWaalsContact CB-O 3.24Å; E50-I75 WeakPolarHBondContact CB-O 3.44Å; E50-I75 WeakPolarHBondContact CG-O 3.38Å; E50-I75 PolarHBondContact O-N 2.96Å; L73-I75 HydrophobicContact CD1-CD1 4.41Å; L73-I75 HydrophobicContact CD2-CD1 4.12Å; L73-I75 HydrophobicContact CG-CD1 4.06Å; I75-F77 HydrophobicContact CB-CD2 4.45Å; I75-F77 HydrophobicContact CB-CE2 3.93Å; I75-F77 HydrophobicContact CB-CZ 4.15Å; I75-F77 HydrophobicContact CG2-CD1 4.25Å; I75-F77 HydrophobicContact CG2-CD2 4.14Å; I75-F77 HydrophobicContact CG2-CE1 3.89Å; I75-F77 HydrophobicContact CG2-CE2 3.77Å; I75-F77 HydrophobicContact CG2-CG 4.37Å; I75-F77 HydrophobicContact CG2-CZ 3.63Å; I75-F77 PolarHBondContact O-N 2.86Å; I75-F358 HydrophobicContact CG2-CE1 4.49Å; I75-L363 HydrophobicContact CD1-CD2 3.67Å | ||
| 76 | D | 90.8 | Very high | 86.1 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 97.2 | 175 | -172.8 | 26.3 | 0 | 0 | 0 | 110.3 | P21 V22 V23 K47 R78 K134 | P21-D76 PolarHBondContact O-N 3.31Å; V22-D76 HydrophobicContact CG1-CB 4.45Å; V22-D76 HydrophobicContact CG2-CB 4.37Å; V23-D76 PolarHBondContact N-O 3.12Å; K47-D76 IonicContact NZ-OD1 3.86Å; D76-R78 IonicContact OD1-NE 2.9Å; D76-R78 IonicContact OD2-CZ 3.98Å; D76-R78 IonicContact OD2-NE 3.87Å; D76-R78 PolarHBondContact OD2-NE 2.91Å; D76-R78 IonicContact OD2-NH2 2.97Å; D76-R78 PolarHBondContact OD2-NH2 3.35Å; D76-K134 IonicContact OD1-NZ 2.66Å; D76-K134 PolarHBondContact OD1-NZ 3.27Å; D76-K134 WeakPolarHBondContact OD2-CE 3.46Å; D76-K134 IonicContact OD2-NZ 3.87Å; D76-K134 PolarHBondContact OD2-NZ 3.26Å |
| 77 | F | 92.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 130.2 | 173.5 | -65.6 | -74.5 | 0 | 0 | 0 | 110.2 | V23 V25 V43 L46 K47 E50 I75 L151 V355 F358 | V23-F77 HydrophobicContact CB-CD1 3.92Å; V23-F77 HydrophobicContact CB-CE1 4.06Å; V23-F77 HydrophobicContact CG1-CD1 3.97Å; V23-F77 HydrophobicContact CG1-CE1 3.95Å; V25-F77 HydrophobicContact CG2-CB 4.02Å; V25-F77 HydrophobicContact CG2-CD1 3.9Å; V25-F77 HydrophobicContact CG2-CG 4.41Å; V43-F77 HydrophobicContact CG1-CB 4.35Å; V43-F77 WeakPolarHBondContact CG1-O 3.3Å; L46-F77 HydrophobicContact CB-CD2 4.22Å; L46-F77 HydrophobicContact CD1-CB 4.48Å; L46-F77 HydrophobicContact CD1-CD1 4.28Å; L46-F77 HydrophobicContact CD1-CD2 3.93Å; L46-F77 HydrophobicContact CD1-CE2 4.2Å; L46-F77 HydrophobicContact CD1-CG 3.98Å; L46-F77 HydrophobicContact CD1-CZ 4.48Å; K47-F77 PolarHBondContact NZ-O 3.21Å; E50-F77 HydrophobicContact CG-CD2 4.14Å; E50-F77 PolarHBondContact OE1-N 3.37Å; I75-F77 HydrophobicContact CB-CD2 4.45Å; I75-F77 HydrophobicContact CB-CE2 3.93Å; I75-F77 HydrophobicContact CB-CZ 4.15Å; I75-F77 HydrophobicContact CG2-CD1 4.25Å; I75-F77 HydrophobicContact CG2-CD2 4.14Å; I75-F77 HydrophobicContact CG2-CE1 3.89Å; I75-F77 HydrophobicContact CG2-CE2 3.77Å; I75-F77 HydrophobicContact CG2-CG 4.37Å; I75-F77 HydrophobicContact CG2-CZ 3.63Å; I75-F77 PolarHBondContact O-N 2.86Å; F77-L151 HydrophobicContact CE1-CD2 4.31Å; F77-V355 HydrophobicContact CE2-CG1 4.34Å; F77-V355 HydrophobicContact CE2-CG2 4.5Å; F77-F358 HydrophobicContact CE1-CD1 4.4Å; F77-F358 AromaticContact CE1-CE1 3.96Å; F77-F358 HydrophobicContact CE1-CE1 3.96Å; F77-F358 HydrophobicContact CE1-CZ 4.13Å; F77-F358 HydrophobicContact CZ-CD1 4.05Å; F77-F358 AromaticContact CZ-CE1 3.95Å; F77-F358 HydrophobicContact CZ-CE1 3.95Å |
| 78 | R | 90.9 | Very high | 85.7 | Confident | 5 Ų | 5 | 26.2 Ų | 26.2 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 128.6 | -180 | -67.4 | -171.5 | 175.8 | -145.3 | 6.8 | 111.2 | V22 V23 A24 V25 D76 L80 D83 F85 K134 Y147 | V22-R78 HydrophobicContact CG1-CG 4.3Å; V23-R78 PolarHBondContact O-N 2.88Å; V23-R78 VanDerWaalsContact O-N 3.07Å; A24-R78 CarbonylContact C-O 3.6Å; V25-R78 PolarHBondContact N-O 2.88Å; D76-R78 IonicContact OD1-NE 2.9Å; D76-R78 IonicContact OD2-CZ 3.98Å; D76-R78 IonicContact OD2-NE 3.87Å; D76-R78 PolarHBondContact OD2-NE 2.91Å; D76-R78 IonicContact OD2-NH2 2.97Å; D76-R78 PolarHBondContact OD2-NH2 3.35Å; R78-L80 PolarHBondContact O-N 3.49Å; R78-D83 HydrophobicContact CB-CB 3.94Å; R78-D83 WeakPolarHBondContact CD-O 3.45Å; R78-D83 HydrophobicContact CG-CB 4.24Å; R78-F85 VanDerWaalsContact CZ-CE1 3.49Å; R78-F85 VanDerWaalsContact NH1-CD1 3.35Å; R78-F85 VanDerWaalsContact NH1-CE1 3.33Å; R78-K134 PolarHBondContact NH2-O 3.5Å; R78-Y147 HydrophobicContact CB-CE1 4.24Å |
| 79 | D | 88.8 | Confident | 85.4 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 119.6 | 169.9 | -169.2 | -46.6 | 0 | 0 | 0 | 108 | V25 V43 R81 R82 D83 | V25-D79 WeakPolarHBondContact O-CA 3.27Å; V43-D79 HydrophobicContact CG2-CB 3.92Å; D79-R81 PolarHBondContact O-N 2.8Å; D79-R81 WeakPolarHBondContact OD1-CB 3.45Å; D79-R81 IonicContact OD1-CZ 2.86Å; D79-R81 PolarHBondContact OD1-N 3.29Å; D79-R81 IonicContact OD1-NE 2.63Å; D79-R81 PolarHBondContact OD1-NE 3.28Å; D79-R81 VanDerWaalsContact OD1-NE 3.11Å; D79-R81 IonicContact OD1-NH2 2.86Å; D79-R81 IonicContact OD2-CZ 2.77Å; D79-R81 IonicContact OD2-NE 3.86Å; D79-R81 IonicContact OD2-NH2 3.1Å; D79-R81 PolarHBondContact OD2-NH2 2.73Å; D79-R82 HydrophobicContact CB-CB 4.21Å; D79-R82 PolarHBondContact O-N 3.28Å; D79-R82 VanDerWaalsContact O-N 3.08Å; D79-D83 PolarHBondContact N-OD2 3.34Å; D79-D83 VanDerWaalsContact N-OD2 3.11Å; D79-D83 PolarHBondContact O-N 2.84Å |
| 80 | L | 86.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -4 | -176.4 | -156.9 | 85.3 | 0 | 0 | 0 | 112.7 | A24 V25 L26 R78 H84 Y147 L175 P195 W197 | A24-L80 HydrophobicContact CB-CB 4.46Å; A24-L80 HydrophobicContact CB-CD1 3.46Å; A24-L80 VanDerWaalsContact CB-CD1 3.46Å; A24-L80 HydrophobicContact CB-CG 4.44Å; V25-L80 PolarHBondContact O-N 3.32Å; L26-L80 HydrophobicContact CD1-CD2 4.23Å; L26-L80 HydrophobicContact CD2-CB 3.89Å; L26-L80 HydrophobicContact CD2-CD2 4.25Å; L26-L80 HydrophobicContact CG-CB 4.17Å; L26-L80 HydrophobicContact CG-CD2 4.29Å; R78-L80 PolarHBondContact O-N 3.49Å; L80-H84 PolarHBondContact O-CE1 3.13Å; L80-H84 PolarHBondContact O-NE2 2.75Å; L80-Y147 HydrophobicContact CD1-CD2 4.41Å; L80-Y147 HydrophobicContact CD1-CE1 4.32Å; L80-Y147 HydrophobicContact CD1-CE2 4.03Å; L80-L175 HydrophobicContact CD2-CD1 3.41Å; L80-L175 VanDerWaalsContact CD2-CD1 3.41Å; L80-L175 HydrophobicContact CG-CD1 4.41Å; L80-P195 HydrophobicContact CD1-CB 3.94Å; L80-P195 HydrophobicContact CD1-CG 4.47Å; L80-W197 HydrophobicContact CD1-CH2 4.5Å; L80-W197 HydrophobicContact CD1-CZ2 4.36Å; L80-W197 HydrophobicContact CD2-CZ2 4.37Å |
| 81 | R | 81.7 | Confident | 85.2 | Confident | 83 Ų | 83 | 24.3 Ų | 24.3 | 31% | 0.313 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -14.6 | 175.9 | -59.1 | 165.3 | -67.8 | -169.9 | -3.3 | 113.7 | L26 A27 D29 N32 D79 | L26-R81 HydrophobicContact CD2-CG 4.3Å; A27-R81 PolarHBondContact O-NH1 3.02Å; A27-R81 PolarHBondContact O-NH2 3.35Å; D29-R81 IonicContact OD1-NH1 2.89Å; N32-R81 PolarHBondContact ND2-NH2 2.63Å; D79-R81 PolarHBondContact O-N 2.8Å; D79-R81 WeakPolarHBondContact OD1-CB 3.45Å; D79-R81 IonicContact OD1-CZ 2.86Å; D79-R81 PolarHBondContact OD1-N 3.29Å; D79-R81 IonicContact OD1-NE 2.63Å; D79-R81 PolarHBondContact OD1-NE 3.28Å; D79-R81 VanDerWaalsContact OD1-NE 3.11Å; D79-R81 IonicContact OD1-NH2 2.86Å; D79-R81 IonicContact OD2-CZ 2.77Å; D79-R81 IonicContact OD2-NE 3.86Å; D79-R81 IonicContact OD2-NH2 3.1Å; D79-R81 PolarHBondContact OD2-NH2 2.73Å |
| 82 | R | 77.7 | Confident | 85.5 | Confident | 85 Ų | 85 | 24.1 Ų | 24.1 | 32% | 0.321 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | -42.6 | -170.4 | -169.4 | -171.7 | 70.9 | 177.7 | -3.5 | 112.9 | D44 D79 H84 S262 | D44-R82 IonicContact OD1-CZ 3.49Å; D44-R82 IonicContact OD1-NH1 3.61Å; D44-R82 IonicContact OD1-NH2 3.09Å; D44-R82 PolarHBondContact OD1-NH2 2.94Å; D44-R82 IonicContact OD2-CZ 3.51Å; D44-R82 IonicContact OD2-NH1 2.76Å; D44-R82 PolarHBondContact OD2-NH1 2.84Å; D44-R82 IonicContact OD2-NH2 3.3Å; D79-R82 HydrophobicContact CB-CB 4.21Å; D79-R82 PolarHBondContact O-N 3.28Å; D79-R82 VanDerWaalsContact O-N 3.08Å; R82-H84 VanDerWaalsContact C-N 3.35Å; R82-H84 PolarHBondContact O-N 3.32Å; R82-S262 VanDerWaalsContact O-CB 3.3Å; R82-S262 WeakPolarHBondContact O-CB 3.39Å |
| 83 | D | 79.9 | Confident | 85.7 | Confident | 10 Ų | 10 | 22.7 Ų | 22.7 | 5% | 0.053 | 11% | 0.111 | C | C | . | . | trans | -99.9 | 51.4 | -165.9 | -57.4 | -35.3 | 0 | 0 | 0 | 111.6 | R78 D79 | R78-D83 HydrophobicContact CB-CB 3.94Å; R78-D83 WeakPolarHBondContact CD-O 3.45Å; R78-D83 HydrophobicContact CG-CB 4.24Å; D79-D83 PolarHBondContact N-OD2 3.34Å; D79-D83 VanDerWaalsContact N-OD2 3.11Å; D79-D83 PolarHBondContact O-N 2.84Å | ||
| 84 | H | 79.2 | Confident | 85.6 | Confident | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.046 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 154.4 | -179.1 | -65.4 | -60.1 | 0 | 0 | 0 | 112.8 | L80 R82 Y185 Y192 | L80-H84 PolarHBondContact O-CE1 3.13Å; L80-H84 PolarHBondContact O-NE2 2.75Å; R82-H84 VanDerWaalsContact C-N 3.35Å; R82-H84 PolarHBondContact O-N 3.32Å; H84-Y185 AromaticContact CE1-CZ 3.95Å; H84-Y185 PolarHBondContact CE1-OH 3.11Å; H84-Y185 AromaticContact NE2-CZ 3.94Å; H84-Y185 PolarHBondContact NE2-OH 3.37Å; H84-Y192 HydrophobicContact CB-CD1 3.76Å; H84-Y192 HydrophobicContact CB-CG 4.25Å |
| 85 | F | 86.8 | Confident | 85.5 | Confident | 10 Ų | 10 | 21.5 Ų | 21.5 | 4% | 0.044 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -69 | 143.7 | 158.9 | -65.6 | -79.7 | 0 | 0 | 0 | 109 | V22 R78 K134 H135 E137 P138 R145 S193 | V22-F85 HydrophobicContact CG2-CZ 4.34Å; R78-F85 VanDerWaalsContact CZ-CE1 3.49Å; R78-F85 VanDerWaalsContact NH1-CD1 3.35Å; R78-F85 VanDerWaalsContact NH1-CE1 3.33Å; F85-K134 WeakPolarHBondContact CE1-O 3.3Å; F85-H135 CarbonylContact C-O 3.58Å; F85-H135 WeakPolarHBondContact CA-O 3.37Å; F85-E137 HydrophobicContact CB-CB 4.35Å; F85-P138 HydrophobicContact CD2-CG 4.44Å; F85-R145 HydrophobicContact CE1-CB 4.38Å; F85-R145 WeakPolarHBondContact CE2-O 3.5Å; F85-R145 HydrophobicContact CZ-CB 4.04Å; F85-S193 PolarHBondContact O-N 3.22Å |
| 86 | L | 87.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -96.5 | 135.9 | -175.2 | -61.2 | -177.8 | 0 | 0 | 0 | 109.8 | A90 L91 H135 E137 Y192 L261 A265 | L86-A90 HydrophobicContact CB-CB 4.28Å; L86-A90 HydrophobicContact CD2-CB 4.4Å; L86-L91 HydrophobicContact CB-CB 3.98Å; L86-L91 HydrophobicContact CB-CD1 4.44Å; L86-L91 HydrophobicContact CD1-CD1 4.05Å; L86-H135 HydrophobicContact CD1-CB 4.47Å; L86-H135 HydrophobicContact CG-CB 4.49Å; L86-H135 PolarHBondContact N-O 2.97Å; L86-E137 PolarHBondContact O-N 3.17Å; L86-Y192 HydrophobicContact CD2-CD1 3.73Å; L86-Y192 HydrophobicContact CD2-CE1 3.68Å; L86-L261 HydrophobicContact CD1-CD2 3.5Å; L86-L261 HydrophobicContact CD1-CG 4.04Å; L86-A265 HydrophobicContact CD1-CB 4.11Å; L86-A265 HydrophobicContact CD2-CB 4.11Å |
| 87 | S | 85.3 | Confident | 84.8 | Confident | 11 Ų | 11 | 27 Ų | 27 | 8% | 0.077 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 155.6 | 165.8 | 79.1 | 0 | 0 | 0 | 0 | 108.9 | S89 A90 L91 E190 M191 | S87-S89 PolarHBondContact O-N 3.44Å; S87-S89 VanDerWaalsContact O-N 3.14Å; S87-A90 PolarHBondContact O-N 3.06Å; S87-A90 PolarHBondContact OG-N 3.46Å; S87-L91 WeakPolarHBondContact O-CB 3.42Å; S87-L91 PolarHBondContact O-N 3.17Å; S87-E190 WeakPolarHBondContact CB-O 3.5Å; S87-E190 PolarHBondContact OG-O 3.22Å; S87-M191 PolarHBondContact N-O 3Å; S87-M191 PolarHBondContact OG-O 2.95Å |
| 88 | P | 84.4 | Confident | 84.3 | Confident | 27 Ų | 27 | 27.5 Ų | 27.5 | 18% | 0.175 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -28.5 | -179.2 | -20 | 28.8 | 0 | 0 | 0 | 114 | R92 L136 E137 W521 | P88-R92 WeakPolarHBondContact O-CB 3.27Å; P88-R92 PolarHBondContact O-N 3.12Å; P88-R92 VanDerWaalsContact O-N 3.16Å; P88-L136 HydrophobicContact CG-CD1 4.2Å; P88-E137 VanDerWaalsContact CD-OE1 3.3Å; P88-E137 WeakPolarHBondContact CD-OE1 3.4Å; P88-W521 HydrophobicContact CB-CD2 3.85Å; P88-W521 VanDerWaalsContact CB-CE2 3.5Å; P88-W521 HydrophobicContact CB-CG 3.72Å; P88-W521 HydrophobicContact CB-CZ2 4.14Å; P88-W521 HydrophobicContact CG-CG 4.07Å |
| 89 | S | 82.1 | Confident | 84 | Confident | 87 Ų | 87 | 27.3 Ų | 27.3 | 61% | 0.608 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -67.4 | -35.9 | 175.4 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | S87 P93 | S87-S89 PolarHBondContact O-N 3.44Å; S87-S89 VanDerWaalsContact O-N 3.14Å; S89-P93 WeakPolarHBondContact O-CD 3.22Å |
| 90 | A | 83.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -81.6 | -35 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L86 S87 P93 M191 | L86-A90 HydrophobicContact CB-CB 4.28Å; L86-A90 HydrophobicContact CD2-CB 4.4Å; S87-A90 PolarHBondContact O-N 3.06Å; S87-A90 PolarHBondContact OG-N 3.46Å; A90-P93 WeakPolarHBondContact O-CD 3.27Å; A90-P93 WeakPolarHBondContact O-CG 3.11Å; A90-M191 HydrophobicContact CB-CB 3.74Å; A90-M191 HydrophobicContact CB-CE 4.18Å; A90-M191 HydrophobicContact CB-CG 3.7Å; A90-M191 VanDerWaalsContact CB-O 3.32Å; A90-M191 WeakPolarHBondContact CB-O 3.43Å; A90-M191 HydrophobicContact CB-SD 4.21Å |
| 91 | L | 86.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.5 | -40.5 | -176.3 | -178.8 | 62 | 0 | 0 | 0 | 111.8 | L86 S87 A94 L95 H135 L136 L261 | L86-L91 HydrophobicContact CB-CB 3.98Å; L86-L91 HydrophobicContact CB-CD1 4.44Å; L86-L91 HydrophobicContact CD1-CD1 4.05Å; S87-L91 WeakPolarHBondContact O-CB 3.42Å; S87-L91 PolarHBondContact O-N 3.17Å; L91-A94 PolarHBondContact O-N 2.7Å; L91-L95 HydrophobicContact CD1-CD1 4.07Å; L91-L95 HydrophobicContact CD1-CD2 4.38Å; L91-L95 HydrophobicContact CD1-CG 3.98Å; L91-L95 HydrophobicContact CD2-CD1 4.18Å; L91-L95 HydrophobicContact CG-CD1 3.68Å; L91-L95 HydrophobicContact CG-CG 4.06Å; L91-L95 VanDerWaalsContact O-CG 3.31Å; L91-L95 WeakPolarHBondContact O-CG 3.26Å; L91-L95 PolarHBondContact O-N 2.93Å; L91-H135 HydrophobicContact CD1-CB 4.16Å; L91-L136 HydrophobicContact CD2-CB 3.85Å; L91-L136 HydrophobicContact CD2-CD1 3.81Å; L91-L136 HydrophobicContact CD2-CG 4.45Å; L91-L261 HydrophobicContact CD1-CD2 3.6Å |
| 92 | R | 86.7 | Confident | 83.4 | Confident | 81 Ų | 81 | 33 Ų | 33 | 31% | 0.306 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -54.7 | -56.8 | -177.5 | -176.2 | -176 | -69.2 | 128.4 | -5.6 | 113.5 | P88 A94 L95 W96 W521 D554 | P88-R92 WeakPolarHBondContact O-CB 3.27Å; P88-R92 PolarHBondContact O-N 3.12Å; P88-R92 VanDerWaalsContact O-N 3.16Å; R92-A94 VanDerWaalsContact C-N 3.32Å; R92-A94 PolarHBondContact O-N 2.99Å; R92-L95 PolarHBondContact O-N 3.38Å; R92-W96 HydrophobicContact CG-CZ2 3.88Å; R92-W96 PolarHBondContact O-N 2.8Å; R92-W96 VanDerWaalsContact O-N 3.1Å; R92-W521 HydrophobicContact CB-CH2 3.93Å; R92-W521 HydrophobicContact CB-CZ2 3.98Å; R92-W521 HydrophobicContact CG-CH2 4.34Å; R92-W521 HydrophobicContact CG-CZ2 4.44Å; R92-D554 IonicContact CZ-OD1 3.27Å; R92-D554 IonicContact NE-OD1 2.88Å; R92-D554 PolarHBondContact NE-OD1 3.33Å; R92-D554 IonicContact NH2-OD1 3.54Å; R92-D554 PolarHBondContact NH2-OD1 3.42Å |
| 93 | P | 83.2 | Confident | 83.6 | Confident | 29 Ų | 29 | 37.8 Ų | 37.8 | 19% | 0.188 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.5 | -36.1 | 179.5 | 23.4 | -32.8 | 0 | 0 | 0 | 112.6 | S89 A90 L95 W96 D97 F268 | S89-P93 WeakPolarHBondContact O-CD 3.22Å; A90-P93 WeakPolarHBondContact O-CD 3.27Å; A90-P93 WeakPolarHBondContact O-CG 3.11Å; P93-L95 VanDerWaalsContact C-N 3.34Å; P93-L95 PolarHBondContact O-N 3.23Å; P93-W96 WeakPolarHBondContact O-CB 3.41Å; P93-W96 PolarHBondContact O-N 3.08Å; P93-W96 VanDerWaalsContact O-N 3.13Å; P93-D97 PolarHBondContact O-N 3.35Å; P93-D97 VanDerWaalsContact O-N 3.11Å; P93-F268 HydrophobicContact CB-CE1 4.27Å; P93-F268 HydrophobicContact CB-CE2 4.14Å; P93-F268 HydrophobicContact CB-CZ 3.86Å |
| 94 | A | 83.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.3 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L91 R92 W96 D97 I98 L261 I264 | L91-A94 PolarHBondContact O-N 2.7Å; R92-A94 VanDerWaalsContact C-N 3.32Å; R92-A94 PolarHBondContact O-N 2.99Å; A94-W96 VanDerWaalsContact C-N 3.33Å; A94-D97 PolarHBondContact O-N 2.95Å; A94-I98 WeakPolarHBondContact O-CG1 3.13Å; A94-I98 PolarHBondContact O-N 2.83Å; A94-L261 HydrophobicContact CB-CD1 3.79Å; A94-L261 HydrophobicContact CB-CD2 4.39Å; A94-L261 HydrophobicContact CB-CG 3.96Å; A94-I264 HydrophobicContact CB-CG2 4.49Å |
| 95 | L | 86.7 | Confident | 84 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -36.3 | 173.1 | -71 | 172.1 | 0 | 0 | 0 | 111.7 | L91 R92 P93 I98 M99 Y128 H131 L132 W521 | L91-L95 HydrophobicContact CD1-CD1 4.07Å; L91-L95 HydrophobicContact CD1-CD2 4.38Å; L91-L95 HydrophobicContact CD1-CG 3.98Å; L91-L95 HydrophobicContact CD2-CD1 4.18Å; L91-L95 HydrophobicContact CG-CD1 3.68Å; L91-L95 HydrophobicContact CG-CG 4.06Å; L91-L95 VanDerWaalsContact O-CG 3.31Å; L91-L95 WeakPolarHBondContact O-CG 3.26Å; L91-L95 PolarHBondContact O-N 2.93Å; R92-L95 PolarHBondContact O-N 3.38Å; P93-L95 VanDerWaalsContact C-N 3.34Å; P93-L95 PolarHBondContact O-N 3.23Å; L95-I98 PolarHBondContact O-N 2.84Å; L95-M99 VanDerWaalsContact O-CG 3.3Å; L95-M99 WeakPolarHBondContact O-CG 2.99Å; L95-M99 PolarHBondContact O-N 3.06Å; L95-M99 VanDerWaalsContact O-N 3.09Å; L95-Y128 HydrophobicContact CB-CD2 3.96Å; L95-Y128 HydrophobicContact CB-CE2 3.98Å; L95-Y128 HydrophobicContact CD1-CD2 4.06Å; L95-Y128 HydrophobicContact CD1-CE2 3.6Å; L95-Y128 HydrophobicContact CD2-CD2 4.08Å; L95-Y128 HydrophobicContact CD2-CE2 4.46Å; L95-Y128 HydrophobicContact CG-CD2 4.26Å; L95-Y128 HydrophobicContact CG-CE2 4.23Å; L95-H131 HydrophobicContact CD2-CB 3.72Å; L95-L132 HydrophobicContact CD1-CB 4.2Å; L95-L132 HydrophobicContact CD1-CD1 4Å; L95-L132 HydrophobicContact CD2-CB 4.47Å; L95-W521 HydrophobicContact CD1-CZ3 4.29Å |
| 96 | W | 85.3 | Confident | 83.6 | Confident | 73 Ų | 73 | 49.1 Ų | 49.1 | 28% | 0.277 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176.3 | -63.6 | -2.1 | 0 | 0 | 0 | 111.9 | R92 P93 A94 I98 M99 R100 V556 P593 | R92-W96 HydrophobicContact CG-CZ2 3.88Å; R92-W96 PolarHBondContact O-N 2.8Å; R92-W96 VanDerWaalsContact O-N 3.1Å; P93-W96 WeakPolarHBondContact O-CB 3.41Å; P93-W96 PolarHBondContact O-N 3.08Å; P93-W96 VanDerWaalsContact O-N 3.13Å; A94-W96 VanDerWaalsContact C-N 3.33Å; W96-I98 PolarHBondContact O-N 2.88Å; W96-M99 PolarHBondContact O-N 3.07Å; W96-R100 WeakPolarHBondContact O-CB 3.38Å; W96-R100 PolarHBondContact O-N 3.46Å; W96-V556 HydrophobicContact CG-CG2 4.44Å; W96-V556 HydrophobicContact CZ2-CG2 4.27Å; W96-P593 HydrophobicContact CE3-CG 4.16Å; W96-P593 HydrophobicContact CZ3-CG 4.43Å |
| 97 | D | 81.5 | Confident | 83.3 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66 | -37.9 | -179.8 | -80 | -12.5 | 0 | 0 | 0 | 112.3 | P93 A94 M99 R100 A101 I264 F268 | P93-D97 PolarHBondContact O-N 3.35Å; P93-D97 VanDerWaalsContact O-N 3.11Å; A94-D97 PolarHBondContact O-N 2.95Å; D97-M99 VanDerWaalsContact C-N 3.33Å; D97-M99 PolarHBondContact O-N 3.04Å; D97-R100 PolarHBondContact O-N 3.11Å; D97-R100 IonicContact OD1-CZ 3.94Å; D97-R100 IonicContact OD1-NH1 2.89Å; D97-R100 PolarHBondContact OD1-NH1 3.23Å; D97-A101 VanDerWaalsContact O-CB 3.27Å; D97-A101 WeakPolarHBondContact O-CB 3.41Å; D97-A101 PolarHBondContact O-N 3.2Å; D97-I264 HydrophobicContact CB-CG2 4.24Å; D97-F268 WeakPolarHBondContact OD2-CZ 3.36Å |
| 98 | I | 81.4 | Confident | 82.9 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -44 | 173.5 | -68.4 | 163.9 | 0 | 0 | 0 | 111.3 | A94 L95 W96 R100 A101 S102 N127 H131 L261 I264 | A94-I98 WeakPolarHBondContact O-CG1 3.13Å; A94-I98 PolarHBondContact O-N 2.83Å; L95-I98 PolarHBondContact O-N 2.84Å; W96-I98 PolarHBondContact O-N 2.88Å; I98-R100 VanDerWaalsContact C-N 3.34Å; I98-A101 PolarHBondContact O-N 3.01Å; I98-S102 PolarHBondContact O-N 3.05Å; I98-S102 PolarHBondContact O-OG 2.95Å; I98-N127 HydrophobicContact CG2-CB 3.64Å; I98-H131 HydrophobicContact CD1-CB 3.98Å; I98-H131 WeakPolarHBondContact CD1-CD2 3.41Å; I98-L261 HydrophobicContact CD1-CD1 3.07Å; I98-L261 HydrophobicContact CG1-CD1 4.07Å; I98-I264 HydrophobicContact CG1-CD1 4.41Å |
| 99 | M | 85.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 177.1 | -68.5 | 178.9 | 64.9 | 0 | 0 | 110.3 | L95 W96 D97 A101 S102 W124 Y128 V556 L560 F589 L594 H597 | L95-M99 VanDerWaalsContact O-CG 3.3Å; L95-M99 WeakPolarHBondContact O-CG 2.99Å; L95-M99 PolarHBondContact O-N 3.06Å; L95-M99 VanDerWaalsContact O-N 3.09Å; W96-M99 PolarHBondContact O-N 3.07Å; D97-M99 VanDerWaalsContact C-N 3.33Å; D97-M99 PolarHBondContact O-N 3.04Å; M99-A101 VanDerWaalsContact C-N 3.32Å; M99-A101 PolarHBondContact O-N 3.38Å; M99-S102 VanDerWaalsContact O-CB 3.3Å; M99-S102 WeakPolarHBondContact O-CB 3.34Å; M99-S102 PolarHBondContact O-N 2.98Å; M99-S102 VanDerWaalsContact O-N 3.09Å; M99-W124 HydrophobicContact CB-CB 4.45Å; M99-W124 HydrophobicContact CG-CB 4.27Å; M99-Y128 HydrophobicContact CG-CD2 4.49Å; M99-Y128 HydrophobicContact SD-CD2 3.7Å; M99-Y128 HydrophobicContact SD-CE2 4.42Å; M99-Y128 HydrophobicContact SD-CG 4.43Å; M99-V556 HydrophobicContact CE-CG1 3.98Å; M99-V556 HydrophobicContact SD-CG1 3.41Å; M99-V556 WeakPolarHBondContact SD-CG1 2.96Å; M99-L560 HydrophobicContact CE-CD1 3.18Å; M99-L560 HydrophobicContact SD-CD1 3.85Å; M99-F589 HydrophobicContact CE-CE1 3.78Å; M99-F589 HydrophobicContact CE-CZ 4.41Å; M99-L594 HydrophobicContact CB-CD1 4.3Å; M99-L594 HydrophobicContact CB-CD2 3.92Å; M99-L594 HydrophobicContact CE-CD1 3.69Å; M99-L594 HydrophobicContact SD-CD1 4.2Å; M99-H597 PolarHBondContact O-CE1 2.74Å; M99-H597 PolarHBondContact O-NE2 3.01Å |
| 100 | R | 83.8 | Confident | 81.6 | Confident | 107 Ų | 107 | 52.7 Ų | 52.7 | 40% | 0.404 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 177.8 | -167.7 | -174.6 | -65.1 | 150.7 | 3.6 | 112.6 | W96 D97 I98 S102 P593 L594 | W96-R100 WeakPolarHBondContact O-CB 3.38Å; W96-R100 PolarHBondContact O-N 3.46Å; D97-R100 PolarHBondContact O-N 3.11Å; D97-R100 IonicContact OD1-CZ 3.94Å; D97-R100 IonicContact OD1-NH1 2.89Å; D97-R100 PolarHBondContact OD1-NH1 3.23Å; I98-R100 VanDerWaalsContact C-N 3.34Å; R100-S102 VanDerWaalsContact C-N 3.27Å; R100-S102 PolarHBondContact O-N 3.3Å; R100-P593 PolarHBondContact NE-O 3.46Å; R100-P593 VanDerWaalsContact NH2-CB 3.3Å; R100-L594 HydrophobicContact CB-CD2 4.04Å |
| 101 | A | 79.2 | Confident | 80.6 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -75 | -15.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D97 I98 M99 | D97-A101 VanDerWaalsContact O-CB 3.27Å; D97-A101 WeakPolarHBondContact O-CB 3.41Å; D97-A101 PolarHBondContact O-N 3.2Å; I98-A101 PolarHBondContact O-N 3.01Å; M99-A101 VanDerWaalsContact C-N 3.32Å; M99-A101 PolarHBondContact O-N 3.38Å |
| 102 | S | 81.6 | Confident | 79.4 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 11% | 0.105 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -70.2 | 139.2 | 179.3 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | I98 M99 R100 V104 N127 | I98-S102 PolarHBondContact O-N 3.05Å; I98-S102 PolarHBondContact O-OG 2.95Å; M99-S102 VanDerWaalsContact O-CB 3.3Å; M99-S102 WeakPolarHBondContact O-CB 3.34Å; M99-S102 PolarHBondContact O-N 2.98Å; M99-S102 VanDerWaalsContact O-N 3.09Å; R100-S102 VanDerWaalsContact C-N 3.27Å; R100-S102 PolarHBondContact O-N 3.3Å; S102-V104 PolarHBondContact O-N 3.18Å; S102-N127 PolarHBondContact OG-ND2 3.22Å |
| 103 | K | 80.9 | Confident | 78 | Confident | 185 Ų | 185 | 62.1 Ų | 62.1 | 80% | 0.804 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 119.2 | 179.2 | -171 | 178.6 | -179.8 | -178.4 | 0 | 110.3 | ||
| 104 | V | 85 | Confident | 76.6 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 22% | 0.218 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 121.8 | 174.8 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | S102 W124 R596 Y600 | S102-V104 PolarHBondContact O-N 3.18Å; V104-W124 HydrophobicContact CG1-CH2 4.41Å; V104-W124 HydrophobicContact CG2-CZ3 4.3Å; V104-R596 HydrophobicContact CG2-CB 4.3Å; V104-Y600 HydrophobicContact CG1-CD2 3.9Å; V104-Y600 HydrophobicContact CG1-CG 3.76Å |
| 105 | P | 83.2 | Confident | 75.4 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 42% | 0.416 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -67 | 156.8 | 176.6 | -14.2 | 26.8 | 0 | 0 | 0 | 112.1 | Y600 | P105-Y600 HydrophobicContact CB-CE2 3.94Å; P105-Y600 HydrophobicContact CG-CE2 4Å; P105-Y600 WeakPolarHBondContact O-CD2 3.26Å; P105-Y600 WeakPolarHBondContact O-CE2 3.49Å |
| 106 | Q | 78.5 | Confident | 74.1 | Confident | 168 Ų | 168 | 80.2 Ų | 80.2 | 79% | 0.785 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -87.4 | 142.2 | 166.6 | -69.8 | -160.3 | -22.8 | 0 | 0 | 110.6 | ||
| 107 | V | 81.5 | Confident | 73.1 | Confident | 8 Ų | 8 | 77.1 Ų | 77.1 | 5% | 0.048 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -101 | 116.6 | 177.8 | -178 | 0 | 0 | 0 | 0 | 109.4 | L109 F115 Y600 E603 R604 | V107-L109 PolarHBondContact O-N 3.27Å; V107-F115 HydrophobicContact CB-CZ 4.37Å; V107-F115 HydrophobicContact CG1-CD1 4.06Å; V107-F115 HydrophobicContact CG1-CE1 3.74Å; V107-F115 HydrophobicContact CG1-CE2 4.31Å; V107-F115 HydrophobicContact CG1-CG 4.47Å; V107-F115 HydrophobicContact CG1-CZ 3.87Å; V107-F115 HydrophobicContact CG2-CZ 4.02Å; V107-Y600 HydrophobicContact CG2-CD2 3.67Å; V107-Y600 HydrophobicContact CG2-CE2 3.6Å; V107-E603 HydrophobicContact CB-CB 3.71Å; V107-E603 WeakPolarHBondContact CB-OE2 3.48Å; V107-E603 HydrophobicContact CG1-CB 4.12Å; V107-E603 HydrophobicContact CG2-CB 3.87Å; V107-R604 HydrophobicContact CG2-CG 3.94Å |
| 108 | P | 77 | Confident | 72.3 | Confident | 38 Ų | 38 | 77.3 Ų | 77.3 | 25% | 0.247 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 121.3 | 172.8 | 25.2 | -30.5 | 0 | 0 | 0 | 110.7 | E113 F115 R607 | P108-E113 HydrophobicContact CB-CB 4.35Å; P108-E113 WeakPolarHBondContact CB-OE2 3.46Å; P108-F115 HydrophobicContact CG-CB 4.08Å; P108-F115 HydrophobicContact CG-CD2 3.78Å; P108-F115 HydrophobicContact CG-CG 4.2Å; P108-R607 WeakPolarHBondContact O-CD 3.11Å; P108-R607 PolarHBondContact O-NE 3.18Å |
| 109 | L | 70.1 | Confident | 71.9 | Confident | 57 Ų | 57 | 80.1 Ų | 80.1 | 30% | 0.298 | 43% | 0.432 | S | S | . | . | trans | -86 | -12 | -177.9 | -69.9 | 171.2 | 0 | 0 | 0 | 113.4 | V107 E603 L606 I610 | V107-L109 PolarHBondContact O-N 3.27Å; L109-E603 HydrophobicContact CD2-CB 4.48Å; L109-L606 HydrophobicContact CD2-CB 4.44Å; L109-L606 HydrophobicContact CD2-CD2 3.87Å; L109-L606 HydrophobicContact CD2-CG 4.32Å; L109-I610 HydrophobicContact CD2-CD1 4.38Å; L109-I610 WeakPolarHBondContact O-CD1 3.48Å | ||
| 110 | D | 68.7 | Low | 71.7 | Confident | 98 Ų | 98 | 86.9 Ų | 86.9 | 52% | 0.524 | 46% | 0.464 | S | S | . | . | trans | -73.4 | 133.1 | -178.7 | -155.4 | -7.5 | 0 | 0 | 0 | 111 | S112 E113 R607 | D110-S112 VanDerWaalsContact CG-OG 3.31Å; D110-S112 PolarHBondContact O-N 2.89Å; D110-S112 PolarHBondContact OD2-OG 2.94Å; D110-E113 PolarHBondContact O-N 2.92Å; D110-R607 PolarHBondContact O-NH2 3.24Å | ||
| 111 | S | 62.5 | Low | 71.7 | Confident | 84 Ų | 84 | 83.6 Ų | 83.6 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24.9 | -174.3 | 63 | 0 | 0 | 0 | 0 | 113 | R607 | S111-R607 VanDerWaalsContact C-NH2 3.32Å; S111-R607 VanDerWaalsContact CA-NH2 3.32Å; S111-R607 PolarHBondContact O-NH2 3.11Å |
| 112 | S | 60.7 | Low | 72.1 | Confident | 87 Ų | 87 | 80.2 Ų | 80.2 | 61% | 0.608 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -29.6 | -179.4 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | D110 | D110-S112 VanDerWaalsContact CG-OG 3.31Å; D110-S112 PolarHBondContact O-N 2.89Å; D110-S112 PolarHBondContact OD2-OG 2.94Å |
| 113 | E | 57.8 | Low | 72.2 | Confident | 108 Ų | 108 | 81.6 Ų | 81.6 | 51% | 0.505 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -81.9 | 126.9 | -179.7 | -67.6 | -170.4 | 174.8 | 0 | 0 | 110.3 | P108 D110 F115 R607 | P108-E113 HydrophobicContact CB-CB 4.35Å; P108-E113 WeakPolarHBondContact CB-OE2 3.46Å; D110-E113 PolarHBondContact O-N 2.92Å; E113-F115 PolarHBondContact O-N 3.49Å; E113-R607 PolarHBondContact O-NH2 3.33Å |
| 114 | Q | 54.3 | Low | 72.6 | Confident | 198 Ų | 198 | 72.9 Ų | 72.9 | 93% | 0.925 | 40% | 0.399 | S | S | * | . | trans | -68 | 101.8 | 174.2 | -72.4 | -176.4 | -6.8 | 0 | 0 | 108.7 | ||||
| 115 | F | 58.8 | Low | 72.8 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 21% | 0.211 | 39% | 0.39 | C | S | . | . | trans | -113.1 | 98.2 | 169.8 | -174.9 | -100.6 | 0 | 0 | 0 | 108.6 | V107 P108 E113 R604 R607 | V107-F115 HydrophobicContact CB-CZ 4.37Å; V107-F115 HydrophobicContact CG1-CD1 4.06Å; V107-F115 HydrophobicContact CG1-CE1 3.74Å; V107-F115 HydrophobicContact CG1-CE2 4.31Å; V107-F115 HydrophobicContact CG1-CG 4.47Å; V107-F115 HydrophobicContact CG1-CZ 3.87Å; V107-F115 HydrophobicContact CG2-CZ 4.02Å; P108-F115 HydrophobicContact CG-CB 4.08Å; P108-F115 HydrophobicContact CG-CD2 3.78Å; P108-F115 HydrophobicContact CG-CG 4.2Å; E113-F115 PolarHBondContact O-N 3.49Å; F115-R604 HydrophobicContact CE1-CG 4.3Å; F115-R607 HydrophobicContact CD1-CG 4.23Å | ||
| 116 | E | 59.4 | Low | 72.9 | Confident | 165 Ų | 165 | 69 Ų | 69 | 77% | 0.771 | 37% | 0.373 | S | S | * | . | trans | -77.2 | 123.4 | 165.4 | -73.9 | -171 | 163.7 | 0 | 0 | 108 | S118 | E116-S118 PolarHBondContact O-N 3.01Š| ||
| 117 | T | 64.3 | Low | 73.2 | Confident | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.043 | 35% | 0.346 | C | S | . | . | trans | -61.9 | 114.5 | 169.7 | -30.7 | 0 | 0 | 0 | 0 | 106.2 | S119 Y570 R604 M608 | T117-S119 PolarHBondContact O-N 2.83Å; T117-Y570 PolarHBondContact N-OH 3.34Å; T117-Y570 WeakPolarHBondContact O-CE1 3.46Å; T117-Y570 WeakPolarHBondContact OG1-CE2 3.49Å; T117-R604 HydrophobicContact CG2-CB 4.47Å; T117-R604 HydrophobicContact CG2-CG 4.33Å; T117-R604 VanDerWaalsContact CG2-NH2 3.32Å; T117-M608 HydrophobicContact CG2-CE 3.81Å | ||
| 118 | S | 64.5 | Low | 73.6 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | trans | -51 | 130.7 | -167.1 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | E116 E120 | E116-S118 PolarHBondContact O-N 3.01Å; S118-E120 PolarHBondContact O-N 2.85Å; S118-E120 PolarHBondContact OG-O 3.02Å | ||
| 119 | S | 72.4 | Confident | 74.2 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -65.7 | -19.9 | 170 | 57 | 0 | 0 | 0 | 0 | 111.5 | T117 R567 | T117-S119 PolarHBondContact O-N 2.83Å; S119-R567 PolarHBondContact O-NH1 2.94Å |
| 120 | E | 80.9 | Confident | 74.9 | Confident | 142 Ų | 142 | 59.5 Ų | 59.5 | 66% | 0.664 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -83.2 | 144.1 | 178.9 | -64.5 | -174 | 173.9 | 0 | 0 | 112.4 | S118 R567 | S118-E120 PolarHBondContact O-N 2.85Å; S118-E120 PolarHBondContact OG-O 3.02Å; E120-R567 WeakPolarHBondContact O-CD 3.47Å |
| 121 | P | 85.2 | Confident | 75.8 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 25% | 0.247 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 151.9 | 174.7 | 25.3 | -31.1 | 0 | 0 | 0 | 112 | F125 L126 | P121-F125 HydrophobicContact CB-CD1 3.79Å; P121-F125 HydrophobicContact CB-CE1 4.3Å; P121-L126 HydrophobicContact CB-CD1 4.47Å; P121-L126 HydrophobicContact CB-CD2 4.27Å; P121-L126 HydrophobicContact CB-CG 4.18Å; P121-L126 HydrophobicContact CG-CD1 4.02Å; P121-L126 HydrophobicContact CG-CD2 3.8Å; P121-L126 HydrophobicContact CG-CG 4.02Å |
| 122 | S | 87.3 | Confident | 77.1 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 12% | 0.119 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 153.8 | -179.1 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | W124 F125 L126 | S122-W124 VanDerWaalsContact C-N 3.33Å; S122-W124 VanDerWaalsContact CB-CZ2 3.46Å; S122-W124 PolarHBondContact O-N 2.95Å; S122-W124 PolarHBondContact OG-NE1 3.05Å; S122-F125 WeakPolarHBondContact O-CB 3.48Å; S122-F125 PolarHBondContact O-N 2.68Å; S122-F125 VanDerWaalsContact O-N 3.17Å; S122-F125 WeakPolarHBondContact OG-CB 3.43Å; S122-F125 PolarHBondContact OG-N 3.49Å; S122-L126 WeakPolarHBondContact O-CG 3.2Å; S122-L126 PolarHBondContact O-N 2.72Å |
| 123 | S | 83.8 | Confident | 78.4 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 179.3 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | L126 N127 | S123-L126 PolarHBondContact O-N 2.84Å; S123-N127 WeakPolarHBondContact O-CB 3.41Å; S123-N127 VanDerWaalsContact O-CG 3.23Å; S123-N127 PolarHBondContact O-N 2.84Å; S123-N127 PolarHBondContact O-ND2 2.86Å |
| 124 | W | 88 | Confident | 79.8 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.7 | -33.9 | 176.2 | 56.2 | 90.3 | 0 | 0 | 0 | 112.7 | M99 V104 S122 Y128 E563 H597 Y600 | M99-W124 HydrophobicContact CB-CB 4.45Å; M99-W124 HydrophobicContact CG-CB 4.27Å; V104-W124 HydrophobicContact CG1-CH2 4.41Å; V104-W124 HydrophobicContact CG2-CZ3 4.3Å; S122-W124 VanDerWaalsContact C-N 3.33Å; S122-W124 VanDerWaalsContact CB-CZ2 3.46Å; S122-W124 PolarHBondContact O-N 2.95Å; S122-W124 PolarHBondContact OG-NE1 3.05Å; W124-Y128 WeakPolarHBondContact O-CB 3.5Å; W124-Y128 PolarHBondContact O-N 2.9Å; W124-E563 VanDerWaalsContact CZ2-OE1 3.28Å; W124-E563 WeakPolarHBondContact CZ2-OE1 3.38Å; W124-E563 PolarHBondContact NE1-OE2 2.63Å; W124-H597 AromaticContact CD1-CD2 3.81Å; W124-H597 AromaticContact CD2-CD2 3.64Å; W124-H597 AromaticContact CD2-NE2 3.76Å; W124-H597 AromaticContact CE2-CD2 3.63Å; W124-H597 AromaticContact CG-CD2 3.75Å; W124-H597 AromaticContact CG-NE2 3.72Å; W124-H597 AromaticContact NE1-CD2 3.74Å; W124-Y600 AromaticContact CH2-CD1 3.52Å; W124-Y600 HydrophobicContact CH2-CD1 3.52Å; W124-Y600 AromaticContact CH2-CE1 3.39Å; W124-Y600 HydrophobicContact CH2-CE1 3.39Å; W124-Y600 HydrophobicContact CH2-CG 4.26Å; W124-Y600 AromaticContact CZ2-CD1 3.59Å; W124-Y600 HydrophobicContact CZ2-CD1 3.59Å; W124-Y600 AromaticContact CZ2-CE1 3.64Å; W124-Y600 HydrophobicContact CZ2-CE1 3.64Å |
| 125 | F | 90.1 | Very high | 81.4 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -47.4 | 172.6 | 172 | -90 | 0 | 0 | 0 | 110.9 | P121 S122 Y128 R129 L528 L560 F561 E564 | P121-F125 HydrophobicContact CB-CD1 3.79Å; P121-F125 HydrophobicContact CB-CE1 4.3Å; S122-F125 WeakPolarHBondContact O-CB 3.48Å; S122-F125 PolarHBondContact O-N 2.68Å; S122-F125 VanDerWaalsContact O-N 3.17Å; S122-F125 WeakPolarHBondContact OG-CB 3.43Å; S122-F125 PolarHBondContact OG-N 3.49Å; F125-Y128 PolarHBondContact O-N 3.19Å; F125-R129 VanDerWaalsContact O-CB 3.25Å; F125-R129 WeakPolarHBondContact O-CB 3.46Å; F125-R129 PolarHBondContact O-N 3.16Å; F125-L528 HydrophobicContact CE2-CD1 4.07Å; F125-L528 HydrophobicContact CZ-CD1 4.06Å; F125-L560 HydrophobicContact CB-CD2 4.31Å; F125-L560 HydrophobicContact CB-CG 4.36Å; F125-L560 HydrophobicContact CD2-CD2 3.28Å; F125-L560 HydrophobicContact CD2-CG 3.78Å; F125-L560 HydrophobicContact CE2-CD2 3.87Å; F125-L560 HydrophobicContact CG-CD2 4.14Å; F125-F561 HydrophobicContact CE2-CD1 4.41Å; F125-E564 HydrophobicContact CD2-CB 3.89Å; F125-E564 HydrophobicContact CD2-CG 4.03Å; F125-E564 HydrophobicContact CE1-CG 4.26Å; F125-E564 HydrophobicContact CE2-CB 3.72Å; F125-E564 HydrophobicContact CE2-CG 3.53Å; F125-E564 HydrophobicContact CZ-CB 4.36Å; F125-E564 HydrophobicContact CZ-CG 3.66Å |
| 126 | L | 86 | Confident | 82.8 | Confident | 13 Ų | 13 | 32.4 Ų | 32.4 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | -179.4 | -68.6 | 166.6 | 0 | 0 | 0 | 112 | V6 T7 P121 S122 S123 R129 Y130 | V6-L126 HydrophobicContact CG1-CB 4.42Å; T7-L126 HydrophobicContact CG2-CD1 3.82Å; P121-L126 HydrophobicContact CB-CD1 4.47Å; P121-L126 HydrophobicContact CB-CD2 4.27Å; P121-L126 HydrophobicContact CB-CG 4.18Å; P121-L126 HydrophobicContact CG-CD1 4.02Å; P121-L126 HydrophobicContact CG-CD2 3.8Å; P121-L126 HydrophobicContact CG-CG 4.02Å; S122-L126 WeakPolarHBondContact O-CG 3.2Å; S122-L126 PolarHBondContact O-N 2.72Å; S123-L126 PolarHBondContact O-N 2.84Å; L126-R129 PolarHBondContact O-N 3.27Å; L126-Y130 WeakPolarHBondContact O-CB 3.44Å; L126-Y130 PolarHBondContact O-N 3.44Å |
| 127 | N | 84.4 | Confident | 84.2 | Confident | 40 Ų | 40 | 26.6 Ų | 26.6 | 21% | 0.214 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.8 | -48 | 174.6 | -72.9 | -22.8 | 0 | 0 | 0 | 111.6 | I98 S102 S123 R129 Y130 H131 | I98-N127 HydrophobicContact CG2-CB 3.64Å; S102-N127 PolarHBondContact OG-ND2 3.22Å; S123-N127 WeakPolarHBondContact O-CB 3.41Å; S123-N127 VanDerWaalsContact O-CG 3.23Å; S123-N127 PolarHBondContact O-N 2.84Å; S123-N127 PolarHBondContact O-ND2 2.86Å; N127-R129 VanDerWaalsContact C-N 3.32Å; N127-R129 PolarHBondContact O-N 2.81Å; N127-Y130 PolarHBondContact O-N 3.3Å; N127-H131 WeakPolarHBondContact O-CB 3.43Å; N127-H131 PolarHBondContact O-CD2 3Å; N127-H131 PolarHBondContact O-N 2.87Å |
| 128 | Y | 89.3 | Confident | 85.2 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.7 | -49.9 | 176 | 178 | -85.6 | 0 | 0 | 0 | 110.8 | L95 M99 W124 F125 Y130 H131 L132 V556 A557 L560 F561 | L95-Y128 HydrophobicContact CB-CD2 3.96Å; L95-Y128 HydrophobicContact CB-CE2 3.98Å; L95-Y128 HydrophobicContact CD1-CD2 4.06Å; L95-Y128 HydrophobicContact CD1-CE2 3.6Å; L95-Y128 HydrophobicContact CD2-CD2 4.08Å; L95-Y128 HydrophobicContact CD2-CE2 4.46Å; L95-Y128 HydrophobicContact CG-CD2 4.26Å; L95-Y128 HydrophobicContact CG-CE2 4.23Å; M99-Y128 HydrophobicContact CG-CD2 4.49Å; M99-Y128 HydrophobicContact SD-CD2 3.7Å; M99-Y128 HydrophobicContact SD-CE2 4.42Å; M99-Y128 HydrophobicContact SD-CG 4.43Å; W124-Y128 WeakPolarHBondContact O-CB 3.5Å; W124-Y128 PolarHBondContact O-N 2.9Å; F125-Y128 PolarHBondContact O-N 3.19Å; Y128-Y130 PolarHBondContact O-N 3.3Å; Y128-H131 PolarHBondContact O-N 3.44Å; Y128-L132 HydrophobicContact CE1-CB 4.45Å; Y128-L132 HydrophobicContact CE1-CD1 3.8Å; Y128-L132 WeakPolarHBondContact O-CB 3.43Å; Y128-L132 PolarHBondContact O-N 3.32Å; Y128-L132 WeakPolarHBondContact OH-CD1 3.44Å; Y128-V556 HydrophobicContact CE2-CG1 4.16Å; Y128-A557 WeakPolarHBondContact OH-CB 3.48Å; Y128-L560 HydrophobicContact CD1-CD2 3.49Å; Y128-L560 VanDerWaalsContact CD1-CD2 3.49Å; Y128-L560 HydrophobicContact CE1-CD2 4.09Å; Y128-L560 HydrophobicContact CG-CD1 4.37Å; Y128-L560 HydrophobicContact CG-CD2 3.8Å; Y128-F561 HydrophobicContact CE1-CE1 4.38Å |
| 129 | R | 88.8 | Confident | 86.1 | Confident | 7 Ų | 7 | 24.6 Ų | 24.6 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57 | -49.9 | 178.3 | 163.7 | 170.5 | 100.4 | 147 | 3.7 | 111.8 | D11 F14 F125 L126 N127 L133 L528 S532 | D11-R129 IonicContact OD1-CZ 3.82Å; D11-R129 IonicContact OD1-NH1 3.86Å; D11-R129 PolarHBondContact OD1-NH1 3.19Å; D11-R129 IonicContact OD1-NH2 3.05Å; D11-R129 PolarHBondContact OD1-NH2 2.82Å; F14-R129 HydrophobicContact CE1-CG 3.76Å; F14-R129 HydrophobicContact CE2-CG 4.39Å; F14-R129 HydrophobicContact CZ-CG 3.48Å; F14-R129 VanDerWaalsContact CZ-CG 3.48Å; F125-R129 VanDerWaalsContact O-CB 3.25Å; F125-R129 WeakPolarHBondContact O-CB 3.46Å; F125-R129 PolarHBondContact O-N 3.16Å; L126-R129 PolarHBondContact O-N 3.27Å; N127-R129 VanDerWaalsContact C-N 3.32Å; N127-R129 PolarHBondContact O-N 2.81Å; R129-L133 HydrophobicContact CG-CD1 4.19Å; R129-L133 WeakPolarHBondContact O-CB 3.48Å; R129-L133 VanDerWaalsContact O-CG 3.3Å; R129-L133 WeakPolarHBondContact O-CG 3.48Å; R129-L133 PolarHBondContact O-N 3.22Å; R129-L133 VanDerWaalsContact O-N 3.14Å; R129-L528 HydrophobicContact CB-CD1 4.46Å; R129-L528 HydrophobicContact CB-CD2 3.74Å; R129-L528 HydrophobicContact CB-CG 4.48Å; R129-L528 HydrophobicContact CG-CD2 3.49Å; R129-L528 VanDerWaalsContact CG-CD2 3.49Å; R129-L528 HydrophobicContact CG-CG 4.24Å; R129-S532 VanDerWaalsContact NH1-CB 3.34Å; R129-S532 PolarHBondContact NH1-OG 3.38Å |
| 130 | Y | 86 | Confident | 86.6 | Confident | 22 Ų | 22 | 24.2 Ų | 24.2 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.7 | -53.2 | -179.6 | 171.8 | -102.8 | 0 | 0 | 0 | 111.7 | V6 F14 L17 L126 N127 Y128 L132 L133 K134 P258 | V6-Y130 HydrophobicContact CG1-CD2 4.38Å; V6-Y130 HydrophobicContact CG1-CG 4.09Å; V6-Y130 HydrophobicContact CG2-CD1 4.04Å; V6-Y130 HydrophobicContact CG2-CD2 3.91Å; V6-Y130 HydrophobicContact CG2-CE1 4.39Å; V6-Y130 HydrophobicContact CG2-CE2 4.26Å; V6-Y130 HydrophobicContact CG2-CG 3.78Å; F14-Y130 HydrophobicContact CE2-CD2 4.06Å; L17-Y130 HydrophobicContact CD2-CD2 4.29Å; L17-Y130 HydrophobicContact CD2-CE2 3.86Å; L17-Y130 HydrophobicContact CG-CE2 4.47Å; L126-Y130 WeakPolarHBondContact O-CB 3.44Å; L126-Y130 PolarHBondContact O-N 3.44Å; N127-Y130 PolarHBondContact O-N 3.3Å; Y128-Y130 PolarHBondContact O-N 3.3Å; Y130-L132 PolarHBondContact O-N 3.5Å; Y130-L133 PolarHBondContact O-N 3.21Å; Y130-K134 WeakPolarHBondContact O-CB 3.45Å; Y130-K134 PolarHBondContact O-N 3.4Å; Y130-P258 HydrophobicContact CE1-CG 4.11Å |
| 131 | H | 86.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 17.5 Ų | 17.5 | 2% | 0.023 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.5 | -37 | -175.3 | -74.2 | -72.3 | 0 | 0 | 0 | 112.5 | L95 I98 N127 Y128 H135 L261 | L95-H131 HydrophobicContact CD2-CB 3.72Å; I98-H131 HydrophobicContact CD1-CB 3.98Å; I98-H131 WeakPolarHBondContact CD1-CD2 3.41Å; N127-H131 WeakPolarHBondContact O-CB 3.43Å; N127-H131 PolarHBondContact O-CD2 3Å; N127-H131 PolarHBondContact O-N 2.87Å; Y128-H131 PolarHBondContact O-N 3.44Å; H131-H135 AromaticContact ND1-CD2 3.72Å; H131-H135 AromaticContact ND1-NE2 3.66Å; H131-H135 WeakPolarHBondContact O-CB 3.47Å; H131-H135 PolarHBondContact O-CD2 2.58Å; H131-H135 PolarHBondContact O-N 3.37Å; H131-L261 HydrophobicContact CB-CD1 4.36Å; H131-L261 HydrophobicContact CB-CD2 4.34Å |
| 132 | L | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.4 | -52.9 | 174.1 | 179.8 | 128.3 | 0 | 0 | 0 | 110.9 | L95 Y128 Y130 K134 L136 W521 V524 L528 | L95-L132 HydrophobicContact CD1-CB 4.2Å; L95-L132 HydrophobicContact CD1-CD1 4Å; L95-L132 HydrophobicContact CD2-CB 4.47Å; Y128-L132 HydrophobicContact CE1-CB 4.45Å; Y128-L132 HydrophobicContact CE1-CD1 3.8Å; Y128-L132 WeakPolarHBondContact O-CB 3.43Å; Y128-L132 PolarHBondContact O-N 3.32Å; Y128-L132 WeakPolarHBondContact OH-CD1 3.44Å; Y130-L132 PolarHBondContact O-N 3.5Å; L132-K134 VanDerWaalsContact C-N 3.34Å; L132-K134 PolarHBondContact O-N 3.21Å; L132-L136 WeakPolarHBondContact O-CB 3.46Å; L132-L136 PolarHBondContact O-N 3.24Å; L132-W521 HydrophobicContact CD1-CE3 3.79Å; L132-W521 HydrophobicContact CD1-CZ3 3.6Å; L132-V524 HydrophobicContact CD1-CG1 4.2Å; L132-L528 HydrophobicContact CD2-CD2 4.31Å |
| 133 | L | 88.9 | Confident | 87.2 | Confident | 8 Ų | 8 | 16 Ų | 16 | 4% | 0.042 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -70.2 | -33.1 | -176 | -64.9 | 179.6 | 0 | 0 | 0 | 112.6 | F14 L18 R129 Y130 R145 R525 L528 L529 | F14-L133 HydrophobicContact CE1-CD1 3.67Å; F14-L133 HydrophobicContact CZ-CD1 3.88Å; L18-L133 HydrophobicContact CD1-CB 3.66Å; L18-L133 HydrophobicContact CD1-CD1 3.34Å; L18-L133 HydrophobicContact CD1-CG 4.11Å; L18-L133 HydrophobicContact CD2-CB 3.5Å; L18-L133 HydrophobicContact CG-CB 4.2Å; R129-L133 HydrophobicContact CG-CD1 4.19Å; R129-L133 WeakPolarHBondContact O-CB 3.48Å; R129-L133 VanDerWaalsContact O-CG 3.3Å; R129-L133 WeakPolarHBondContact O-CG 3.48Å; R129-L133 PolarHBondContact O-N 3.22Å; R129-L133 VanDerWaalsContact O-N 3.14Å; Y130-L133 PolarHBondContact O-N 3.21Å; L133-R145 PolarHBondContact O-NH1 2.92Å; L133-R525 HydrophobicContact CD2-CB 4.21Å; L133-R525 HydrophobicContact CD2-CG 3.54Å; L133-L528 HydrophobicContact CD1-CD2 3.75Å; L133-L528 HydrophobicContact CD2-CD2 4.33Å; L133-L528 HydrophobicContact CG-CD2 3.96Å; L133-L529 HydrophobicContact CD1-CD2 3.77Å; L133-L529 HydrophobicContact CD1-CG 4.29Å; L133-L529 HydrophobicContact CD2-CD1 4.5Å; L133-L529 HydrophobicContact CD2-CD2 4.45Å; L133-L529 HydrophobicContact CD2-CG 4.3Å |
| 134 | K | 86.2 | Confident | 87.5 | Confident | 16 Ų | 16 | 14.7 Ų | 14.7 | 7% | 0.07 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -75 | -38.2 | 179.7 | -174.5 | 64.1 | 169.5 | 178 | 0 | 113.3 | D76 R78 F85 Y130 L132 | D76-K134 IonicContact OD1-NZ 2.66Å; D76-K134 PolarHBondContact OD1-NZ 3.27Å; D76-K134 WeakPolarHBondContact OD2-CE 3.46Å; D76-K134 IonicContact OD2-NZ 3.87Å; D76-K134 PolarHBondContact OD2-NZ 3.26Å; R78-K134 PolarHBondContact NH2-O 3.5Å; F85-K134 WeakPolarHBondContact CE1-O 3.3Å; Y130-K134 WeakPolarHBondContact O-CB 3.45Å; Y130-K134 PolarHBondContact O-N 3.4Å; L132-K134 VanDerWaalsContact C-N 3.34Å; L132-K134 PolarHBondContact O-N 3.21Å |
| 135 | H | 87.4 | Confident | 87.5 | Confident | 21 Ų | 21 | 15.3 Ų | 15.3 | 10% | 0.097 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -111 | -15.7 | -169.6 | -63 | -80.8 | 0 | 0 | 0 | 115.2 | F85 L86 L91 H131 E137 L261 | F85-H135 CarbonylContact C-O 3.58Å; F85-H135 WeakPolarHBondContact CA-O 3.37Å; L86-H135 HydrophobicContact CD1-CB 4.47Å; L86-H135 HydrophobicContact CG-CB 4.49Å; L86-H135 PolarHBondContact N-O 2.97Å; L91-H135 HydrophobicContact CD1-CB 4.16Å; H131-H135 AromaticContact ND1-CD2 3.72Å; H131-H135 AromaticContact ND1-NE2 3.66Å; H131-H135 WeakPolarHBondContact O-CB 3.47Å; H131-H135 PolarHBondContact O-CD2 2.58Å; H131-H135 PolarHBondContact O-N 3.37Å; H135-E137 PolarHBondContact O-N 3.21Å; H135-L261 HydrophobicContact CB-CD2 3.69Å |
| 136 | L | 89.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.016 | 8% | 0.076 | C | C | . | . | B | Isolated β-bridge | trans | -57.3 | 133.5 | 176.2 | 179.2 | 68.6 | 0 | 0 | 0 | 111.2 | P88 L91 L132 R145 W521 | P88-L136 HydrophobicContact CG-CD1 4.2Å; L91-L136 HydrophobicContact CD2-CB 3.85Å; L91-L136 HydrophobicContact CD2-CD1 3.81Å; L91-L136 HydrophobicContact CD2-CG 4.45Å; L132-L136 WeakPolarHBondContact O-CB 3.46Å; L132-L136 PolarHBondContact O-N 3.24Å; L136-R145 PolarHBondContact O-NH1 3.02Å; L136-W521 HydrophobicContact CD1-CB 4.12Å; L136-W521 HydrophobicContact CD2-CB 4.31Å |
| 137 | E | 87.6 | Confident | 87.9 | Confident | 44 Ų | 44 | 14.7 Ų | 14.7 | 21% | 0.206 | 7% | 0.073 | C | C | . | . | P | Polyproline II helix | trans | -53.9 | 140.8 | 177.7 | 66.1 | 173.9 | 177.2 | 0 | 0 | 114.1 | F85 L86 P88 H135 R145 S193 | F85-E137 HydrophobicContact CB-CB 4.35Å; L86-E137 PolarHBondContact O-N 3.17Å; P88-E137 VanDerWaalsContact CD-OE1 3.3Å; P88-E137 WeakPolarHBondContact CD-OE1 3.4Å; H135-E137 PolarHBondContact O-N 3.21Å; E137-R145 PolarHBondContact O-NH2 3.31Å; E137-S193 WeakPolarHBondContact CB-OG 3.35Å; E137-S193 PolarHBondContact OE2-OG 3Å |
| 138 | P | 85.6 | Confident | 88.3 | Confident | 5 Ų | 5 | 12.8 Ų | 12.8 | 3% | 0.032 | 6% | 0.064 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 136.2 | 177.8 | 25.6 | -32.4 | 0 | 0 | 0 | 111.9 | F85 E142 R145 K196 | F85-P138 HydrophobicContact CD2-CG 4.44Å; P138-E142 VanDerWaalsContact CA-OE1 3.28Å; P138-E142 WeakPolarHBondContact CA-OE1 3.28Å; P138-E142 HydrophobicContact CB-CG 4.4Å; P138-R145 HydrophobicContact CB-CB 3.91Å; P138-K196 HydrophobicContact CG-CD 4.03Å; P138-K196 PolarHBondContact O-NZ 3.45Å |
| 139 | G | 84.4 | Confident | 88.5 | Confident | 10 Ų | 10 | 12.7 Ų | 12.7 | 10% | 0.103 | 6% | 0.063 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 160.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H141 E142 K196 | G139-H141 PolarHBondContact O-N 3.15Å; G139-E142 PolarHBondContact N-OE1 2.84Å; G139-K196 PolarHBondContact O-NZ 3.42Å |
| 140 | N | 82.5 | Confident | 88.8 | Confident | 63 Ų | 63 | 12.4 Ų | 12.4 | 34% | 0.337 | 6% | 0.062 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15.4 | 175.7 | -67.9 | -18.5 | 0 | 0 | 0 | 113.6 | K196 F480 | N140-K196 PolarHBondContact OD1-NZ 2.75Å; N140-F480 HydrophobicContact CB-CE1 4.17Å |
| 141 | H | 86.8 | Confident | 89.3 | Confident | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.8 | -177.9 | 64.8 | -87.9 | 0 | 0 | 0 | 113.9 | G139 F480 N481 Y513 | G139-H141 PolarHBondContact O-N 3.15Å; H141-F480 HydrophobicContact CB-CD1 3.72Å; H141-F480 HydrophobicContact CB-CE1 3.96Å; H141-F480 HydrophobicContact CB-CG 4.49Å; H141-F480 AromaticContact CE1-CE1 3.96Å; H141-F480 AromaticContact CE1-CZ 3.69Å; H141-F480 AromaticContact CG-CD1 3.84Å; H141-F480 AromaticContact CG-CE1 3.8Å; H141-F480 AromaticContact ND1-CD1 3.35Å; H141-F480 VanDerWaalsContact ND1-CD1 3.35Å; H141-F480 WeakPolarHBondContact ND1-CD1 3.11Å; H141-F480 AromaticContact ND1-CD2 3.99Å; H141-F480 AromaticContact ND1-CE1 2.94Å; H141-F480 WeakPolarHBondContact ND1-CE1 3.21Å; H141-F480 AromaticContact ND1-CE2 3.63Å; H141-F480 AromaticContact ND1-CG 3.87Å; H141-F480 AromaticContact ND1-CZ 3.09Å; H141-F480 WeakPolarHBondContact ND1-CZ 3.38Å; H141-N481 WeakPolarHBondContact CB-OD1 3.42Å; H141-Y513 AromaticContact CE1-CE1 3.71Å; H141-Y513 AromaticContact CE1-CZ 3.92Å; H141-Y513 PolarHBondContact CE1-OH 3.02Å; H141-Y513 AromaticContact NE2-CE1 3.98Å; H141-Y513 AromaticContact NE2-CZ 3.73Å; H141-Y513 PolarHBondContact NE2-OH 2.88Å |
| 142 | E | 88.1 | Confident | 89.8 | Confident | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.009 | 6% | 0.057 | C | C | . | . | trans | -126.9 | 148.9 | -174 | 67.4 | 176.2 | 178.2 | 0 | 0 | 112.6 | P138 G139 I144 R145 R525 | P138-E142 VanDerWaalsContact CA-OE1 3.28Å; P138-E142 WeakPolarHBondContact CA-OE1 3.28Å; P138-E142 HydrophobicContact CB-CG 4.4Å; G139-E142 PolarHBondContact N-OE1 2.84Å; E142-I144 HydrophobicContact CB-CG1 4.37Å; E142-R145 IonicContact OE1-CZ 3.65Å; E142-R145 IonicContact OE1-NE 3.8Å; E142-R145 PolarHBondContact OE1-NE 3.35Å; E142-R145 IonicContact OE1-NH2 3.24Å; E142-R145 PolarHBondContact OE1-NH2 2.91Å; E142-R525 IonicContact OE1-NH1 2.72Å; E142-R525 PolarHBondContact OE1-NH1 3.18Å; E142-R525 IonicContact OE2-CZ 3.53Å; E142-R525 IonicContact OE2-NH1 3.6Å; E142-R525 PolarHBondContact OE2-NH1 2.96Å; E142-R525 IonicContact OE2-NH2 3.7Å; E142-R525 PolarHBondContact OE2-NH2 2.92Å | ||
| 143 | F | 91 | Very high | 90.1 | Very high | 21 Ų | 21 | 11.1 Ų | 11.1 | 9% | 0.092 | 6% | 0.057 | C | C | . | . | trans | -119.7 | -6.4 | 177.9 | -56 | -83.6 | 0 | 0 | 0 | 113.2 | R145 C146 F198 M444 R447 R448 D451 | F143-R145 PolarHBondContact O-N 3.12Å; F143-R145 VanDerWaalsContact O-N 3.1Å; F143-C146 WeakPolarHBondContact O-CB 3.5Å; F143-C146 PolarHBondContact O-N 3.34Å; F143-F198 HydrophobicContact CB-CD2 3.76Å; F143-F198 HydrophobicContact CB-CE2 3.44Å; F143-F198 VanDerWaalsContact CB-CE2 3.44Å; F143-F198 HydrophobicContact CB-CZ 4.12Å; F143-F198 WeakPolarHBondContact O-CD2 3.35Å; F143-M444 HydrophobicContact CE2-SD 4.34Å; F143-M444 HydrophobicContact CZ-SD 4.28Å; F143-R447 HydrophobicContact CD2-CB 4.37Å; F143-R447 HydrophobicContact CD2-CG 3.82Å; F143-R447 HydrophobicContact CE2-CB 4.1Å; F143-R447 HydrophobicContact CE2-CG 3.85Å; F143-R448 HydrophobicContact CD1-CG 4.02Å; F143-R448 HydrophobicContact CD2-CG 3.68Å; F143-R448 HydrophobicContact CE1-CG 4.1Å; F143-R448 HydrophobicContact CE2-CG 3.76Å; F143-R448 HydrophobicContact CG-CG 3.82Å; F143-R448 HydrophobicContact CZ-CG 3.97Å; F143-D451 WeakPolarHBondContact CA-OD2 2.94Å; F143-D451 HydrophobicContact CB-CB 4.08Å; F143-D451 WeakPolarHBondContact CB-OD2 3.42Å; F143-D451 PolarHBondContact N-OD2 3.39Å | ||
| 144 | I | 90.2 | Very high | 90.4 | Very high | 16 Ų | 16 | 10.7 Ų | 10.7 | 8% | 0.082 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.3 | 179.2 | 56.6 | 162.6 | 0 | 0 | 0 | 114.1 | E142 D451 F454 L455 M488 | E142-I144 HydrophobicContact CB-CG1 4.37Å; I144-D451 HydrophobicContact CG2-CB 3.78Å; I144-F454 HydrophobicContact CG2-CD1 4.33Å; I144-L455 HydrophobicContact CB-CD2 4.44Å; I144-M488 HydrophobicContact CD1-SD 4.3Å; I144-M488 HydrophobicContact CG2-CE 3.97Å |
| 145 | R | 88.2 | Confident | 90.8 | Very high | 16 Ų | 16 | 10 Ų | 10 | 6% | 0.06 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 19.3 | 179.4 | -72.1 | -175.1 | -65.8 | -178.7 | 17.3 | 112.4 | F85 L133 L136 E137 P138 E142 F143 | F85-R145 HydrophobicContact CE1-CB 4.38Å; F85-R145 WeakPolarHBondContact CE2-O 3.5Å; F85-R145 HydrophobicContact CZ-CB 4.04Å; L133-R145 PolarHBondContact O-NH1 2.92Å; L136-R145 PolarHBondContact O-NH1 3.02Å; E137-R145 PolarHBondContact O-NH2 3.31Å; P138-R145 HydrophobicContact CB-CB 3.91Å; E142-R145 IonicContact OE1-CZ 3.65Å; E142-R145 IonicContact OE1-NE 3.8Å; E142-R145 PolarHBondContact OE1-NE 3.35Å; E142-R145 IonicContact OE1-NH2 3.24Å; E142-R145 PolarHBondContact OE1-NH2 2.91Å; F143-R145 PolarHBondContact O-N 3.12Å; F143-R145 VanDerWaalsContact O-N 3.1Å |
| 146 | C | 90.7 | Very high | 91 | Very high | 4 Ų | 4 | 9.3 Ų | 9.3 | 3% | 0.027 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -88 | 147.4 | 170.3 | -67.8 | 0 | 0 | 0 | 0 | 110.5 | F143 V148 K196 F198 | F143-C146 WeakPolarHBondContact O-CB 3.5Å; F143-C146 PolarHBondContact O-N 3.34Å; C146-V148 PolarHBondContact O-N 3.11Å; C146-K196 CarbonylContact C-O 3.5Å; C146-K196 VanDerWaalsContact CA-O 3.3Å; C146-K196 WeakPolarHBondContact CA-O 3.4Å; C146-K196 HydrophobicContact CB-CB 4.45Å; C146-K196 WeakPolarHBondContact CB-O 3.33Å; C146-K196 VanDerWaalsContact SG-CB 3.59Å; C146-F198 HydrophobicContact CB-CB 4.2Å; C146-F198 HydrophobicContact CB-CD2 4.33Å |
| 147 | Y | 92.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.008 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 120.9 | 175.9 | -67.1 | -75.4 | 0 | 0 | 0 | 110.7 | V22 A24 R78 L80 P195 K196 W197 F198 | V22-Y147 HydrophobicContact CB-CD1 4.22Å; V22-Y147 HydrophobicContact CG1-CD1 3.58Å; V22-Y147 HydrophobicContact CG1-CE1 3.43Å; V22-Y147 VanDerWaalsContact CG1-CE1 3.43Å; V22-Y147 WeakPolarHBondContact O-CA 3.45Å; A24-Y147 HydrophobicContact CB-CD1 3.64Å; A24-Y147 HydrophobicContact CB-CE1 3.93Å; A24-Y147 HydrophobicContact CB-CG 4.17Å; R78-Y147 HydrophobicContact CB-CE1 4.24Å; L80-Y147 HydrophobicContact CD1-CD2 4.41Å; L80-Y147 HydrophobicContact CD1-CE1 4.32Å; L80-Y147 HydrophobicContact CD1-CE2 4.03Å; Y147-P195 HydrophobicContact CD2-CB 3.91Å; Y147-P195 HydrophobicContact CE2-CB 3.57Å; Y147-K196 WeakPolarHBondContact CD2-O 3.49Å; Y147-K196 PolarHBondContact N-O 2.9Å; Y147-W197 HydrophobicContact CG-CZ3 4.47Å; Y147-F198 WeakPolarHBondContact O-CB 3.46Å; Y147-F198 PolarHBondContact O-N 3.19Å |
| 148 | V | 93.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.006 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -27.7 | 178.1 | -173 | 0 | 0 | 0 | 0 | 110.9 | P21 V22 C146 F203 L363 Y366 L455 | P21-V148 HydrophobicContact CB-CG2 4.21Å; V22-V148 PolarHBondContact O-N 3Å; C146-V148 PolarHBondContact O-N 3.11Å; V148-F203 PolarHBondContact O-N 2.9Å; V148-L363 HydrophobicContact CG1-CD1 4.01Å; V148-Y366 HydrophobicContact CG1-CD1 4.27Å; V148-Y366 HydrophobicContact CG1-CE1 3.77Å; V148-L455 HydrophobicContact CG2-CD1 4.48Å |
| 149 | G | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 179.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A24 F203 | A24-G149 PolarHBondContact N-O 3.49Å; G149-F203 CarbonylContact C-O 3.58Å; G149-F203 WeakPolarHBondContact CA-O 3.41Å |
| 150 | C | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.2 | 177.5 | -165.4 | 0 | 0 | 0 | 0 | 111.5 | A24 F152 Q172 W197 I202 F203 Y205 | A24-C150 HydrophobicContact CB-CB 4.17Å; A24-C150 CarbonylContact O-C 3.58Å; A24-C150 VanDerWaalsContact O-CA 3.26Å; A24-C150 WeakPolarHBondContact O-CA 3.19Å; C150-F152 HydrophobicContact CB-CE1 4.43Å; C150-F152 HydrophobicContact CB-CE2 3.99Å; C150-F152 HydrophobicContact CB-CZ 3.8Å; C150-Q172 HydrophobicContact CB-CG 4.16Å; C150-W197 HydrophobicContact CB-CH2 3.91Å; C150-W197 HydrophobicContact CB-CZ3 4.06Å; C150-I202 HydrophobicContact CB-CD1 3.76Å; C150-F203 PolarHBondContact N-O 3.08Å; C150-Y205 PolarHBondContact O-N 3.44Å; C150-Y205 VanDerWaalsContact O-N 3.07Å |
| 151 | L | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.3 | 172.5 | 178.2 | 66.4 | 0 | 0 | 0 | 109.2 | V23 A24 V25 L26 F42 F77 V153 Y205 L207 F354 F358 | V23-L151 HydrophobicContact CG1-CB 4.3Å; A24-L151 PolarHBondContact O-N 2.88Å; V25-L151 WeakPolarHBondContact CA-O 3.41Å; V25-L151 HydrophobicContact CG1-CD2 4.44Å; V25-L151 HydrophobicContact CG2-CB 4.32Å; V25-L151 HydrophobicContact CG2-CD2 4.3Å; L26-L151 PolarHBondContact N-O 3.43Å; F42-L151 HydrophobicContact CE1-CD2 3.75Å; F42-L151 HydrophobicContact CZ-CD2 4.18Å; F77-L151 HydrophobicContact CE1-CD2 4.31Å; L151-V153 HydrophobicContact CD2-CG2 4.05Å; L151-V153 HydrophobicContact CG-CG2 3.81Å; L151-Y205 WeakPolarHBondContact CA-O 3.47Å; L151-Y205 HydrophobicContact CD1-CD1 3.77Å; L151-Y205 HydrophobicContact CD1-CG 4.37Å; L151-L207 HydrophobicContact CD1-CB 3.99Å; L151-F354 HydrophobicContact CD1-CE2 4.49Å; L151-F354 HydrophobicContact CD1-CZ 4.14Å; L151-F354 HydrophobicContact CD2-CE1 4.42Å; L151-F354 HydrophobicContact CD2-CZ 3.8Å; L151-F358 HydrophobicContact CD1-CD2 4.46Å; L151-F358 HydrophobicContact CD1-CE2 4.39Å |
| 152 | F | 96.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.1 | 179 | -58.1 | -79.9 | 0 | 0 | 0 | 109.6 | L26 C150 L168 V169 Q172 K204 Y205 Y206 L207 | L26-F152 HydrophobicContact CB-CD1 4.32Å; L26-F152 HydrophobicContact CD1-CD1 4.47Å; L26-F152 HydrophobicContact CD1-CE1 4.06Å; C150-F152 HydrophobicContact CB-CE1 4.43Å; C150-F152 HydrophobicContact CB-CE2 3.99Å; C150-F152 HydrophobicContact CB-CZ 3.8Å; F152-L168 HydrophobicContact CD1-CB 3.77Å; F152-L168 HydrophobicContact CE1-CB 4.4Å; F152-V169 HydrophobicContact CD1-CG2 4.03Å; F152-V169 HydrophobicContact CD2-CG2 4.13Å; F152-V169 HydrophobicContact CE1-CB 4.31Å; F152-V169 HydrophobicContact CE1-CG2 3.81Å; F152-V169 HydrophobicContact CE2-CG2 3.94Å; F152-V169 HydrophobicContact CG-CG2 4.17Å; F152-V169 HydrophobicContact CZ-CB 4.36Å; F152-V169 HydrophobicContact CZ-CG2 3.76Å; F152-Q172 HydrophobicContact CE1-CB 3.84Å; F152-Q172 HydrophobicContact CE1-CG 4.39Å; F152-Q172 HydrophobicContact CZ-CB 3.97Å; F152-Q172 HydrophobicContact CZ-CG 4.08Å; F152-K204 HydrophobicContact CE2-CB 3.97Å; F152-K204 HydrophobicContact CE2-CD 4.19Å; F152-K204 HydrophobicContact CE2-CG 3.94Å; F152-Y205 PolarHBondContact N-O 3.27Å; F152-Y206 HydrophobicContact CB-CD1 4.09Å; F152-Y206 AromaticContact CD2-CD1 3.99Å; F152-Y206 HydrophobicContact CD2-CD1 3.99Å; F152-Y206 AromaticContact CD2-CE1 3.8Å; F152-Y206 HydrophobicContact CD2-CE1 3.8Å; F152-Y206 HydrophobicContact CE2-CE1 4.4Å; F152-Y206 HydrophobicContact CG-CD1 4.37Å; F152-Y206 HydrophobicContact CG-CE1 4.4Å; F152-L207 PolarHBondContact O-N 2.88Å |
| 153 | V | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 116.5 | -171.3 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | V25 L26 A27 S28 A31 F42 L151 L207 I209 | V25-V153 HydrophobicContact CG1-CG2 3.94Å; L26-V153 PolarHBondContact O-N 3.34Å; A27-V153 CarbonylContact C-O 3.53Å; A27-V153 WeakPolarHBondContact CA-O 3.29Å; A27-V153 HydrophobicContact CB-CB 3.95Å; A27-V153 HydrophobicContact CB-CG1 4.5Å; S28-V153 PolarHBondContact N-O 3.1Å; S28-V153 PolarHBondContact OG-O 3.48Å; A31-V153 HydrophobicContact CB-CG1 4.06Å; F42-V153 HydrophobicContact CD1-CB 4.44Å; F42-V153 HydrophobicContact CD1-CG1 4.28Å; F42-V153 HydrophobicContact CD1-CG2 3.77Å; F42-V153 HydrophobicContact CD2-CG1 4.27Å; F42-V153 HydrophobicContact CE1-CG1 4.38Å; F42-V153 HydrophobicContact CE1-CG2 3.52Å; F42-V153 HydrophobicContact CE2-CG1 4.35Å; F42-V153 HydrophobicContact CG-CG1 4.21Å; F42-V153 HydrophobicContact CZ-CG1 4.41Å; F42-V153 HydrophobicContact CZ-CG2 4.08Å; L151-V153 HydrophobicContact CD2-CG2 4.05Å; L151-V153 HydrophobicContact CG-CG2 3.81Å; V153-L207 WeakPolarHBondContact CA-O 3.38Å; V153-L207 HydrophobicContact CG1-CB 4.48Å; V153-L207 HydrophobicContact CG1-CD2 3.97Å; V153-L207 HydrophobicContact CG1-CG 4.36Å; V153-L207 HydrophobicContact CG2-CB 4.26Å; V153-L207 HydrophobicContact CG2-CD2 4.12Å; V153-I209 HydrophobicContact CG1-CD1 3.47Å; V153-I209 VanDerWaalsContact CG1-CD1 3.47Å; V153-I209 HydrophobicContact CG1-CG1 3.77Å |
| 154 | V | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.3 | -177.4 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | S28 E158 P161 R164 I165 L168 L207 L208 I209 | S28-V154 WeakPolarHBondContact OG-CA 3.2Å; V154-E158 HydrophobicContact CG1-CB 4.48Å; V154-E158 HydrophobicContact CG1-CG 4.2Å; V154-P161 HydrophobicContact CG1-CB 3.97Å; V154-R164 HydrophobicContact CG1-CB 4.08Å; V154-R164 HydrophobicContact CG1-CG 4.25Å; V154-R164 HydrophobicContact CG2-CB 4.33Å; V154-R164 HydrophobicContact CG2-CG 4.13Å; V154-I165 HydrophobicContact CB-CG1 4.07Å; V154-I165 HydrophobicContact CG2-CB 4.5Å; V154-I165 HydrophobicContact CG2-CG1 3.53Å; V154-L168 HydrophobicContact CG2-CD1 3.7Å; V154-L207 PolarHBondContact N-O 3.27Å; V154-L208 HydrophobicContact CB-CD2 4.37Å; V154-L208 CarbonylContact O-C 3.56Å; V154-L208 VanDerWaalsContact O-CA 3.31Å; V154-L208 WeakPolarHBondContact O-CA 3.41Å; V154-I209 PolarHBondContact O-N 3.31Å |
| 155 | S | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 143 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | I34 S157 E158 | I34-S155 WeakPolarHBondContact CD1-OG 3.44Å; S155-S157 WeakPolarHBondContact CB-OG 3.43Å; S155-S157 PolarHBondContact O-N 3.38Å; S155-S157 WeakPolarHBondContact OG-CB 3.26Å; S155-S157 PolarHBondContact OG-N 3.28Å; S155-S157 PolarHBondContact OG-OG 3.36Å; S155-E158 PolarHBondContact O-N 2.94Å |
| 156 | T | 92.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -8 | 167.5 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | L208 I209 H210 C216 A218 L221 L236 | T156-L208 HydrophobicContact CG2-CB 4Å; T156-L208 HydrophobicContact CG2-CD2 4.4Å; T156-I209 PolarHBondContact N-O 3.29Å; T156-I209 PolarHBondContact OG1-O 2.89Å; T156-H210 HydrophobicContact CG2-CB 4.02Å; T156-H210 VanDerWaalsContact OG1-CA 3.32Å; T156-H210 WeakPolarHBondContact OG1-CA 3.47Å; T156-H210 WeakPolarHBondContact OG1-CB 3.35Å; T156-H210 PolarHBondContact OG1-ND1 3.43Å; T156-C216 VanDerWaalsContact CB-SG 3.52Å; T156-C216 PolarHBondContact O-SG 3.47Å; T156-C216 VanDerWaalsContact O-SG 3.32Å; T156-C216 PolarHBondContact OG1-SG 2.74Å; T156-A218 HydrophobicContact CG2-CB 4.12Å; T156-L221 HydrophobicContact CG2-CD2 4.15Å; T156-L236 HydrophobicContact CG2-CD1 4.09Å |
| 157 | S | 87 | Confident | 92.5 | Very high | 50 Ų | 50 | 37 Ų | 37 | 35% | 0.35 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -15.3 | 171.8 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | E30 S155 | E30-S157 PolarHBondContact OE2-OG 3.35Å; S155-S157 WeakPolarHBondContact CB-OG 3.43Å; S155-S157 PolarHBondContact O-N 3.38Å; S155-S157 WeakPolarHBondContact OG-CB 3.26Å; S155-S157 PolarHBondContact OG-N 3.28Å; S155-S157 PolarHBondContact OG-OG 3.36Å |
| 158 | E | 88.3 | Confident | 92.5 | Very high | 22 Ų | 22 | 37 Ų | 37 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -65.8 | 145.1 | -177.8 | -73.6 | -153.7 | -164 | 0 | 0 | 111.3 | S28 E30 V154 S155 N160 P161 R164 | S28-E158 WeakPolarHBondContact CB-OE1 3.48Å; S28-E158 PolarHBondContact OG-OE1 3.29Å; E30-E158 HydrophobicContact CB-CG 4.19Å; E30-E158 HydrophobicContact CG-CG 4.35Å; E30-E158 WeakPolarHBondContact OE2-CA 3.44Å; E30-E158 VanDerWaalsContact OE2-CG 3.27Å; E30-E158 WeakPolarHBondContact OE2-CG 3.37Å; E30-E158 PolarHBondContact OE2-N 3.3Å; V154-E158 HydrophobicContact CG1-CB 4.48Å; V154-E158 HydrophobicContact CG1-CG 4.2Å; S155-E158 PolarHBondContact O-N 2.94Å; E158-N160 VanDerWaalsContact C-N 3.31Å; E158-N160 PolarHBondContact O-N 3.29Å; E158-P161 HydrophobicContact CB-CG 4.17Å; E158-P161 WeakPolarHBondContact O-CD 3.33Å; E158-P161 WeakPolarHBondContact O-CG 3.34Å; E158-R164 WeakPolarHBondContact OE1-CG 3.47Å; E158-R164 IonicContact OE1-NE 2.9Å; E158-R164 WeakPolarHBondContact OE2-CB 3.45Å; E158-R164 VanDerWaalsContact OE2-CD 3.26Å; E158-R164 WeakPolarHBondContact OE2-CD 3.26Å; E158-R164 WeakPolarHBondContact OE2-CG 3.12Å; E158-R164 IonicContact OE2-NE 3.12Å |
| 159 | Q | 84.5 | Confident | 92.6 | Very high | 189 Ų | 189 | 38.1 Ų | 38.1 | 88% | 0.883 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -57.5 | -42.6 | 179 | -75.9 | -172.5 | 2.3 | 0 | 0 | 112.7 | ||
| 160 | N | 88.7 | Confident | 92.5 | Very high | 97 Ų | 97 | 44.4 Ų | 44.4 | 52% | 0.519 | 21% | 0.213 | S | C | . | . | trans | -135.5 | 80.6 | 179.2 | -76.2 | -35.6 | 0 | 0 | 0 | 111 | E158 K162 E163 R164 | E158-N160 VanDerWaalsContact C-N 3.31Å; E158-N160 PolarHBondContact O-N 3.29Å; N160-K162 VanDerWaalsContact C-N 3.31Å; N160-K162 PolarHBondContact O-N 2.77Å; N160-E163 HydrophobicContact CB-CB 3.87Å; N160-E163 PolarHBondContact O-N 2.88Å; N160-E163 VanDerWaalsContact O-N 3.08Å; N160-R164 PolarHBondContact O-N 3.06Å; N160-R164 VanDerWaalsContact O-N 3.12Å | ||
| 161 | P | 89.1 | Confident | 92.3 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 5% | 0.045 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -37.5 | -173.2 | -27.5 | 37.8 | 0 | 0 | 0 | 113.5 | V154 E158 R164 I165 L208 L221 | V154-P161 HydrophobicContact CG1-CB 3.97Å; E158-P161 HydrophobicContact CB-CG 4.17Å; E158-P161 WeakPolarHBondContact O-CD 3.33Å; E158-P161 WeakPolarHBondContact O-CG 3.34Å; P161-R164 PolarHBondContact O-N 3.3Å; P161-I165 WeakPolarHBondContact O-CG1 3.3Å; P161-I165 PolarHBondContact O-N 3.05Å; P161-L208 HydrophobicContact CB-CD2 4.26Å; P161-L221 HydrophobicContact CB-CD1 4.4Å; P161-L221 HydrophobicContact CB-CD2 3.74Å; P161-L221 HydrophobicContact CG-CD1 3.78Å; P161-L221 HydrophobicContact CG-CD2 3.61Å; P161-L221 HydrophobicContact CG-CG 4.28Å |
| 162 | K | 89.9 | Confident | 92 | Very high | 58 Ų | 58 | 47.4 Ų | 47.4 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 176.1 | -80.3 | -175.6 | 165.6 | -177.7 | 0 | 113 | N160 R164 I165 N166 E224 V225 S228 | N160-K162 VanDerWaalsContact C-N 3.31Å; N160-K162 PolarHBondContact O-N 2.77Å; K162-R164 VanDerWaalsContact C-N 3.31Å; K162-I165 PolarHBondContact O-N 3.25Å; K162-N166 PolarHBondContact O-N 2.79Å; K162-N166 PolarHBondContact O-ND2 2.8Å; K162-E224 VanDerWaalsContact CE-C 3.47Å; K162-E224 WeakPolarHBondContact CE-O 3.43Å; K162-E224 PolarHBondContact NZ-O 3.49Å; K162-V225 HydrophobicContact CG-CG2 4.13Å; K162-S228 WeakPolarHBondContact CE-OG 2.98Å; K162-S228 PolarHBondContact NZ-OG 3.49Å |
| 163 | E | 92.4 | Very high | 91.7 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.1 | -41 | 178.2 | -165.1 | -169.2 | 158 | 0 | 0 | 110.2 | N160 N166 R167 | N160-E163 HydrophobicContact CB-CB 3.87Å; N160-E163 PolarHBondContact O-N 2.88Å; N160-E163 VanDerWaalsContact O-N 3.08Å; E163-N166 WeakPolarHBondContact O-CB 3.26Å; E163-N166 PolarHBondContact O-N 3.17Å; E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 2.95Å; E163-R167 IonicContact OE1-CZ 3.88Å; E163-R167 IonicContact OE1-NE 3.47Å; E163-R167 PolarHBondContact OE1-NE 3.27Å; E163-R167 IonicContact OE1-NH2 3.16Å; E163-R167 PolarHBondContact OE1-NH2 2.88Å |
| 164 | R | 93.4 | Very high | 91.2 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 22% | 0.223 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 175 | -167.2 | 76.2 | 165.5 | 141.5 | -7.5 | 112.9 | D29 V154 E158 N160 P161 K162 N166 R167 L168 | D29-R164 IonicContact OD2-NH2 3.04Å; D29-R164 PolarHBondContact OD2-NH2 3.03Å; V154-R164 HydrophobicContact CG1-CB 4.08Å; V154-R164 HydrophobicContact CG1-CG 4.25Å; V154-R164 HydrophobicContact CG2-CB 4.33Å; V154-R164 HydrophobicContact CG2-CG 4.13Å; E158-R164 WeakPolarHBondContact OE1-CG 3.47Å; E158-R164 IonicContact OE1-NE 2.9Å; E158-R164 WeakPolarHBondContact OE2-CB 3.45Å; E158-R164 VanDerWaalsContact OE2-CD 3.26Å; E158-R164 WeakPolarHBondContact OE2-CD 3.26Å; E158-R164 WeakPolarHBondContact OE2-CG 3.12Å; E158-R164 IonicContact OE2-NE 3.12Å; N160-R164 PolarHBondContact O-N 3.06Å; N160-R164 VanDerWaalsContact O-N 3.12Å; P161-R164 PolarHBondContact O-N 3.3Å; K162-R164 VanDerWaalsContact C-N 3.31Å; R164-N166 VanDerWaalsContact C-N 3.26Å; R164-N166 PolarHBondContact O-N 3.22Å; R164-R167 WeakPolarHBondContact O-CB 3.41Å; R164-R167 PolarHBondContact O-N 3.42Å; R164-R167 VanDerWaalsContact O-N 3.12Å; R164-L168 WeakPolarHBondContact O-CG 3.47Å; R164-L168 PolarHBondContact O-N 3.27Å |
| 165 | I | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -52.8 | -48.9 | 172.9 | -71.3 | 171.1 | 0 | 0 | 0 | 109.5 | V154 P161 K162 R167 L168 V169 Y206 V225 Y229 | V154-I165 HydrophobicContact CB-CG1 4.07Å; V154-I165 HydrophobicContact CG2-CB 4.5Å; V154-I165 HydrophobicContact CG2-CG1 3.53Å; P161-I165 WeakPolarHBondContact O-CG1 3.3Å; P161-I165 PolarHBondContact O-N 3.05Å; K162-I165 PolarHBondContact O-N 3.25Å; I165-R167 VanDerWaalsContact C-N 3.34Å; I165-R167 PolarHBondContact O-N 3.18Å; I165-L168 PolarHBondContact O-N 2.95Å; I165-V169 HydrophobicContact CG2-CG2 4.32Å; I165-V169 WeakPolarHBondContact O-CG2 3.24Å; I165-V169 PolarHBondContact O-N 2.77Å; I165-Y206 HydrophobicContact CG2-CD1 3.47Å; I165-Y206 VanDerWaalsContact CG2-CD1 3.47Å; I165-Y206 HydrophobicContact CG2-CE1 3.64Å; I165-V225 HydrophobicContact CD1-CG1 4.28Å; I165-V225 HydrophobicContact CD1-CG2 4.26Å; I165-Y229 HydrophobicContact CD1-CE2 4.35Å; I165-Y229 HydrophobicContact CG2-CE1 4.3Å; I165-Y229 HydrophobicContact CG2-CE2 4.16Å |
| 166 | N | 94.2 | Very high | 90.1 | Very high | 74 Ų | 74 | 56 Ų | 56 | 40% | 0.396 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 179.2 | -71.2 | -29 | 0 | 0 | 0 | 112.8 | K162 E163 R164 V169 Q170 Y229 | K162-N166 PolarHBondContact O-N 2.79Å; K162-N166 PolarHBondContact O-ND2 2.8Å; E163-N166 WeakPolarHBondContact O-CB 3.26Å; E163-N166 PolarHBondContact O-N 3.17Å; R164-N166 VanDerWaalsContact C-N 3.26Å; R164-N166 PolarHBondContact O-N 3.22Å; N166-V169 PolarHBondContact O-N 3.08Å; N166-Q170 WeakPolarHBondContact O-CG 3.2Å; N166-Q170 PolarHBondContact O-N 3.22Å; N166-Y229 PolarHBondContact OD1-OH 3.47Å |
| 167 | R | 94.2 | Very high | 89.5 | Confident | 125 Ų | 125 | 60.7 Ų | 60.7 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.4 | -68.9 | 179.9 | -169.9 | 177.7 | 3.1 | 112 | E163 R164 I165 Q170 Q171 | E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 2.95Å; E163-R167 IonicContact OE1-CZ 3.88Å; E163-R167 IonicContact OE1-NE 3.47Å; E163-R167 PolarHBondContact OE1-NE 3.27Å; E163-R167 IonicContact OE1-NH2 3.16Å; E163-R167 PolarHBondContact OE1-NH2 2.88Å; R164-R167 WeakPolarHBondContact O-CB 3.41Å; R164-R167 PolarHBondContact O-N 3.42Å; R164-R167 VanDerWaalsContact O-N 3.12Å; I165-R167 VanDerWaalsContact C-N 3.34Å; I165-R167 PolarHBondContact O-N 3.18Å; R167-Q170 PolarHBondContact O-N 3.13Å; R167-Q171 PolarHBondContact O-N 3.44Å |
| 168 | L | 93.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | 176.7 | -63.1 | 174.8 | 0 | 0 | 0 | 111.6 | L26 F152 V154 R164 I165 Q171 Q172 | L26-L168 HydrophobicContact CB-CD2 4.44Å; F152-L168 HydrophobicContact CD1-CB 3.77Å; F152-L168 HydrophobicContact CE1-CB 4.4Å; V154-L168 HydrophobicContact CG2-CD1 3.7Å; R164-L168 WeakPolarHBondContact O-CG 3.47Å; R164-L168 PolarHBondContact O-N 3.27Å; I165-L168 PolarHBondContact O-N 2.95Å; L168-Q171 WeakPolarHBondContact O-CB 3.47Å; L168-Q171 PolarHBondContact O-N 3.14Å; L168-Q172 PolarHBondContact O-N 2.91Å |
| 169 | V | 93.6 | Very high | 87 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 174.1 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | F152 I165 N166 Q172 H173 Y206 | F152-V169 HydrophobicContact CD1-CG2 4.03Å; F152-V169 HydrophobicContact CD2-CG2 4.13Å; F152-V169 HydrophobicContact CE1-CB 4.31Å; F152-V169 HydrophobicContact CE1-CG2 3.81Å; F152-V169 HydrophobicContact CE2-CG2 3.94Å; F152-V169 HydrophobicContact CG-CG2 4.17Å; F152-V169 HydrophobicContact CZ-CB 4.36Å; F152-V169 HydrophobicContact CZ-CG2 3.76Å; I165-V169 HydrophobicContact CG2-CG2 4.32Å; I165-V169 WeakPolarHBondContact O-CG2 3.24Å; I165-V169 PolarHBondContact O-N 2.77Å; N166-V169 PolarHBondContact O-N 3.08Å; V169-Q172 PolarHBondContact O-N 2.89Å; V169-H173 WeakPolarHBondContact O-CB 3.07Å; V169-H173 PolarHBondContact O-N 3.27Å; V169-Y206 HydrophobicContact CG2-CE1 3.98Å |
| 170 | Q | 92.3 | Very high | 85.3 | Confident | 133 Ų | 133 | 63.3 Ų | 63.3 | 62% | 0.621 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 174.6 | -74.2 | 172.2 | -1.1 | 0 | 0 | 111.8 | N166 R167 H173 S174 | N166-Q170 WeakPolarHBondContact O-CG 3.2Å; N166-Q170 PolarHBondContact O-N 3.22Å; R167-Q170 PolarHBondContact O-N 3.13Å; Q170-H173 PolarHBondContact O-N 3.48Å; Q170-S174 PolarHBondContact O-N 2.99Å |
| 171 | Q | 90.6 | Very high | 83.2 | Confident | 63 Ų | 63 | 67.2 Ų | 67.2 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.9 | -176.2 | -179 | 4.6 | 0 | 0 | 111.9 | R167 L168 H173 S174 L175 | R167-Q171 PolarHBondContact O-N 3.44Å; L168-Q171 WeakPolarHBondContact O-CB 3.47Å; L168-Q171 PolarHBondContact O-N 3.14Å; Q171-H173 VanDerWaalsContact C-N 3.33Å; Q171-H173 PolarHBondContact O-N 3.24Å; Q171-S174 PolarHBondContact O-N 2.83Å; Q171-S174 PolarHBondContact O-OG 2.97Å; Q171-L175 HydrophobicContact CG-CD1 4.32Å; Q171-L175 WeakPolarHBondContact O-CG 3.34Å; Q171-L175 PolarHBondContact O-N 2.75Å; Q171-L175 VanDerWaalsContact O-N 3.15Å |
| 172 | Q | 91.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 173.5 | 177.6 | -83.2 | -58.9 | 0 | 0 | 111.4 | L26 C150 F152 L168 V169 L175 Q176 W197 I202 | L26-Q172 HydrophobicContact CD1-CB 3.81Å; C150-Q172 HydrophobicContact CB-CG 4.16Å; F152-Q172 HydrophobicContact CE1-CB 3.84Å; F152-Q172 HydrophobicContact CE1-CG 4.39Å; F152-Q172 HydrophobicContact CZ-CB 3.97Å; F152-Q172 HydrophobicContact CZ-CG 4.08Å; L168-Q172 PolarHBondContact O-N 2.91Å; V169-Q172 PolarHBondContact O-N 2.89Å; Q172-L175 PolarHBondContact O-N 3.11Å; Q172-Q176 PolarHBondContact O-N 3.49Å; Q172-W197 HydrophobicContact CG-CH2 3.65Å; Q172-W197 HydrophobicContact CG-CZ2 3.76Å; Q172-I202 HydrophobicContact CG-CD1 3.87Å |
| 173 | H | 89.4 | Confident | 79.1 | Confident | 102 Ų | 102 | 75.5 Ų | 75.5 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | -179.1 | -174.2 | -82.7 | 0 | 0 | 0 | 112.4 | V169 Q170 Q171 Q176 H177 | V169-H173 WeakPolarHBondContact O-CB 3.07Å; V169-H173 PolarHBondContact O-N 3.27Å; Q170-H173 PolarHBondContact O-N 3.48Å; Q171-H173 VanDerWaalsContact C-N 3.33Å; Q171-H173 PolarHBondContact O-N 3.24Å; H173-Q176 PolarHBondContact O-N 2.97Å; H173-H177 AromaticContact CD2-CD2 3.73Å; H173-H177 AromaticContact CD2-NE2 3.97Å; H173-H177 AromaticContact CE1-CD2 3.45Å; H173-H177 PolarHBondContact CE1-CD2 2.97Å; H173-H177 VanDerWaalsContact CE1-CD2 3.45Å; H173-H177 AromaticContact CG-CD2 3.94Å; H173-H177 AromaticContact ND1-CD2 3.77Å; H173-H177 AromaticContact NE2-CD2 3.44Å; H173-H177 PolarHBondContact NE2-CD2 3.11Å; H173-H177 AromaticContact NE2-NE2 3.67Å; H173-H177 PolarHBondContact O-CD2 3.19Å; H173-H177 PolarHBondContact O-N 3.41Å |
| 174 | S | 86.1 | Confident | 77 | Confident | 22 Ų | 22 | 76.6 Ų | 76.6 | 15% | 0.154 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 174.9 | 69.2 | 0 | 0 | 0 | 0 | 111.1 | Q170 Q171 Q176 H177 Q178 H182 | Q170-S174 PolarHBondContact O-N 2.99Å; Q171-S174 PolarHBondContact O-N 2.83Å; Q171-S174 PolarHBondContact O-OG 2.97Å; S174-Q176 PolarHBondContact O-N 3.05Å; S174-H177 PolarHBondContact O-N 2.59Å; S174-Q178 WeakPolarHBondContact O-CB 3.48Å; S174-Q178 PolarHBondContact O-N 3.32Å; S174-H182 PolarHBondContact OG-NE2 3.44Å |
| 175 | L | 82 | Confident | 75 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.7 | -27.3 | 178.3 | -69.7 | 170.2 | 0 | 0 | 0 | 113.4 | L80 Q171 Q172 Y185 | L80-L175 HydrophobicContact CD2-CD1 3.41Å; L80-L175 VanDerWaalsContact CD2-CD1 3.41Å; L80-L175 HydrophobicContact CG-CD1 4.41Å; Q171-L175 HydrophobicContact CG-CD1 4.32Å; Q171-L175 WeakPolarHBondContact O-CG 3.34Å; Q171-L175 PolarHBondContact O-N 2.75Å; Q171-L175 VanDerWaalsContact O-N 3.15Å; Q172-L175 PolarHBondContact O-N 3.11Å; L175-Y185 HydrophobicContact CD2-CE2 4.08Å |
| 176 | Q | 84.3 | Confident | 72.7 | Confident | 33 Ų | 33 | 81.9 Ų | 81.9 | 15% | 0.154 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -77.4 | -35.5 | 177.2 | -178.9 | 172.5 | 9.4 | 0 | 0 | 113.3 | Q172 H173 S174 W197 P200 | Q172-Q176 PolarHBondContact O-N 3.49Å; H173-Q176 PolarHBondContact O-N 2.97Å; S174-Q176 PolarHBondContact O-N 3.05Å; Q176-W197 HydrophobicContact CG-CG 4.06Å; Q176-P200 PolarHBondContact NE2-O 3.48Å |
| 177 | H | 80.3 | Confident | 70.3 | Confident | 105 Ų | 105 | 89.9 Ų | 89.9 | 49% | 0.486 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -111.9 | -20.2 | -168.7 | -68 | -66 | 0 | 0 | 0 | 114.9 | H173 S174 | H173-H177 AromaticContact CD2-CD2 3.73Å; H173-H177 AromaticContact CD2-NE2 3.97Å; H173-H177 AromaticContact CE1-CD2 3.45Å; H173-H177 PolarHBondContact CE1-CD2 2.97Å; H173-H177 VanDerWaalsContact CE1-CD2 3.45Å; H173-H177 AromaticContact CG-CD2 3.94Å; H173-H177 AromaticContact ND1-CD2 3.77Å; H173-H177 AromaticContact NE2-CD2 3.44Å; H173-H177 PolarHBondContact NE2-CD2 3.11Å; H173-H177 AromaticContact NE2-NE2 3.67Å; H173-H177 PolarHBondContact O-CD2 3.19Å; H173-H177 PolarHBondContact O-N 3.41Å; S174-H177 PolarHBondContact O-N 2.59Å |
| 178 | Q | 67.4 | Low | 68.3 | Low | 122 Ų | 122 | 84.8 Ų | 84.8 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | trans | -105.1 | 78.1 | -178.5 | -64.8 | 179.8 | 0.8 | 0 | 0 | 110.4 | S174 G180 | S174-Q178 WeakPolarHBondContact O-CB 3.48Å; S174-Q178 PolarHBondContact O-N 3.32Å; Q178-G180 PolarHBondContact O-N 2.84Å; Q178-G180 VanDerWaalsContact O-N 3.11Å | ||
| 179 | T | 53.8 | Low | 66.3 | Low | 127 Ų | 127 | 87.6 Ų | 87.6 | 78% | 0.779 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 99.6 | 169.5 | 43.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 180 | G | 50.5 | Low | 64.6 | Low | 68 Ų | 68 | 95 Ų | 95 | 70% | 0.701 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 132.1 | 2.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | Q178 | Q178-G180 PolarHBondContact O-N 2.84Å; Q178-G180 VanDerWaalsContact O-N 3.11Å |
| 181 | K | 44.8 | Very low | 63.1 | Low | 179 Ų | 179 | 91.2 Ų | 91.2 | 78% | 0.778 | 46% | 0.462 | S | S | * | . | trans | -144.2 | 66.6 | -178.5 | -68.3 | -171.7 | 178.1 | -177 | 0 | 114.1 | ||||
| 182 | H | 48.7 | Very low | 62.2 | Low | 59 Ų | 59 | 89.5 Ų | 89.5 | 27% | 0.273 | 45% | 0.453 | S | S | . | . | trans | -122 | 123.8 | 166.4 | -108.8 | -79 | 0 | 0 | 0 | 109.3 | S174 V184 Y185 E186 | S174-H182 PolarHBondContact OG-NE2 3.44Å; H182-V184 PolarHBondContact O-N 2.95Å; H182-V184 VanDerWaalsContact O-N 3.08Å; H182-Y185 HydrophobicContact CB-CD2 3.92Å; H182-Y185 PolarHBondContact O-N 3.31Å; H182-E186 PolarHBondContact O-N 2.75Å | ||
| 183 | E | 43.7 | Very low | 61.4 | Low | 180 Ų | 180 | 90.1 Ų | 90.1 | 84% | 0.841 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25 | -179.7 | -69.3 | 177.9 | 158.1 | 0 | 0 | 113.3 | Y185 | E183-Y185 VanDerWaalsContact C-N 3.25Å; E183-Y185 PolarHBondContact O-N 2.92Å |
| 184 | V | 48.9 | Very low | 60.8 | Low | 109 Ų | 109 | 88.9 Ų | 88.9 | 66% | 0.661 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -23.7 | 175 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | H182 | H182-V184 PolarHBondContact O-N 2.95Å; H182-V184 VanDerWaalsContact O-N 3.08Å |
| 185 | Y | 50.8 | Low | 60.7 | Low | 23 Ų | 23 | 88.3 Ų | 88.3 | 9% | 0.09 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -14.6 | -176.2 | -72 | -76.2 | 0 | 0 | 0 | 114.4 | H84 L175 H182 E183 R187 S188 A189 M194 | H84-Y185 AromaticContact CE1-CZ 3.95Å; H84-Y185 PolarHBondContact CE1-OH 3.11Å; H84-Y185 AromaticContact NE2-CZ 3.94Å; H84-Y185 PolarHBondContact NE2-OH 3.37Å; L175-Y185 HydrophobicContact CD2-CE2 4.08Å; H182-Y185 HydrophobicContact CB-CD2 3.92Å; H182-Y185 PolarHBondContact O-N 3.31Å; E183-Y185 VanDerWaalsContact C-N 3.25Å; E183-Y185 PolarHBondContact O-N 2.92Å; Y185-R187 PolarHBondContact O-N 3.32Å; Y185-R187 VanDerWaalsContact O-N 3.13Å; Y185-S188 CarbonylContact O-C 3.37Å; Y185-S188 PolarHBondContact O-N 3.05Å; Y185-A189 WeakPolarHBondContact O-CA 3.44Å; Y185-A189 VanDerWaalsContact O-CB 3.23Å; Y185-A189 WeakPolarHBondContact O-CB 3.33Å; Y185-A189 PolarHBondContact O-N 3.16Å; Y185-M194 HydrophobicContact CD1-CE 3.41Å; Y185-M194 VanDerWaalsContact CD1-CE 3.41Å; Y185-M194 HydrophobicContact CD2-CE 4.14Å; Y185-M194 HydrophobicContact CE1-CE 3.73Å; Y185-M194 HydrophobicContact CE2-CE 4.41Å; Y185-M194 HydrophobicContact CG-CE 3.64Å |
| 186 | E | 45.3 | Very low | 61 | Low | 147 Ų | 147 | 89.9 Ų | 89.9 | 69% | 0.687 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -28.1 | -173.9 | -86.2 | -176.4 | 162.5 | 0 | 0 | 114.5 | H182 | H182-E186 PolarHBondContact O-N 2.75Š|
| 187 | R | 43.4 | Very low | 61.3 | Low | 241 Ų | 241 | 89.6 Ų | 89.6 | 91% | 0.909 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -8.1 | 173.1 | -79.1 | -174 | -177.4 | 177 | 0.7 | 114.8 | Y185 | Y185-R187 PolarHBondContact O-N 3.32Å; Y185-R187 VanDerWaalsContact O-N 3.13Å |
| 188 | S | 53.4 | Low | 61.7 | Low | 19 Ų | 19 | 84.7 Ų | 84.7 | 13% | 0.133 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | -1.7 | -167.4 | -36.1 | 0 | 0 | 0 | 0 | 113 | Y185 E190 M191 Y192 Q269 | Y185-S188 CarbonylContact O-C 3.37Å; Y185-S188 PolarHBondContact O-N 3.05Å; S188-E190 PolarHBondContact O-N 3.11Å; S188-M191 PolarHBondContact O-N 2.77Å; S188-M191 VanDerWaalsContact O-N 3.09Å; S188-Y192 WeakPolarHBondContact O-CD2 3.17Å; S188-Y192 PolarHBondContact O-N 3.39Å; S188-Q269 PolarHBondContact OG-NE2 2.76Å |
| 189 | A | 51.9 | Low | 62.6 | Low | 60 Ų | 60 | 79.3 Ų | 79.3 | 50% | 0.496 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y185 | Y185-A189 WeakPolarHBondContact O-CA 3.44Å; Y185-A189 VanDerWaalsContact O-CB 3.23Å; Y185-A189 WeakPolarHBondContact O-CB 3.33Å; Y185-A189 PolarHBondContact O-N 3.16Å |
| 190 | E | 57.3 | Low | 64 | Low | 179 Ų | 179 | 77.3 Ų | 77.3 | 84% | 0.836 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -23.1 | 177.8 | -64.2 | -176.6 | 176 | 0 | 0 | 113.1 | S87 S188 | S87-E190 WeakPolarHBondContact CB-O 3.5Å; S87-E190 PolarHBondContact OG-O 3.22Å; S188-E190 PolarHBondContact O-N 3.11Å |
| 191 | M | 61.4 | Low | 65.8 | Low | 54 Ų | 54 | 79.8 Ų | 79.8 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -32.5 | -178.3 | -84.2 | -164 | 147.3 | 0 | 0 | 113.8 | S87 A90 S188 F268 | S87-M191 PolarHBondContact N-O 3Å; S87-M191 PolarHBondContact OG-O 2.95Å; A90-M191 HydrophobicContact CB-CB 3.74Å; A90-M191 HydrophobicContact CB-CE 4.18Å; A90-M191 HydrophobicContact CB-CG 3.7Å; A90-M191 VanDerWaalsContact CB-O 3.32Å; A90-M191 WeakPolarHBondContact CB-O 3.43Å; A90-M191 HydrophobicContact CB-SD 4.21Å; S188-M191 PolarHBondContact O-N 2.77Å; S188-M191 VanDerWaalsContact O-N 3.09Å; M191-F268 HydrophobicContact CE-CB 4.34Å |
| 192 | Y | 71.2 | Confident | 68 | Low | 27 Ų | 27 | 71.7 Ų | 71.7 | 11% | 0.106 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -113.5 | 131.7 | -171.5 | -57.6 | -68.6 | 0 | 0 | 0 | 112.1 | H84 L86 S188 | H84-Y192 HydrophobicContact CB-CD1 3.76Å; H84-Y192 HydrophobicContact CB-CG 4.25Å; L86-Y192 HydrophobicContact CD2-CD1 3.73Å; L86-Y192 HydrophobicContact CD2-CE1 3.68Å; S188-Y192 WeakPolarHBondContact O-CD2 3.17Å; S188-Y192 PolarHBondContact O-N 3.39Å |
| 193 | S | 74.7 | Confident | 70.1 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 137.1 | 176.9 | -160.5 | 0 | 0 | 0 | 0 | 110.9 | F85 E137 | F85-S193 PolarHBondContact O-N 3.22Å; E137-S193 WeakPolarHBondContact CB-OG 3.35Å; E137-S193 PolarHBondContact OE2-OG 3Å |
| 194 | M | 77.9 | Confident | 72.5 | Confident | 75 Ų | 75 | 64.1 Ų | 64.1 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 140.1 | 173.3 | -72.3 | -65.5 | 110.8 | 0 | 0 | 110.8 | Y185 K196 | Y185-M194 HydrophobicContact CD1-CE 3.41Å; Y185-M194 VanDerWaalsContact CD1-CE 3.41Å; Y185-M194 HydrophobicContact CD2-CE 4.14Å; Y185-M194 HydrophobicContact CE1-CE 3.73Å; Y185-M194 HydrophobicContact CE2-CE 4.41Å; Y185-M194 HydrophobicContact CG-CE 3.64Å; M194-K196 PolarHBondContact O-N 3.48Å |
| 195 | P | 83.7 | Confident | 74.8 | Confident | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.071 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 119.3 | -179.5 | 24.8 | -31.9 | 0 | 0 | 0 | 111.4 | L80 Y147 | L80-P195 HydrophobicContact CD1-CB 3.94Å; L80-P195 HydrophobicContact CD1-CG 4.47Å; Y147-P195 HydrophobicContact CD2-CB 3.91Å; Y147-P195 HydrophobicContact CE2-CB 3.57Å |
| 196 | K | 87.5 | Confident | 76.9 | Confident | 56 Ų | 56 | 59 Ų | 59 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 132.1 | 175.6 | -66.1 | -173.1 | -178.3 | 169.8 | 0 | 111 | P138 G139 N140 C146 Y147 M194 | P138-K196 HydrophobicContact CG-CD 4.03Å; P138-K196 PolarHBondContact O-NZ 3.45Å; G139-K196 PolarHBondContact O-NZ 3.42Å; N140-K196 PolarHBondContact OD1-NZ 2.75Å; C146-K196 CarbonylContact C-O 3.5Å; C146-K196 VanDerWaalsContact CA-O 3.3Å; C146-K196 WeakPolarHBondContact CA-O 3.4Å; C146-K196 HydrophobicContact CB-CB 4.45Å; C146-K196 WeakPolarHBondContact CB-O 3.33Å; C146-K196 VanDerWaalsContact SG-CB 3.59Å; Y147-K196 WeakPolarHBondContact CD2-O 3.49Å; Y147-K196 PolarHBondContact N-O 2.9Å; M194-K196 PolarHBondContact O-N 3.48Å |
| 197 | W | 90 | Very high | 79.3 | Confident | 27 Ų | 27 | 52 Ų | 52 | 10% | 0.102 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -102.6 | 142.3 | -179 | -60.5 | 89.7 | 0 | 0 | 0 | 111.1 | A24 L80 Y147 C150 Q172 Q176 I202 | A24-W197 HydrophobicContact CB-CH2 3.83Å; A24-W197 HydrophobicContact CB-CZ3 4.21Å; L80-W197 HydrophobicContact CD1-CH2 4.5Å; L80-W197 HydrophobicContact CD1-CZ2 4.36Å; L80-W197 HydrophobicContact CD2-CZ2 4.37Å; Y147-W197 HydrophobicContact CG-CZ3 4.47Å; C150-W197 HydrophobicContact CB-CH2 3.91Å; C150-W197 HydrophobicContact CB-CZ3 4.06Å; Q172-W197 HydrophobicContact CG-CH2 3.65Å; Q172-W197 HydrophobicContact CG-CZ2 3.76Å; Q176-W197 HydrophobicContact CG-CG 4.06Å; W197-I202 HydrophobicContact CB-CG2 4.15Å; W197-I202 HydrophobicContact CD2-CG2 3.88Å; W197-I202 HydrophobicContact CE3-CB 4.11Å; W197-I202 HydrophobicContact CE3-CD1 4.06Å; W197-I202 HydrophobicContact CE3-CG2 3.4Å; W197-I202 VanDerWaalsContact CE3-CG2 3.4Å; W197-I202 HydrophobicContact CG-CG2 4.23Å; W197-I202 HydrophobicContact CH2-CD1 3.98Å; W197-I202 HydrophobicContact CZ3-CB 4.36Å; W197-I202 HydrophobicContact CZ3-CD1 3.56Å; W197-I202 HydrophobicContact CZ3-CG2 4.09Å |
| 198 | F | 90.1 | Very high | 81.8 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -67.4 | -46.3 | -177.2 | -164.3 | -81.2 | 0 | 0 | 0 | 111.7 | F143 C146 Y147 F374 R448 D451 L452 L455 | F143-F198 HydrophobicContact CB-CD2 3.76Å; F143-F198 HydrophobicContact CB-CE2 3.44Å; F143-F198 VanDerWaalsContact CB-CE2 3.44Å; F143-F198 HydrophobicContact CB-CZ 4.12Å; F143-F198 WeakPolarHBondContact O-CD2 3.35Å; C146-F198 HydrophobicContact CB-CB 4.2Å; C146-F198 HydrophobicContact CB-CD2 4.33Å; Y147-F198 WeakPolarHBondContact O-CB 3.46Å; Y147-F198 PolarHBondContact O-N 3.19Å; F198-F374 HydrophobicContact CD1-CE2 4.49Å; F198-F374 AromaticContact CE1-CE2 3.84Å; F198-F374 HydrophobicContact CE1-CE2 3.84Å; F198-F374 HydrophobicContact CE1-CZ 4.35Å; F198-R448 HydrophobicContact CE1-CB 4.01Å; F198-R448 HydrophobicContact CE1-CG 4.16Å; F198-R448 HydrophobicContact CZ-CB 4.05Å; F198-R448 HydrophobicContact CZ-CG 4.28Å; F198-R448 WeakPolarHBondContact CZ-O 3.23Å; F198-R448 PolarHBondContact O-NE 3.3Å; F198-R448 VanDerWaalsContact O-NE 3.17Å; F198-D451 HydrophobicContact CE2-CB 4.29Å; F198-L452 HydrophobicContact CE1-CB 4.19Å; F198-L452 HydrophobicContact CE1-CD1 4.38Å; F198-L452 HydrophobicContact CE1-CD2 4.4Å; F198-L452 HydrophobicContact CZ-CB 3.71Å; F198-L452 HydrophobicContact CZ-CD1 4.25Å; F198-L452 HydrophobicContact CZ-CG 4.44Å; F198-L455 HydrophobicContact CE2-CD1 4.46Å |
| 199 | C | 86.2 | Confident | 83.7 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -125.7 | 153.7 | 176.5 | -67.5 | 0 | 0 | 0 | 0 | 110.5 | N201 I202 F374 | C199-N201 VanDerWaalsContact C-N 3.27Å; C199-N201 PolarHBondContact O-N 2.99Å; C199-I202 WeakPolarHBondContact O-CG2 3.5Å; C199-F374 VanDerWaalsContact SG-CZ 3.52Å |
| 200 | P | 83.3 | Confident | 85.7 | Confident | 85 Ų | 85 | 37.7 Ų | 37.7 | 55% | 0.552 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -57.3 | -41.9 | 167 | -22.1 | 32.4 | 0 | 0 | 0 | 112 | Q176 I202 | Q176-P200 PolarHBondContact NE2-O 3.48Å; P200-I202 PolarHBondContact O-N 3.07Å |
| 201 | N | 87 | Confident | 87.2 | Confident | 121 Ų | 121 | 29.3 Ų | 29.3 | 65% | 0.647 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -92.5 | 96.2 | 174.8 | -170.1 | 15.5 | 0 | 0 | 0 | 110.3 | C199 Y366 | C199-N201 VanDerWaalsContact C-N 3.27Å; C199-N201 PolarHBondContact O-N 2.99Å; N201-Y366 PolarHBondContact O-OH 2.89Å; N201-Y366 VanDerWaalsContact O-OH 3.06Å |
| 202 | I | 90.8 | Very high | 88.3 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | trans | -80.2 | 155.5 | -174 | 67.3 | 155 | 0 | 0 | 0 | 112.3 | C150 Q172 W197 C199 P200 K204 | C150-I202 HydrophobicContact CB-CD1 3.76Å; Q172-I202 HydrophobicContact CG-CD1 3.87Å; W197-I202 HydrophobicContact CB-CG2 4.15Å; W197-I202 HydrophobicContact CD2-CG2 3.88Å; W197-I202 HydrophobicContact CE3-CB 4.11Å; W197-I202 HydrophobicContact CE3-CD1 4.06Å; W197-I202 HydrophobicContact CE3-CG2 3.4Å; W197-I202 VanDerWaalsContact CE3-CG2 3.4Å; W197-I202 HydrophobicContact CG-CG2 4.23Å; W197-I202 HydrophobicContact CH2-CD1 3.98Å; W197-I202 HydrophobicContact CZ3-CB 4.36Å; W197-I202 HydrophobicContact CZ3-CD1 3.56Å; W197-I202 HydrophobicContact CZ3-CG2 4.09Å; C199-I202 WeakPolarHBondContact O-CG2 3.5Å; P200-I202 PolarHBondContact O-N 3.07Å; I202-K204 HydrophobicContact CD1-CG 4.16Å; I202-K204 HydrophobicContact CG1-CG 4Å; I202-K204 PolarHBondContact O-N 2.95Å | ||
| 203 | F | 93.9 | Very high | 88.9 | Confident | 16 Ų | 16 | 34.8 Ų | 34.8 | 7% | 0.07 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 128.2 | 167.4 | 172.6 | -118.1 | 0 | 0 | 0 | 110.5 | V148 G149 C150 Y205 F358 G362 L363 Y366 | V148-F203 PolarHBondContact O-N 2.9Å; G149-F203 CarbonylContact C-O 3.58Å; G149-F203 WeakPolarHBondContact CA-O 3.41Å; C150-F203 PolarHBondContact N-O 3.08Å; F203-Y205 HydrophobicContact CE1-CD2 4.4Å; F203-Y205 HydrophobicContact CE2-CD2 4.29Å; F203-Y205 AromaticContact CZ-CD2 3.61Å; F203-Y205 HydrophobicContact CZ-CD2 3.61Å; F203-Y205 HydrophobicContact CZ-CE2 4.47Å; F203-Y205 HydrophobicContact CZ-CG 4.26Å; F203-F358 HydrophobicContact CD1-CE2 4.5Å; F203-F358 HydrophobicContact CD1-CZ 4.36Å; F203-F358 HydrophobicContact CE1-CD2 4.33Å; F203-F358 HydrophobicContact CE1-CE1 4.5Å; F203-F358 AromaticContact CE1-CE2 3.53Å; F203-F358 HydrophobicContact CE1-CE2 3.53Å; F203-F358 AromaticContact CE1-CZ 3.62Å; F203-F358 HydrophobicContact CE1-CZ 3.62Å; F203-F358 HydrophobicContact CZ-CE2 4.22Å; F203-G362 WeakPolarHBondContact CE2-O 3.42Å; F203-L363 HydrophobicContact CD1-CD1 3.75Å; F203-L363 HydrophobicContact CE1-CB 3.98Å; F203-L363 HydrophobicContact CE1-CD1 4.04Å; F203-L363 HydrophobicContact CG-CD1 4.37Å; F203-L363 HydrophobicContact CZ-CB 4.28Å; F203-Y366 HydrophobicContact CB-CD1 3.72Å; F203-Y366 HydrophobicContact CB-CD2 4Å; F203-Y366 HydrophobicContact CB-CE1 3.84Å; F203-Y366 HydrophobicContact CB-CE2 4.1Å; F203-Y366 HydrophobicContact CB-CG 3.8Å; F203-Y366 HydrophobicContact CD2-CD2 4.41Å; F203-Y366 HydrophobicContact CD2-CG 4.05Å; F203-Y366 HydrophobicContact CG-CD1 4.3Å; F203-Y366 HydrophobicContact CG-CG 4.19Å |
| 204 | K | 94.7 | Very high | 89.1 | Confident | 64 Ų | 64 | 36.6 Ų | 36.6 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.5 | 179.8 | -61.9 | -173.9 | 178.5 | 179.8 | 0 | 109.9 | F152 I202 Y206 | F152-K204 HydrophobicContact CE2-CB 3.97Å; F152-K204 HydrophobicContact CE2-CD 4.19Å; F152-K204 HydrophobicContact CE2-CG 3.94Å; I202-K204 HydrophobicContact CD1-CG 4.16Å; I202-K204 HydrophobicContact CG1-CG 4Å; I202-K204 PolarHBondContact O-N 2.95Å; K204-Y206 HydrophobicContact CB-CE2 4.3Å |
| 205 | Y | 96.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.3 | 177.2 | -155.3 | -92.2 | 0 | 0 | 0 | 110.4 | C150 L151 F152 F203 N232 H235 F354 F358 | C150-Y205 PolarHBondContact O-N 3.44Å; C150-Y205 VanDerWaalsContact O-N 3.07Å; L151-Y205 WeakPolarHBondContact CA-O 3.47Å; L151-Y205 HydrophobicContact CD1-CD1 3.77Å; L151-Y205 HydrophobicContact CD1-CG 4.37Å; F152-Y205 PolarHBondContact N-O 3.27Å; F203-Y205 HydrophobicContact CE1-CD2 4.4Å; F203-Y205 HydrophobicContact CE2-CD2 4.29Å; F203-Y205 AromaticContact CZ-CD2 3.61Å; F203-Y205 HydrophobicContact CZ-CD2 3.61Å; F203-Y205 HydrophobicContact CZ-CE2 4.47Å; F203-Y205 HydrophobicContact CZ-CG 4.26Å; Y205-N232 WeakPolarHBondContact CE2-O 3.47Å; Y205-H235 HydrophobicContact CE1-CB 3.88Å; Y205-F354 HydrophobicContact CE1-CE2 4.15Å; Y205-F358 AromaticContact CD1-CD2 3.63Å; Y205-F358 HydrophobicContact CD1-CD2 3.63Å; Y205-F358 HydrophobicContact CD1-CE2 4.24Å; Y205-F358 AromaticContact CD2-CD2 3.98Å; Y205-F358 HydrophobicContact CD2-CD2 3.98Å; Y205-F358 HydrophobicContact CD2-CE2 4.39Å; Y205-F358 HydrophobicContact CE1-CB 4.46Å; Y205-F358 HydrophobicContact CE1-CD2 4.03Å; Y205-F358 HydrophobicContact CE2-CD2 4.34Å; Y205-F358 AromaticContact CG-CD2 3.58Å; Y205-F358 HydrophobicContact CG-CD2 3.58Å; Y205-F358 AromaticContact CG-CE2 3.88Å; Y205-F358 HydrophobicContact CG-CE2 3.88Å |
| 206 | Y | 96.2 | Very high | 88 | Confident | 22 Ų | 22 | 46 Ų | 46 | 9% | 0.086 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.7 | -170.7 | -53 | -83.1 | 0 | 0 | 0 | 110.2 | F152 I165 V169 K204 Y229 A233 C234 H235 | F152-Y206 HydrophobicContact CB-CD1 4.09Å; F152-Y206 AromaticContact CD2-CD1 3.99Å; F152-Y206 HydrophobicContact CD2-CD1 3.99Å; F152-Y206 AromaticContact CD2-CE1 3.8Å; F152-Y206 HydrophobicContact CD2-CE1 3.8Å; F152-Y206 HydrophobicContact CE2-CE1 4.4Å; F152-Y206 HydrophobicContact CG-CD1 4.37Å; F152-Y206 HydrophobicContact CG-CE1 4.4Å; I165-Y206 HydrophobicContact CG2-CD1 3.47Å; I165-Y206 VanDerWaalsContact CG2-CD1 3.47Å; I165-Y206 HydrophobicContact CG2-CE1 3.64Å; V169-Y206 HydrophobicContact CG2-CE1 3.98Å; K204-Y206 HydrophobicContact CB-CE2 4.3Å; Y206-Y229 HydrophobicContact CD1-CD1 4.45Å; Y206-Y229 HydrophobicContact CD1-CG 4.43Å; Y206-Y229 HydrophobicContact CD2-CD1 4.26Å; Y206-Y229 AromaticContact CD2-CG 3.88Å; Y206-Y229 HydrophobicContact CD2-CG 3.88Å; Y206-Y229 AromaticContact CE1-CD1 3.9Å; Y206-Y229 HydrophobicContact CE1-CD1 3.9Å; Y206-Y229 HydrophobicContact CE1-CE1 4.08Å; Y206-Y229 HydrophobicContact CE1-CG 4.32Å; Y206-Y229 AromaticContact CE2-CD1 3.72Å; Y206-Y229 HydrophobicContact CE2-CD1 3.72Å; Y206-Y229 AromaticContact CE2-CG 3.78Å; Y206-Y229 HydrophobicContact CE2-CG 3.78Å; Y206-Y229 HydrophobicContact CG-CD2 4.49Å; Y206-Y229 HydrophobicContact CG-CG 4.22Å; Y206-Y229 AromaticContact CZ-CD1 3.49Å; Y206-Y229 VanDerWaalsContact CZ-CD1 3.49Å; Y206-Y229 AromaticContact CZ-CG 3.98Å; Y206-A233 HydrophobicContact CD2-CB 4.39Å; Y206-A233 WeakPolarHBondContact CD2-O 3.43Å; Y206-A233 PolarHBondContact N-O 2.94Å; Y206-C234 CarbonylContact O-C 3.56Å; Y206-C234 VanDerWaalsContact O-CA 3.25Å; Y206-C234 WeakPolarHBondContact O-CA 3.14Å; Y206-H235 PolarHBondContact O-N 3.46Å |
| 207 | L | 95.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.3 | -178.6 | -179 | 70.1 | 0 | 0 | 0 | 110.6 | F42 L151 F152 V153 V154 I209 H235 L237 F354 | F42-L207 HydrophobicContact CE1-CD2 4.14Å; F42-L207 HydrophobicContact CE2-CD2 3.53Å; F42-L207 HydrophobicContact CZ-CD2 3.2Å; L151-L207 HydrophobicContact CD1-CB 3.99Å; F152-L207 PolarHBondContact O-N 2.88Å; V153-L207 WeakPolarHBondContact CA-O 3.38Å; V153-L207 HydrophobicContact CG1-CB 4.48Å; V153-L207 HydrophobicContact CG1-CD2 3.97Å; V153-L207 HydrophobicContact CG1-CG 4.36Å; V153-L207 HydrophobicContact CG2-CB 4.26Å; V153-L207 HydrophobicContact CG2-CD2 4.12Å; V154-L207 PolarHBondContact N-O 3.27Å; L207-I209 HydrophobicContact CD2-CG1 4.37Å; L207-H235 HydrophobicContact CD1-CB 3.81Å; L207-L237 HydrophobicContact CD1-CB 3.8Å; L207-L237 HydrophobicContact CD2-CD2 4.25Å; L207-L237 HydrophobicContact CG-CB 4.49Å; L207-F354 HydrophobicContact CD1-CD2 3.86Å; L207-F354 HydrophobicContact CD1-CE2 3.74Å; L207-F354 HydrophobicContact CD1-CZ 4.39Å; L207-F354 HydrophobicContact CD2-CE1 4.35Å; L207-F354 HydrophobicContact CD2-CE2 4.15Å; L207-F354 HydrophobicContact CD2-CZ 3.97Å; L207-F354 HydrophobicContact CG-CE2 4.43Å |
| 208 | L | 94.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.9 | 168.6 | -72.9 | 171.6 | 0 | 0 | 0 | 109.9 | V154 T156 P161 L221 F222 V225 H235 L236 L237 | V154-L208 HydrophobicContact CB-CD2 4.37Å; V154-L208 CarbonylContact O-C 3.56Å; V154-L208 VanDerWaalsContact O-CA 3.31Å; V154-L208 WeakPolarHBondContact O-CA 3.41Å; T156-L208 HydrophobicContact CG2-CB 4Å; T156-L208 HydrophobicContact CG2-CD2 4.4Å; P161-L208 HydrophobicContact CB-CD2 4.26Å; L208-L221 HydrophobicContact CD1-CD2 3.75Å; L208-L221 HydrophobicContact CD2-CD2 3.9Å; L208-L221 HydrophobicContact CG-CD2 4.48Å; L208-F222 HydrophobicContact CD1-CB 4.29Å; L208-F222 HydrophobicContact CD1-CD2 4.18Å; L208-V225 HydrophobicContact CD1-CB 4.21Å; L208-V225 HydrophobicContact CD1-CG2 3.91Å; L208-H235 PolarHBondContact N-O 2.91Å; L208-L236 HydrophobicContact CB-CD1 3.83Å; L208-L237 PolarHBondContact O-N 2.93Å |
| 209 | I | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.1 | 171.3 | -66.6 | -177.1 | 0 | 0 | 0 | 109.4 | A31 I34 F42 V153 V154 T156 L207 L237 I239 | A31-I209 HydrophobicContact CB-CD1 4.27Å; I34-I209 HydrophobicContact CB-CG2 4.41Å; I34-I209 HydrophobicContact CD1-CG2 4.1Å; I34-I209 HydrophobicContact CG2-CG2 4Å; F42-I209 HydrophobicContact CD2-CD1 3.39Å; F42-I209 HydrophobicContact CE2-CD1 3.74Å; F42-I209 HydrophobicContact CG-CD1 4.22Å; V153-I209 HydrophobicContact CG1-CD1 3.47Å; V153-I209 VanDerWaalsContact CG1-CD1 3.47Å; V153-I209 HydrophobicContact CG1-CG1 3.77Å; V154-I209 PolarHBondContact O-N 3.31Å; T156-I209 PolarHBondContact N-O 3.29Å; T156-I209 PolarHBondContact OG1-O 2.89Å; L207-I209 HydrophobicContact CD2-CG1 4.37Å; I209-L237 CarbonylContact C-O 3.58Å; I209-L237 WeakPolarHBondContact CA-O 3.29Å; I209-L237 HydrophobicContact CG1-CD2 4.49Å; I209-I239 HydrophobicContact CD1-CD1 4.36Å; I209-I239 HydrophobicContact CG2-CD1 4.29Å |
| 210 | H | 92.6 | Very high | 87.7 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.5 | 176.8 | -177.1 | 59.7 | 0 | 0 | 0 | 111 | T156 P212 C216 A218 L236 L237 R238 I239 | T156-H210 HydrophobicContact CG2-CB 4.02Å; T156-H210 VanDerWaalsContact OG1-CA 3.32Å; T156-H210 WeakPolarHBondContact OG1-CA 3.47Å; T156-H210 WeakPolarHBondContact OG1-CB 3.35Å; T156-H210 PolarHBondContact OG1-ND1 3.43Å; H210-P212 WeakPolarHBondContact O-CD 3.1Å; H210-C216 PolarHBondContact CE1-SG 2.75Å; H210-C216 PolarHBondContact ND1-SG 3.34Å; H210-C216 VanDerWaalsContact ND1-SG 3.41Å; H210-A218 HydrophobicContact CB-CB 4.18Å; H210-L236 HydrophobicContact CB-CD1 4.08Å; H210-L237 PolarHBondContact N-O 3.12Å; H210-R238 HydrophobicContact CB-CG 4.35Å; H210-R238 VanDerWaalsContact O-CA 3.3Å; H210-R238 WeakPolarHBondContact O-CA 3.36Å; H210-I239 PolarHBondContact O-N 3.43Å |
| 211 | D | 88.5 | Confident | 88 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | trans | -82.9 | 113.7 | 167 | 179.1 | -9.1 | 0 | 0 | 0 | 107.9 | I34 K37 Y213 T214 S241 | I34-D211 HydrophobicContact CD1-CB 4.15Å; I34-D211 HydrophobicContact CG1-CB 4.44Å; I34-D211 HydrophobicContact CG2-CB 4.19Å; K37-D211 IonicContact NZ-OD2 2.84Å; K37-D211 PolarHBondContact NZ-OD2 2.83Å; K37-D211 VanDerWaalsContact NZ-OD2 3.1Å; D211-Y213 PolarHBondContact O-N 3.29Å; D211-Y213 WeakPolarHBondContact OD1-CD2 3.37Å; D211-Y213 PolarHBondContact OD1-N 3.46Å; D211-T214 WeakPolarHBondContact CB-OG1 3.41Å; D211-T214 WeakPolarHBondContact O-CB 3.41Å; D211-T214 PolarHBondContact O-N 2.87Å; D211-T214 PolarHBondContact O-OG1 3.44Å; D211-T214 VanDerWaalsContact O-OG1 3.11Å; D211-S241 PolarHBondContact OD1-OG 3.02Å; D211-S241 WeakPolarHBondContact OD2-CB 3.35Å; D211-S241 PolarHBondContact OD2-OG 2.66Å | ||
| 212 | P | 85.7 | Confident | 88.3 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 40% | 0.403 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -19.2 | -173.4 | -23.5 | 31.8 | 0 | 0 | 0 | 114.9 | H210 T214 I239 | H210-P212 WeakPolarHBondContact O-CD 3.1Å; P212-T214 VanDerWaalsContact C-N 3.35Å; P212-I239 WeakPolarHBondContact CD-O 3.39Å |
| 213 | Y | 82.7 | Confident | 88.3 | Confident | 134 Ų | 134 | 57.6 Ų | 57.6 | 53% | 0.525 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 0.7 | -178.9 | -54.9 | -81.9 | 0 | 0 | 0 | 113 | D211 N240 L242 | D211-Y213 PolarHBondContact O-N 3.29Å; D211-Y213 WeakPolarHBondContact OD1-CD2 3.37Å; D211-Y213 PolarHBondContact OD1-N 3.46Å; Y213-N240 WeakPolarHBondContact CE2-OD1 3.49Å; Y213-L242 HydrophobicContact CD1-CD1 3.57Å; Y213-L242 HydrophobicContact CD2-CD1 3.77Å; Y213-L242 HydrophobicContact CD2-CG 4.11Å; Y213-L242 HydrophobicContact CE1-CD1 3.69Å; Y213-L242 HydrophobicContact CE2-CB 4.18Å; Y213-L242 HydrophobicContact CE2-CD1 3.94Å; Y213-L242 HydrophobicContact CE2-CG 4.25Å; Y213-L242 HydrophobicContact CG-CD1 3.58Å; Y213-L242 HydrophobicContact CG-CG 4.35Å |
| 214 | T | 79.7 | Confident | 88.2 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 31% | 0.307 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -92.6 | 128.6 | 178.5 | -41 | 0 | 0 | 0 | 0 | 109.9 | D211 P212 C216 | D211-T214 WeakPolarHBondContact CB-OG1 3.41Å; D211-T214 WeakPolarHBondContact O-CB 3.41Å; D211-T214 PolarHBondContact O-N 2.87Å; D211-T214 PolarHBondContact O-OG1 3.44Å; D211-T214 VanDerWaalsContact O-OG1 3.11Å; P212-T214 VanDerWaalsContact C-N 3.35Å; T214-C216 VanDerWaalsContact C-N 3.28Å; T214-C216 PolarHBondContact O-N 3.09Å |
| 215 | Y | 66.3 | Low | 88 | Confident | 242 Ų | 242 | 58.6 Ų | 58.6 | 95% | 0.949 | 27% | 0.266 | S | S | * | . | trans | -72.4 | 79.4 | 175.1 | -82.8 | -89.8 | 0 | 0 | 0 | 110.9 | ||||
| 216 | C | 71.3 | Confident | 87.8 | Confident | 42 Ų | 42 | 60 Ų | 60 | 28% | 0.284 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -137.4 | 151.3 | 170.7 | 85.8 | 0 | 0 | 0 | 0 | 111.8 | T156 H210 T214 A218 | T156-C216 VanDerWaalsContact CB-SG 3.52Å; T156-C216 PolarHBondContact O-SG 3.47Å; T156-C216 VanDerWaalsContact O-SG 3.32Å; T156-C216 PolarHBondContact OG1-SG 2.74Å; H210-C216 PolarHBondContact CE1-SG 2.75Å; H210-C216 PolarHBondContact ND1-SG 3.34Å; H210-C216 VanDerWaalsContact ND1-SG 3.41Å; T214-C216 VanDerWaalsContact C-N 3.28Å; T214-C216 PolarHBondContact O-N 3.09Å; C216-A218 PolarHBondContact O-N 2.72Å |
| 217 | R | 81.7 | Confident | 87.6 | Confident | 186 Ų | 186 | 64.7 Ų | 64.7 | 70% | 0.702 | 30% | 0.304 | S | S | * | . | trans | -82.3 | 64.7 | 179.4 | -63.5 | -170 | -176.2 | 167.5 | -1.2 | 111.4 | E219 Q220 L221 | R217-E219 VanDerWaalsContact C-N 3.3Å; R217-E219 PolarHBondContact O-N 3.31Å; R217-Q220 HydrophobicContact CB-CB 4.23Å; R217-Q220 HydrophobicContact CB-CG 4.47Å; R217-Q220 VanDerWaalsContact NH1-OE1 3.1Å; R217-Q220 PolarHBondContact O-N 2.92Å; R217-L221 PolarHBondContact O-N 2.98Å; R217-L221 VanDerWaalsContact O-N 3.14Å | ||
| 218 | A | 87.5 | Confident | 87.4 | Confident | 5 Ų | 5 | 68 Ų | 68 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.3 | -39.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | T156 H210 C216 F222 L236 | T156-A218 HydrophobicContact CG2-CB 4.12Å; H210-A218 HydrophobicContact CB-CB 4.18Å; C216-A218 PolarHBondContact O-N 2.72Å; A218-F222 VanDerWaalsContact O-CB 3.3Å; A218-F222 WeakPolarHBondContact O-CB 3.41Å; A218-F222 PolarHBondContact O-N 3.17Å; A218-L236 HydrophobicContact CB-CD1 4.43Å; A218-L236 HydrophobicContact CB-CD2 4.46Å |
| 219 | E | 89.7 | Confident | 87.2 | Confident | 99 Ų | 99 | 70.4 Ų | 70.4 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 178.6 | -72.4 | -71.2 | 173.3 | 0 | 0 | 112.7 | R217 F222 E223 R238 | R217-E219 VanDerWaalsContact C-N 3.3Å; R217-E219 PolarHBondContact O-N 3.31Å; E219-F222 PolarHBondContact O-N 3.33Å; E219-E223 PolarHBondContact O-N 3.31Å; E219-R238 IonicContact OE1-CZ 3.28Å; E219-R238 IonicContact OE1-NH1 2.72Å; E219-R238 IonicContact OE1-NH2 2.65Å; E219-R238 PolarHBondContact OE1-NH2 3.46Å |
| 220 | Q | 89.5 | Confident | 86.9 | Confident | 104 Ų | 104 | 71.9 Ų | 71.9 | 49% | 0.486 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 177.5 | -71.7 | -177.7 | -7.4 | 0 | 0 | 110.7 | R217 F222 E223 E224 | R217-Q220 HydrophobicContact CB-CB 4.23Å; R217-Q220 HydrophobicContact CB-CG 4.47Å; R217-Q220 VanDerWaalsContact NH1-OE1 3.1Å; R217-Q220 PolarHBondContact O-N 2.92Å; Q220-F222 VanDerWaalsContact C-N 3.27Å; Q220-F222 PolarHBondContact O-N 3.46Å; Q220-E223 PolarHBondContact O-N 3.39Å; Q220-E224 WeakPolarHBondContact O-CG 3.27Å; Q220-E224 PolarHBondContact O-N 3.44Å |
| 221 | L | 89.7 | Confident | 86.6 | Confident | 35 Ų | 35 | 75.8 Ų | 75.8 | 18% | 0.183 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62 | -37.3 | 177 | -163.5 | 104.2 | 0 | 0 | 0 | 111.6 | T156 P161 L208 R217 E224 V225 | T156-L221 HydrophobicContact CG2-CD2 4.15Å; P161-L221 HydrophobicContact CB-CD1 4.4Å; P161-L221 HydrophobicContact CB-CD2 3.74Å; P161-L221 HydrophobicContact CG-CD1 3.78Å; P161-L221 HydrophobicContact CG-CD2 3.61Å; P161-L221 HydrophobicContact CG-CG 4.28Å; L208-L221 HydrophobicContact CD1-CD2 3.75Å; L208-L221 HydrophobicContact CD2-CD2 3.9Å; L208-L221 HydrophobicContact CG-CD2 4.48Å; R217-L221 PolarHBondContact O-N 2.98Å; R217-L221 VanDerWaalsContact O-N 3.14Å; L221-E224 WeakPolarHBondContact O-CB 3.44Å; L221-E224 PolarHBondContact O-N 3.33Å; L221-V225 WeakPolarHBondContact O-CG2 3.37Å; L221-V225 PolarHBondContact O-N 2.78Å |
| 222 | F | 92.2 | Very high | 86.5 | Confident | 26 Ų | 26 | 80.6 Ų | 80.6 | 11% | 0.114 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 176.1 | -177.3 | -128.1 | 0 | 0 | 0 | 112.5 | L208 A218 E219 Q220 E224 V225 K226 C234 L236 | L208-F222 HydrophobicContact CD1-CB 4.29Å; L208-F222 HydrophobicContact CD1-CD2 4.18Å; A218-F222 VanDerWaalsContact O-CB 3.3Å; A218-F222 WeakPolarHBondContact O-CB 3.41Å; A218-F222 PolarHBondContact O-N 3.17Å; E219-F222 PolarHBondContact O-N 3.33Å; Q220-F222 VanDerWaalsContact C-N 3.27Å; Q220-F222 PolarHBondContact O-N 3.46Å; F222-E224 VanDerWaalsContact C-N 3.32Å; F222-E224 PolarHBondContact O-N 2.87Å; F222-V225 PolarHBondContact O-N 3.09Å; F222-K226 HydrophobicContact CD1-CD 4.18Å; F222-K226 HydrophobicContact CD2-CG 4.37Å; F222-K226 HydrophobicContact CE1-CD 3.69Å; F222-K226 HydrophobicContact CE1-CG 4.38Å; F222-K226 HydrophobicContact CE2-CD 4.21Å; F222-K226 HydrophobicContact CE2-CG 4.02Å; F222-K226 HydrophobicContact CZ-CD 3.71Å; F222-K226 HydrophobicContact CZ-CG 4.03Å; F222-K226 WeakPolarHBondContact O-CB 3.39Å; F222-K226 WeakPolarHBondContact O-CG 3.26Å; F222-K226 PolarHBondContact O-N 2.86Å; F222-C234 HydrophobicContact CE2-CB 3.83Å; F222-L236 HydrophobicContact CB-CB 4.38Å; F222-L236 HydrophobicContact CB-CD2 4.14Å; F222-L236 HydrophobicContact CD1-CB 3.91Å; F222-L236 HydrophobicContact CD1-CD2 4.28Å; F222-L236 HydrophobicContact CD2-CB 3.8Å; F222-L236 HydrophobicContact CE1-CB 4.07Å; F222-L236 HydrophobicContact CE2-CB 3.97Å; F222-L236 HydrophobicContact CG-CB 3.77Å; F222-L236 HydrophobicContact CG-CD2 4.26Å; F222-L236 HydrophobicContact CZ-CB 4.11Å |
| 223 | E | 92.4 | Very high | 86.7 | Confident | 97 Ų | 97 | 78.5 Ų | 78.5 | 45% | 0.453 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 171.9 | -69.7 | -55.3 | 154.8 | 0 | 0 | 112.4 | E219 Q220 V225 K226 T227 | E219-E223 PolarHBondContact O-N 3.31Å; Q220-E223 PolarHBondContact O-N 3.39Å; E223-V225 PolarHBondContact O-N 3.18Å; E223-K226 VanDerWaalsContact CD-CE 3.42Å; E223-K226 PolarHBondContact O-N 2.98Å; E223-K226 WeakPolarHBondContact OE1-CE 3.3Å; E223-K226 IonicContact OE1-NZ 3.6Å; E223-K226 PolarHBondContact OE1-NZ 3.43Å; E223-K226 WeakPolarHBondContact OE2-CE 3.37Å; E223-K226 IonicContact OE2-NZ 3.66Å; E223-K226 PolarHBondContact OE2-NZ 3.38Å; E223-T227 WeakPolarHBondContact O-CB 3.29Å; E223-T227 PolarHBondContact O-N 3.11Å; E223-T227 PolarHBondContact O-OG1 2.96Å |
| 224 | E | 90.6 | Very high | 87.2 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 46% | 0.463 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 175.7 | -74 | 179.9 | -153.8 | 0 | 0 | 112.5 | K162 Q220 L221 F222 T227 S228 | K162-E224 VanDerWaalsContact CE-C 3.47Å; K162-E224 WeakPolarHBondContact CE-O 3.43Å; K162-E224 PolarHBondContact NZ-O 3.49Å; Q220-E224 WeakPolarHBondContact O-CG 3.27Å; Q220-E224 PolarHBondContact O-N 3.44Å; L221-E224 WeakPolarHBondContact O-CB 3.44Å; L221-E224 PolarHBondContact O-N 3.33Å; F222-E224 VanDerWaalsContact C-N 3.32Å; F222-E224 PolarHBondContact O-N 2.87Å; E224-T227 PolarHBondContact O-N 3.38Å; E224-S228 PolarHBondContact O-N 3.37Å; E224-S228 PolarHBondContact O-OG 3.38Å |
| 225 | V | 91.2 | Very high | 88 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.7 | -42.5 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | K162 I165 L208 L221 F222 E223 T227 S228 Y229 C234 | K162-V225 HydrophobicContact CG-CG2 4.13Å; I165-V225 HydrophobicContact CD1-CG1 4.28Å; I165-V225 HydrophobicContact CD1-CG2 4.26Å; L208-V225 HydrophobicContact CD1-CB 4.21Å; L208-V225 HydrophobicContact CD1-CG2 3.91Å; L221-V225 WeakPolarHBondContact O-CG2 3.37Å; L221-V225 PolarHBondContact O-N 2.78Å; F222-V225 PolarHBondContact O-N 3.09Å; E223-V225 PolarHBondContact O-N 3.18Å; V225-T227 VanDerWaalsContact C-N 3.29Å; V225-T227 PolarHBondContact O-N 2.84Å; V225-S228 PolarHBondContact O-N 3.27Å; V225-S228 VanDerWaalsContact O-N 3.16Å; V225-Y229 HydrophobicContact CB-CD2 4.5Å; V225-Y229 HydrophobicContact CG1-CD2 3.78Å; V225-Y229 HydrophobicContact CG1-CE2 4.32Å; V225-Y229 WeakPolarHBondContact O-CD2 3.29Å; V225-Y229 PolarHBondContact O-N 3.22Å; V225-C234 HydrophobicContact CG1-CB 4.41Å |
| 226 | K | 92.4 | Very high | 89.3 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 14% | 0.139 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.2 | -40.7 | 173.8 | -80.9 | -174.9 | -71.2 | 178.9 | 0 | 112.5 | F222 E223 S228 G230 V231 C234 | F222-K226 HydrophobicContact CD1-CD 4.18Å; F222-K226 HydrophobicContact CD2-CG 4.37Å; F222-K226 HydrophobicContact CE1-CD 3.69Å; F222-K226 HydrophobicContact CE1-CG 4.38Å; F222-K226 HydrophobicContact CE2-CD 4.21Å; F222-K226 HydrophobicContact CE2-CG 4.02Å; F222-K226 HydrophobicContact CZ-CD 3.71Å; F222-K226 HydrophobicContact CZ-CG 4.03Å; F222-K226 WeakPolarHBondContact O-CB 3.39Å; F222-K226 WeakPolarHBondContact O-CG 3.26Å; F222-K226 PolarHBondContact O-N 2.86Å; E223-K226 VanDerWaalsContact CD-CE 3.42Å; E223-K226 PolarHBondContact O-N 2.98Å; E223-K226 WeakPolarHBondContact OE1-CE 3.3Å; E223-K226 IonicContact OE1-NZ 3.6Å; E223-K226 PolarHBondContact OE1-NZ 3.43Å; E223-K226 WeakPolarHBondContact OE2-CE 3.37Å; E223-K226 IonicContact OE2-NZ 3.66Å; E223-K226 PolarHBondContact OE2-NZ 3.38Å; K226-S228 VanDerWaalsContact C-N 3.35Å; K226-G230 CarbonylContact O-C 3.33Å; K226-G230 WeakPolarHBondContact O-CA 3.11Å; K226-G230 PolarHBondContact O-N 3.34Å; K226-V231 HydrophobicContact CD-CG1 4.36Å; K226-C234 HydrophobicContact CG-CB 3.85Å |
| 227 | T | 92 | Very high | 90.4 | Very high | 121 Ų | 121 | 58.3 Ų | 58.3 | 74% | 0.742 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.6 | -37.5 | 178.1 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | E223 E224 V225 | E223-T227 WeakPolarHBondContact O-CB 3.29Å; E223-T227 PolarHBondContact O-N 3.11Å; E223-T227 PolarHBondContact O-OG1 2.96Å; E224-T227 PolarHBondContact O-N 3.38Å; V225-T227 VanDerWaalsContact C-N 3.29Å; V225-T227 PolarHBondContact O-N 2.84Å |
| 228 | S | 90.7 | Very high | 90.9 | Very high | 71 Ų | 71 | 53.4 Ų | 53.4 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -80.1 | -36.5 | -178.3 | -68.2 | 0 | 0 | 0 | 0 | 114.4 | K162 E224 V225 K226 | K162-S228 WeakPolarHBondContact CE-OG 2.98Å; K162-S228 PolarHBondContact NZ-OG 3.49Å; E224-S228 PolarHBondContact O-N 3.37Å; E224-S228 PolarHBondContact O-OG 3.38Å; V225-S228 PolarHBondContact O-N 3.27Å; V225-S228 VanDerWaalsContact O-N 3.16Å; K226-S228 VanDerWaalsContact C-N 3.35Å |
| 229 | Y | 90.1 | Very high | 90.9 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -117.1 | -6.7 | -170.5 | -58 | -76.1 | 0 | 0 | 0 | 114.3 | I165 N166 Y206 V225 | I165-Y229 HydrophobicContact CD1-CE2 4.35Å; I165-Y229 HydrophobicContact CG2-CE1 4.3Å; I165-Y229 HydrophobicContact CG2-CE2 4.16Å; N166-Y229 PolarHBondContact OD1-OH 3.47Å; Y206-Y229 HydrophobicContact CD1-CD1 4.45Å; Y206-Y229 HydrophobicContact CD1-CG 4.43Å; Y206-Y229 HydrophobicContact CD2-CD1 4.26Å; Y206-Y229 AromaticContact CD2-CG 3.88Å; Y206-Y229 HydrophobicContact CD2-CG 3.88Å; Y206-Y229 AromaticContact CE1-CD1 3.9Å; Y206-Y229 HydrophobicContact CE1-CD1 3.9Å; Y206-Y229 HydrophobicContact CE1-CE1 4.08Å; Y206-Y229 HydrophobicContact CE1-CG 4.32Å; Y206-Y229 AromaticContact CE2-CD1 3.72Å; Y206-Y229 HydrophobicContact CE2-CD1 3.72Å; Y206-Y229 AromaticContact CE2-CG 3.78Å; Y206-Y229 HydrophobicContact CE2-CG 3.78Å; Y206-Y229 HydrophobicContact CG-CD2 4.49Å; Y206-Y229 HydrophobicContact CG-CG 4.22Å; Y206-Y229 AromaticContact CZ-CD1 3.49Å; Y206-Y229 VanDerWaalsContact CZ-CD1 3.49Å; Y206-Y229 AromaticContact CZ-CG 3.98Å; V225-Y229 HydrophobicContact CB-CD2 4.5Å; V225-Y229 HydrophobicContact CG1-CD2 3.78Å; V225-Y229 HydrophobicContact CG1-CE2 4.32Å; V225-Y229 WeakPolarHBondContact O-CD2 3.29Å; V225-Y229 PolarHBondContact O-N 3.22Å |
| 230 | G | 88.7 | Confident | 90.8 | Very high | 32 Ų | 32 | 49 Ų | 49 | 33% | 0.33 | 26% | 0.263 | S | S | . | . | trans | 101.1 | 139.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K226 N232 A233 C234 | K226-G230 CarbonylContact O-C 3.33Å; K226-G230 WeakPolarHBondContact O-CA 3.11Å; K226-G230 PolarHBondContact O-N 3.34Å; G230-N232 VanDerWaalsContact C-N 3.29Å; G230-N232 PolarHBondContact O-N 2.96Å; G230-A233 PolarHBondContact O-N 2.8Å; G230-A233 VanDerWaalsContact O-N 3.12Å; G230-C234 PolarHBondContact O-SG 3.03Å | ||
| 231 | V | 86 | Confident | 90.4 | Very high | 100 Ų | 100 | 44.7 Ų | 44.7 | 61% | 0.606 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -59.1 | -37.6 | -175 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | K226 A233 | K226-V231 HydrophobicContact CD-CG1 4.36Å; V231-A233 VanDerWaalsContact C-N 3.3Å; V231-A233 PolarHBondContact O-N 3.02Å |
| 232 | N | 86 | Confident | 90 | Very high | 104 Ų | 104 | 47.4 Ų | 47.4 | 56% | 0.556 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -83.4 | -3.9 | -177.3 | -64.1 | -17.3 | 0 | 0 | 0 | 113.9 | Y205 G230 | Y205-N232 WeakPolarHBondContact CE2-O 3.47Å; G230-N232 VanDerWaalsContact C-N 3.29Å; G230-N232 PolarHBondContact O-N 2.96Å |
| 233 | A | 90.8 | Very high | 88.9 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -111.8 | 7.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y206 G230 V231 | Y206-A233 HydrophobicContact CD2-CB 4.39Å; Y206-A233 WeakPolarHBondContact CD2-O 3.43Å; Y206-A233 PolarHBondContact N-O 2.94Å; G230-A233 PolarHBondContact O-N 2.8Å; G230-A233 VanDerWaalsContact O-N 3.12Å; V231-A233 VanDerWaalsContact C-N 3.3Å; V231-A233 PolarHBondContact O-N 3.02Å |
| 234 | C | 93.7 | Very high | 87.4 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 142.1 | -173.9 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | Y206 F222 V225 K226 G230 | Y206-C234 CarbonylContact O-C 3.56Å; Y206-C234 VanDerWaalsContact O-CA 3.25Å; Y206-C234 WeakPolarHBondContact O-CA 3.14Å; F222-C234 HydrophobicContact CE2-CB 3.83Å; V225-C234 HydrophobicContact CG1-CB 4.41Å; K226-C234 HydrophobicContact CG-CB 3.85Å; G230-C234 PolarHBondContact O-SG 3.03Å |
| 235 | H | 94.8 | Very high | 85.9 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.5 | 172 | -167.5 | 92.2 | 0 | 0 | 0 | 111.6 | Y205 Y206 L207 L208 F354 E357 | Y205-H235 HydrophobicContact CE1-CB 3.88Å; Y206-H235 PolarHBondContact O-N 3.46Å; L207-H235 HydrophobicContact CD1-CB 3.81Å; L208-H235 PolarHBondContact N-O 2.91Å; H235-F354 HydrophobicContact CB-CD2 4.04Å; H235-F354 HydrophobicContact CB-CE2 4.36Å; H235-F354 AromaticContact CD2-CD2 3.54Å; H235-F354 AromaticContact CG-CD2 3.73Å; H235-E357 IonicContact CE1-OE2 3.33Å; H235-E357 PolarHBondContact CE1-OE2 3.07Å; H235-E357 IonicContact ND1-OE2 3.07Å; H235-E357 PolarHBondContact ND1-OE2 2.72Å |
| 236 | L | 94.4 | Very high | 84.4 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 110.3 | 175.1 | 176.2 | 65.4 | 0 | 0 | 0 | 109 | T156 L208 H210 A218 F222 | T156-L236 HydrophobicContact CG2-CD1 4.09Å; L208-L236 HydrophobicContact CB-CD1 3.83Å; H210-L236 HydrophobicContact CB-CD1 4.08Å; A218-L236 HydrophobicContact CB-CD1 4.43Å; A218-L236 HydrophobicContact CB-CD2 4.46Å; F222-L236 HydrophobicContact CB-CB 4.38Å; F222-L236 HydrophobicContact CB-CD2 4.14Å; F222-L236 HydrophobicContact CD1-CB 3.91Å; F222-L236 HydrophobicContact CD1-CD2 4.28Å; F222-L236 HydrophobicContact CD2-CB 3.8Å; F222-L236 HydrophobicContact CE1-CB 4.07Å; F222-L236 HydrophobicContact CE2-CB 3.97Å; F222-L236 HydrophobicContact CG-CB 3.77Å; F222-L236 HydrophobicContact CG-CD2 4.26Å; F222-L236 HydrophobicContact CZ-CB 4.11Å |
| 237 | L | 94.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122 | -178.1 | 178.2 | 68.5 | 0 | 0 | 0 | 110.6 | F42 L207 L208 I209 H210 I239 R350 L351 F354 | F42-L237 HydrophobicContact CE2-CD2 3.96Å; L207-L237 HydrophobicContact CD1-CB 3.8Å; L207-L237 HydrophobicContact CD2-CD2 4.25Å; L207-L237 HydrophobicContact CG-CB 4.49Å; L208-L237 PolarHBondContact O-N 2.93Å; I209-L237 CarbonylContact C-O 3.58Å; I209-L237 WeakPolarHBondContact CA-O 3.29Å; I209-L237 HydrophobicContact CG1-CD2 4.49Å; H210-L237 PolarHBondContact N-O 3.12Å; L237-I239 HydrophobicContact CD2-CD1 3.59Å; L237-I239 HydrophobicContact CD2-CG1 4.07Å; L237-I239 HydrophobicContact CG-CD1 4Å; L237-I239 HydrophobicContact CG-CG1 3.92Å; L237-R350 HydrophobicContact CD1-CB 4.07Å; L237-L351 HydrophobicContact CD1-CD2 3.97Å; L237-L351 HydrophobicContact CD2-CD2 3.68Å; L237-L351 HydrophobicContact CG-CD2 4.4Å; L237-F354 HydrophobicContact CD1-CB 4.37Å |
| 238 | R | 92.1 | Very high | 81.2 | Confident | 83 Ų | 83 | 56 Ų | 56 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.7 | 176.3 | -65.2 | 178.5 | 171.9 | 91.4 | -3.6 | 110 | H210 E219 R350 | H210-R238 HydrophobicContact CB-CG 4.35Å; H210-R238 VanDerWaalsContact O-CA 3.3Å; H210-R238 WeakPolarHBondContact O-CA 3.36Å; E219-R238 IonicContact OE1-CZ 3.28Å; E219-R238 IonicContact OE1-NH1 2.72Å; E219-R238 IonicContact OE1-NH2 2.65Å; E219-R238 PolarHBondContact OE1-NH2 3.46Å; R238-R350 PolarHBondContact O-NE 3.26Å |
| 239 | I | 88.5 | Confident | 80 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | trans | -126.8 | 125.2 | -179.1 | -63 | 168.1 | 0 | 0 | 0 | 110.5 | L45 I209 H210 P212 L237 L343 D347 | L45-I239 HydrophobicContact CD2-CD1 4.11Å; I209-I239 HydrophobicContact CD1-CD1 4.36Å; I209-I239 HydrophobicContact CG2-CD1 4.29Å; H210-I239 PolarHBondContact O-N 3.43Å; P212-I239 WeakPolarHBondContact CD-O 3.39Å; L237-I239 HydrophobicContact CD2-CD1 3.59Å; L237-I239 HydrophobicContact CD2-CG1 4.07Å; L237-I239 HydrophobicContact CG-CD1 4Å; L237-I239 HydrophobicContact CG-CG1 3.92Å; I239-L343 HydrophobicContact CG2-CD2 3.67Å; I239-D347 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 240 | N | 86.8 | Confident | 79.3 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.064 | 33% | 0.327 | C | S | . | . | trans | -65.8 | 132 | 172.2 | -172.9 | 11.5 | 0 | 0 | 0 | 111.8 | N38 Y213 L242 C342 D347 | N38-N240 PolarHBondContact ND2-O 3.18Å; Y213-N240 WeakPolarHBondContact CE2-OD1 3.49Å; N240-L242 PolarHBondContact ND2-O 2.72Å; N240-L242 PolarHBondContact OD1-N 3.38Å; N240-L242 PolarHBondContact OD1-O 3.47Å; N240-C342 VanDerWaalsContact CB-O 3.31Å; N240-C342 WeakPolarHBondContact CB-O 3.29Å; N240-C342 PolarHBondContact ND2-O 3.32Å; N240-D347 WeakPolarHBondContact CB-OD2 3.48Å; N240-D347 PolarHBondContact N-OD1 2.87Å | ||
| 241 | S | 81.4 | Confident | 78.7 | Confident | 12 Ų | 12 | 57 Ų | 57 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | trans | -115.7 | -7.4 | -179.3 | 91.7 | 0 | 0 | 0 | 0 | 113.7 | K37 D211 C342 | K37-S241 VanDerWaalsContact CD-CB 3.47Å; K37-S241 PolarHBondContact NZ-OG 3.41Å; D211-S241 PolarHBondContact OD1-OG 3.02Å; D211-S241 WeakPolarHBondContact OD2-CB 3.35Å; D211-S241 PolarHBondContact OD2-OG 2.66Å; S241-C342 PolarHBondContact O-SG 3.29Å; S241-C342 VanDerWaalsContact O-SG 3.35Å | ||
| 242 | L | 80 | Confident | 78.3 | Confident | 92 Ų | 92 | 54.8 Ų | 54.8 | 48% | 0.482 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -99.1 | 146 | 175.3 | -72.7 | 172.2 | 0 | 0 | 0 | 111.1 | Y213 N240 A244 C342 | Y213-L242 HydrophobicContact CD1-CD1 3.57Å; Y213-L242 HydrophobicContact CD2-CD1 3.77Å; Y213-L242 HydrophobicContact CD2-CG 4.11Å; Y213-L242 HydrophobicContact CE1-CD1 3.69Å; Y213-L242 HydrophobicContact CE2-CB 4.18Å; Y213-L242 HydrophobicContact CE2-CD1 3.94Å; Y213-L242 HydrophobicContact CE2-CG 4.25Å; Y213-L242 HydrophobicContact CG-CD1 3.58Å; Y213-L242 HydrophobicContact CG-CG 4.35Å; N240-L242 PolarHBondContact ND2-O 2.72Å; N240-L242 PolarHBondContact OD1-N 3.38Å; N240-L242 PolarHBondContact OD1-O 3.47Å; L242-A244 PolarHBondContact O-N 3.26Å; L242-C342 VanDerWaalsContact O-CB 3.27Å; L242-C342 WeakPolarHBondContact O-CB 3.35Å |
| 243 | Q | 69.6 | Low | 78 | Confident | 150 Ų | 150 | 53.3 Ų | 53.3 | 70% | 0.701 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 121.9 | -175.4 | -156.7 | 168.1 | 10.2 | 0 | 0 | 110.5 | ||
| 244 | A | 62.2 | Low | 77.5 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 21% | 0.207 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 145.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L242 D248 T344 | L242-A244 PolarHBondContact O-N 3.26Å; A244-D248 HydrophobicContact CB-CB 4.36Å; A244-T344 HydrophobicContact CB-CG2 4.27Å |
| 245 | S | 59 | Low | 76.3 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -54 | 148.3 | 171.8 | 173 | 0 | 0 | 0 | 0 | 110.3 | V247 D248 | S245-V247 PolarHBondContact O-N 3.16Å; S245-D248 PolarHBondContact O-N 2.94Å |
| 246 | A | 58 | Low | 74.9 | Confident | 92 Ų | 92 | 61 Ų | 61 | 76% | 0.76 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -11.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | V249 | A246-V249 WeakPolarHBondContact O-CG2 3.14Š|
| 247 | V | 56.4 | Low | 73.4 | Confident | 129 Ų | 129 | 62.4 Ų | 62.4 | 78% | 0.782 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -22.6 | 178.4 | -173.7 | 0 | 0 | 0 | 0 | 112.7 | S245 | S245-V247 PolarHBondContact O-N 3.16Š|
| 248 | D | 61 | Low | 71.8 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 44% | 0.444 | 37% | 0.367 | S | S | . | . | trans | -103.6 | 31 | -174.4 | -68.5 | -36.6 | 0 | 0 | 0 | 113.3 | A244 S245 V250 | A244-D248 HydrophobicContact CB-CB 4.36Å; S245-D248 PolarHBondContact O-N 2.94Å; D248-V250 PolarHBondContact O-N 3.17Å; D248-V250 VanDerWaalsContact O-N 3.1Å | ||
| 249 | V | 65.5 | Low | 70.1 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | trans | -74.4 | 104.8 | -175.9 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | A246 | A246-V249 WeakPolarHBondContact O-CG2 3.14Š| ||
| 250 | V | 76.2 | Confident | 68.9 | Low | 13 Ų | 13 | 66.3 Ų | 66.3 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | trans | -63.6 | 148.9 | 177.8 | -129.6 | 0 | 0 | 0 | 0 | 111.6 | D248 Y253 R338 L343 V348 | D248-V250 PolarHBondContact O-N 3.17Å; D248-V250 VanDerWaalsContact O-N 3.1Å; V250-Y253 HydrophobicContact CG1-CE2 4.07Å; V250-R338 PolarHBondContact O-NH2 3.29Å; V250-L343 HydrophobicContact CG2-CB 4.11Å; V250-L343 WeakPolarHBondContact CG2-O 2.88Å; V250-V348 HydrophobicContact CG1-CB 4.4Å; V250-V348 HydrophobicContact CG1-CG2 3.66Å | ||
| 251 | P | 76.7 | Confident | 68 | Low | 73 Ų | 73 | 65.8 Ų | 65.8 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | trans | -55.2 | 150.2 | 171.8 | -27.7 | 36.4 | 0 | 0 | 0 | 112.5 | Y253 | P251-Y253 HydrophobicContact CB-CE2 4.16Å; P251-Y253 WeakPolarHBondContact O-CD2 3.33Å; P251-Y253 WeakPolarHBondContact O-CE2 3.25Å; P251-Y253 PolarHBondContact O-N 2.94Å; P251-Y253 VanDerWaalsContact O-N 3.11Å | ||
| 252 | D | 76.6 | Confident | 67.1 | Low | 52 Ų | 52 | 65.5 Ų | 65.5 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | trans | -77.2 | 99.9 | 178.2 | -165.1 | -13.2 | 0 | 0 | 0 | 111.2 | W254 S255 R338 | D252-W254 PolarHBondContact OD1-N 3.17Å; D252-S255 PolarHBondContact OD1-N 3.06Å; D252-S255 VanDerWaalsContact OD1-N 3.08Å; D252-S255 PolarHBondContact OD1-OG 2.68Å; D252-S255 VanDerWaalsContact OD1-OG 3.11Å; D252-S255 WeakPolarHBondContact OD2-CB 3.05Å; D252-S255 PolarHBondContact OD2-OG 3.1Å; D252-R338 VanDerWaalsContact N-NH2 3.14Å; D252-R338 IonicContact OD2-NE 3.98Å | ||
| 253 | Y | 79 | Confident | 66.3 | Low | 74 Ų | 74 | 64.2 Ų | 64.2 | 29% | 0.29 | 39% | 0.387 | S | S | . | . | trans | -86.1 | -19.5 | 179.8 | -66.5 | -76 | 0 | 0 | 0 | 113.7 | P48 F49 V250 P251 V348 | P48-Y253 HydrophobicContact CB-CD1 4.45Å; P48-Y253 HydrophobicContact CB-CG 4.4Å; F49-Y253 HydrophobicContact CZ-CD2 4.4Å; V250-Y253 HydrophobicContact CG1-CE2 4.07Å; P251-Y253 HydrophobicContact CB-CE2 4.16Å; P251-Y253 WeakPolarHBondContact O-CD2 3.33Å; P251-Y253 WeakPolarHBondContact O-CE2 3.25Å; P251-Y253 PolarHBondContact O-N 2.94Å; P251-Y253 VanDerWaalsContact O-N 3.11Å; Y253-V348 HydrophobicContact CE2-CG1 4.28Å; Y253-V348 HydrophobicContact CE2-CG2 4.22Å | ||
| 254 | W | 81 | Confident | 65.9 | Low | 22 Ų | 22 | 59 Ų | 59 | 8% | 0.083 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -106.6 | -30.3 | -166.5 | -66.1 | -86.9 | 0 | 0 | 0 | 114.2 | L40 D44 P48 F49 D252 L256 M257 P339 L343 | L40-W254 HydrophobicContact CD1-CD2 3.65Å; L40-W254 VanDerWaalsContact CD1-CE2 3.41Å; L40-W254 HydrophobicContact CD1-CE3 4.19Å; L40-W254 HydrophobicContact CD1-CG 4.02Å; L40-W254 HydrophobicContact CD1-CH2 4.38Å; L40-W254 HydrophobicContact CD1-CZ2 3.82Å; L40-W254 HydrophobicContact CD2-CG 4.01Å; D44-W254 PolarHBondContact O-NE1 3.08Å; P48-W254 HydrophobicContact CG-CD2 4.24Å; P48-W254 HydrophobicContact CG-CG 4.26Å; P48-W254 HydrophobicContact CG-CZ2 4.19Å; F49-W254 HydrophobicContact CE2-CZ2 4.19Å; D252-W254 PolarHBondContact OD1-N 3.17Å; W254-L256 PolarHBondContact O-N 3.21Å; W254-L256 VanDerWaalsContact O-N 3.16Å; W254-M257 WeakPolarHBondContact O-CB 3.35Å; W254-M257 PolarHBondContact O-N 2.93Å; W254-P339 HydrophobicContact CB-CB 3.97Å; W254-P339 HydrophobicContact CB-CG 4.43Å; W254-P339 HydrophobicContact CG-CB 4.37Å; W254-L343 HydrophobicContact CH2-CD1 3.32Å; W254-L343 HydrophobicContact CZ2-CD1 4.01Å; W254-L343 HydrophobicContact CZ3-CD1 4.03Å |
| 255 | S | 69.1 | Low | 65.7 | Low | 77 Ų | 77 | 57.8 Ų | 57.8 | 54% | 0.538 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.4 | 179.7 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | D252 | D252-S255 PolarHBondContact OD1-N 3.06Å; D252-S255 VanDerWaalsContact OD1-N 3.08Å; D252-S255 PolarHBondContact OD1-OG 2.68Å; D252-S255 VanDerWaalsContact OD1-OG 3.11Å; D252-S255 WeakPolarHBondContact OD2-CB 3.05Å; D252-S255 PolarHBondContact OD2-OG 3.1Å |
| 256 | L | 64.7 | Low | 65.7 | Low | 108 Ų | 108 | 55.9 Ų | 55.9 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1.9 | 174.4 | -62.1 | 170.9 | 0 | 0 | 0 | 113.7 | W254 | W254-L256 PolarHBondContact O-N 3.21Å; W254-L256 VanDerWaalsContact O-N 3.16Å |
| 257 | M | 64.1 | Low | 65.7 | Low | 44 Ų | 44 | 55.9 Ų | 55.9 | 22% | 0.217 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -84.8 | 140.6 | -178.8 | -67.7 | -88.2 | 74.6 | 0 | 0 | 111.9 | N4 K47 W254 | N4-M257 HydrophobicContact CB-CE 3.31Å; N4-M257 WeakPolarHBondContact ND2-CE 3.37Å; K47-M257 HydrophobicContact CB-SD 4.23Å; W254-M257 WeakPolarHBondContact O-CB 3.35Å; W254-M257 PolarHBondContact O-N 2.93Å |
| 258 | P | 59.7 | Low | 65.6 | Low | 40 Ų | 40 | 52.5 Ų | 52.5 | 26% | 0.26 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 143.4 | 173.5 | 24.4 | -29.1 | 0 | 0 | 0 | 110.2 | Y130 | Y130-P258 HydrophobicContact CE1-CG 4.11Š|
| 259 | P | 57.1 | Low | 64.9 | Low | 89 Ų | 89 | 53.7 Ų | 53.7 | 58% | 0.578 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 144.2 | -178.9 | 23 | -31.8 | 0 | 0 | 0 | 111.1 | L261 | P259-L261 PolarHBondContact O-N 3.32Š|
| 260 | S | 63.5 | Low | 63.5 | Low | 39 Ų | 39 | 57.7 Ų | 57.7 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -65 | 118.9 | 179.1 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | S262 S263 | S260-S262 PolarHBondContact O-N 3.49Å; S260-S262 PolarHBondContact OG-OG 2.87Å; S260-S263 WeakPolarHBondContact CB-OG 3.46Å; S260-S263 PolarHBondContact O-N 3.34Å; S260-S263 PolarHBondContact O-OG 3.45Å |
| 261 | L | 67.1 | Low | 61.3 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62 | -32.8 | 178.8 | -164.6 | 79.9 | 0 | 0 | 0 | 111.8 | L86 L91 A94 I98 H131 H135 P259 S263 I264 A265 | L86-L261 HydrophobicContact CD1-CD2 3.5Å; L86-L261 HydrophobicContact CD1-CG 4.04Å; L91-L261 HydrophobicContact CD1-CD2 3.6Å; A94-L261 HydrophobicContact CB-CD1 3.79Å; A94-L261 HydrophobicContact CB-CD2 4.39Å; A94-L261 HydrophobicContact CB-CG 3.96Å; I98-L261 HydrophobicContact CD1-CD1 3.07Å; I98-L261 HydrophobicContact CG1-CD1 4.07Å; H131-L261 HydrophobicContact CB-CD1 4.36Å; H131-L261 HydrophobicContact CB-CD2 4.34Å; H135-L261 HydrophobicContact CB-CD2 3.69Å; P259-L261 PolarHBondContact O-N 3.32Å; L261-S263 VanDerWaalsContact C-N 3.26Å; L261-S263 PolarHBondContact O-N 3.15Å; L261-I264 PolarHBondContact O-N 2.86Å; L261-I264 VanDerWaalsContact O-N 3.14Å; L261-A265 PolarHBondContact O-N 2.98Å |
| 262 | S | 62.8 | Low | 58.9 | Low | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.3 | -36.7 | 179.7 | -25.2 | 0 | 0 | 0 | 0 | 111.8 | R82 S260 A266 | R82-S262 VanDerWaalsContact O-CB 3.3Å; R82-S262 WeakPolarHBondContact O-CB 3.39Å; S260-S262 PolarHBondContact O-N 3.49Å; S260-S262 PolarHBondContact OG-OG 2.87Å; S262-A266 WeakPolarHBondContact O-CB 3.35Å; S262-A266 PolarHBondContact O-N 2.92Å |
| 263 | S | 63.4 | Low | 56.6 | Low | 66 Ų | 66 | 68.1 Ų | 68.1 | 46% | 0.462 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.2 | -38.1 | 175.2 | 21.6 | 0 | 0 | 0 | 0 | 112.9 | S260 L261 A266 T267 | S260-S263 WeakPolarHBondContact CB-OG 3.46Å; S260-S263 PolarHBondContact O-N 3.34Å; S260-S263 PolarHBondContact O-OG 3.45Å; L261-S263 VanDerWaalsContact C-N 3.26Å; L261-S263 PolarHBondContact O-N 3.15Å; S263-A266 PolarHBondContact O-N 3.07Å; S263-T267 PolarHBondContact O-N 3.23Å; S263-T267 PolarHBondContact O-OG1 2.78Å |
| 264 | I | 60.8 | Low | 54.1 | Low | 39 Ų | 39 | 69 Ų | 69 | 20% | 0.2 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 175.8 | -59 | 173.6 | 0 | 0 | 0 | 109.2 | A94 D97 I98 L261 A266 T267 F268 | A94-I264 HydrophobicContact CB-CG2 4.49Å; D97-I264 HydrophobicContact CB-CG2 4.24Å; I98-I264 HydrophobicContact CG1-CD1 4.41Å; L261-I264 PolarHBondContact O-N 2.86Å; L261-I264 VanDerWaalsContact O-N 3.14Å; I264-A266 VanDerWaalsContact C-N 3.31Å; I264-A266 PolarHBondContact O-N 3.26Å; I264-T267 WeakPolarHBondContact O-CB 3.49Å; I264-T267 PolarHBondContact O-N 3.35Å; I264-T267 VanDerWaalsContact O-N 3.11Å; I264-F268 HydrophobicContact CG2-CE2 4.24Å; I264-F268 WeakPolarHBondContact O-CD2 3.36Å; I264-F268 WeakPolarHBondContact O-CE2 3.39Å |
| 265 | A | 58.9 | Low | 51.4 | Low | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L86 L261 T267 F268 | L86-A265 HydrophobicContact CD1-CB 4.11Å; L86-A265 HydrophobicContact CD2-CB 4.11Å; L261-A265 PolarHBondContact O-N 2.98Å; A265-T267 VanDerWaalsContact C-N 3.29Å; A265-T267 PolarHBondContact O-N 2.85Å; A265-F268 WeakPolarHBondContact O-CD2 3.3Å; A265-F268 PolarHBondContact O-N 3.27Å |
| 266 | A | 57.8 | Low | 49.4 | Very low | 39 Ų | 39 | 79.1 Ų | 79.1 | 32% | 0.322 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.8 | -25.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S262 S263 I264 F268 Q269 | S262-A266 WeakPolarHBondContact O-CB 3.35Å; S262-A266 PolarHBondContact O-N 2.92Å; S263-A266 PolarHBondContact O-N 3.07Å; I264-A266 VanDerWaalsContact C-N 3.31Å; I264-A266 PolarHBondContact O-N 3.26Å; A266-F268 VanDerWaalsContact C-N 3.25Å; A266-F268 PolarHBondContact O-N 3.37Å; A266-Q269 VanDerWaalsContact O-CB 3.22Å; A266-Q269 WeakPolarHBondContact O-CB 3.37Å; A266-Q269 PolarHBondContact O-N 3.02Å; A266-Q269 VanDerWaalsContact O-N 3.12Å |
| 267 | T | 58.6 | Low | 47.5 | Very low | 92 Ų | 92 | 80.7 Ų | 80.7 | 56% | 0.564 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68 | -27.2 | -178.8 | -47.5 | 0 | 0 | 0 | 0 | 111.8 | S263 I264 A265 Q269 E270 | S263-T267 PolarHBondContact O-N 3.23Å; S263-T267 PolarHBondContact O-OG1 2.78Å; I264-T267 WeakPolarHBondContact O-CB 3.49Å; I264-T267 PolarHBondContact O-N 3.35Å; I264-T267 VanDerWaalsContact O-N 3.11Å; A265-T267 VanDerWaalsContact C-N 3.29Å; A265-T267 PolarHBondContact O-N 2.85Å; T267-Q269 PolarHBondContact O-N 2.86Å; T267-Q269 VanDerWaalsContact O-N 3.15Å; T267-E270 PolarHBondContact O-N 2.96Å |
| 268 | F | 54.2 | Low | 45.6 | Very low | 57 Ų | 57 | 86.6 Ų | 86.6 | 25% | 0.25 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -11.9 | 174.7 | -63 | -73.5 | 0 | 0 | 0 | 113.6 | P93 D97 M191 I264 A265 A266 | P93-F268 HydrophobicContact CB-CE1 4.27Å; P93-F268 HydrophobicContact CB-CE2 4.14Å; P93-F268 HydrophobicContact CB-CZ 3.86Å; D97-F268 WeakPolarHBondContact OD2-CZ 3.36Å; M191-F268 HydrophobicContact CE-CB 4.34Å; I264-F268 HydrophobicContact CG2-CE2 4.24Å; I264-F268 WeakPolarHBondContact O-CD2 3.36Å; I264-F268 WeakPolarHBondContact O-CE2 3.39Å; A265-F268 WeakPolarHBondContact O-CD2 3.3Å; A265-F268 PolarHBondContact O-N 3.27Å; A266-F268 VanDerWaalsContact C-N 3.25Å; A266-F268 PolarHBondContact O-N 3.37Å |
| 269 | Q | 46.8 | Very low | 43.9 | Very low | 109 Ų | 109 | 91 Ų | 91 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -20.3 | 178.4 | -155.1 | 170.2 | 18.3 | 0 | 0 | 113 | S188 A266 T267 | S188-Q269 PolarHBondContact OG-NE2 2.76Å; A266-Q269 VanDerWaalsContact O-CB 3.22Å; A266-Q269 WeakPolarHBondContact O-CB 3.37Å; A266-Q269 PolarHBondContact O-N 3.02Å; A266-Q269 VanDerWaalsContact O-N 3.12Å; T267-Q269 PolarHBondContact O-N 2.86Å; T267-Q269 VanDerWaalsContact O-N 3.15Å |
| 270 | E | 35.5 | Very low | 42.4 | Very low | 172 Ų | 172 | 91.7 Ų | 91.7 | 80% | 0.804 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -93.9 | -12.4 | -177.1 | -70.6 | -170.5 | 165.4 | 0 | 0 | 114.2 | T267 P272 | T267-E270 PolarHBondContact O-N 2.96Å; E270-P272 WeakPolarHBondContact O-CD 3.4Å |
| 271 | A | 29.5 | Very low | 40.5 | Very low | 57 Ų | 57 | 99.2 Ų | 99.2 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -83.5 | 119.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F273 | A271-F273 PolarHBondContact O-N 3.04Š|
| 272 | P | 26.9 | Very low | 38.5 | Very low | 127 Ų | 127 | 109.2 Ų | 109.2 | 83% | 0.825 | 58% | 0.581 | S | S | * | * | trans | -70.4 | 102 | 176.5 | 28.6 | -30.1 | 0 | 0 | 0 | 108.2 | E270 S274 | E270-P272 WeakPolarHBondContact O-CD 3.4Å; P272-S274 PolarHBondContact O-N 2.79Å | ||
| 273 | F | 28.6 | Very low | 36.6 | Very low | 173 Ų | 173 | 118 Ų | 118 | 76% | 0.759 | 62% | 0.618 | S | S | * | * | trans | -64.6 | 105.8 | 166.3 | -85 | -89.9 | 0 | 0 | 0 | 107.7 | A271 E275 | A271-F273 PolarHBondContact O-N 3.04Å; F273-E275 PolarHBondContact O-N 3.3Å | ||
| 274 | S | 26.8 | Very low | 34.7 | Very low | 93 Ų | 93 | 120.3 Ų | 120.3 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | trans | -62.7 | 117.9 | 158.9 | 55.4 | 0 | 0 | 0 | 0 | 107.1 | P272 V276 | P272-S274 PolarHBondContact O-N 2.79Å; S274-V276 PolarHBondContact O-N 3.28Å | ||
| 275 | E | 24.7 | Very low | 32.9 | Very low | 191 Ų | 191 | 123.1 Ų | 123.1 | 89% | 0.893 | 66% | 0.661 | S | S | * | * | trans | -48 | 107.5 | 163.4 | -72.2 | 175.8 | 155.7 | 0 | 0 | 107.7 | F273 | F273-E275 PolarHBondContact O-N 3.3Š| ||
| 276 | V | 26.6 | Very low | 31.3 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | trans | -94.2 | 112 | 162.2 | -172.3 | 0 | 0 | 0 | 0 | 104.3 | S274 | S274-V276 PolarHBondContact O-N 3.28Š| ||
| 277 | D | 24.7 | Very low | 29.6 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | trans | -42.9 | 135.4 | 175.8 | -76.1 | -52.2 | 0 | 0 | 0 | 112.2 | V279 | D277-V279 PolarHBondContact O-N 3.13Š| ||
| 278 | D | 23.5 | Very low | 27.9 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | trans | 4.1 | 86 | 150.2 | -117.6 | -14.1 | 0 | 0 | 0 | 114.9 | D280 | D278-D280 PolarHBondContact O-N 3.1Š| ||
| 279 | V | 24.7 | Very low | 26.6 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | -92.6 | 86.9 | 159.3 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | D277 E281 | D277-V279 PolarHBondContact O-N 3.13Å; V279-E281 PolarHBondContact O-N 3.06Å | ||
| 280 | D | 24.2 | Very low | 25.5 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 56% | 0.561 | 77% | 0.766 | S | S | * | * | trans | -3.5 | 110.5 | 152.7 | -156.9 | 19 | 0 | 0 | 0 | 112.9 | D278 R282 | D278-D280 PolarHBondContact O-N 3.1Å; D280-R282 PolarHBondContact O-N 3.17Å; D280-R282 IonicContact OD2-NE 3.77Å | ||
| 281 | E | 25.6 | Very low | 25 | Very low | 196 Ų | 196 | 136.3 Ų | 136.3 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | trans | -59.6 | 74.1 | 168.6 | -84.9 | -170.4 | 149.8 | 0 | 0 | 109.7 | V279 K283 | V279-E281 PolarHBondContact O-N 3.06Å; E281-K283 PolarHBondContact O-N 2.85Å | ||
| 282 | R | 23.9 | Very low | 24.8 | Very low | 210 Ų | 210 | 140.6 Ų | 140.6 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -73.3 | 102.3 | 165.3 | -74.2 | -174.4 | -176.3 | 175.3 | 1 | 107.1 | D280 | D280-R282 PolarHBondContact O-N 3.17Å; D280-R282 IonicContact OD2-NE 3.77Å | ||
| 283 | K | 23.2 | Very low | 24.7 | Very low | 190 Ų | 190 | 138 Ų | 138 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -28 | 121.9 | 159 | -76.7 | 178.3 | 174.8 | 177.6 | 0 | 109.4 | E281 A285 | E281-K283 PolarHBondContact O-N 2.85Å; K283-A285 PolarHBondContact O-N 3.23Å | ||
| 284 | P | 24.2 | Very low | 24.6 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -62.7 | 113 | 172.1 | 26.2 | -29.9 | 0 | 0 | 0 | 106.6 | C286 | P284-C286 VanDerWaalsContact C-N 3.3Å; P284-C286 PolarHBondContact O-N 2.9Å | ||
| 285 | A | 22.8 | Very low | 24.4 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -63.7 | 94.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | K283 L287 | K283-A285 PolarHBondContact O-N 3.23Å; A285-L287 PolarHBondContact O-N 2.97Å | ||
| 286 | C | 24 | Very low | 24.6 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | trans | -77.2 | 115.1 | 166.6 | -70.7 | 0 | 0 | 0 | 0 | 107.8 | P284 | P284-C286 VanDerWaalsContact C-N 3.3Å; P284-C286 PolarHBondContact O-N 2.9Å | ||
| 287 | L | 23.2 | Very low | 24.5 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -72.1 | 141.1 | 168.6 | -71 | 167 | 0 | 0 | 0 | 109.6 | A285 | A285-L287 PolarHBondContact O-N 2.97Š| ||
| 288 | P | 22.7 | Very low | 24.6 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -76.2 | 130.8 | 178.9 | 31 | -30.8 | 0 | 0 | 0 | 109.9 | ||||
| 289 | I | 27 | Very low | 24.7 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -121.4 | 92.5 | 169.2 | -61 | 179.7 | 0 | 0 | 0 | 108.7 | A291 | I289-A291 HydrophobicContact CG2-CB 3.78Å; I289-A291 PolarHBondContact O-N 2.64Å | ||
| 290 | D | 22.8 | Very low | 24.8 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -74.3 | 84.4 | 157 | -79.3 | -33.7 | 0 | 0 | 0 | 108.6 | ||||
| 291 | A | 25.6 | Very low | 24.9 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 58% | 0.579 | 80% | 0.8 | S | S | * | * | trans | -160.6 | 38 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | I289 | I289-A291 HydrophobicContact CG2-CB 3.78Å; I289-A291 PolarHBondContact O-N 2.64Å | ||
| 292 | L | 25.1 | Very low | 24.9 | Very low | 146 Ų | 146 | 139 Ų | 139 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -143.3 | 84.1 | 161.6 | -73.6 | 177.3 | 0 | 0 | 0 | 109.4 | F294 | L292-F294 PolarHBondContact O-N 3.24Š|
| 293 | G | 24.1 | Very low | 25.1 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | -57.2 | 106.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 294 | F | 27 | Very low | 25.3 | Very low | 202 Ų | 202 | 135.9 Ų | 135.9 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | trans | -139.8 | 95.7 | 148.6 | -74.4 | -75 | 0 | 0 | 0 | 107 | L292 E296 | L292-F294 PolarHBondContact O-N 3.24Å; F294-E296 PolarHBondContact O-N 2.96Å | ||
| 295 | S | 23.5 | Very low | 25.7 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -71.6 | 114.1 | 169.7 | 160.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 296 | E | 27.6 | Very low | 26.2 | Very low | 191 Ų | 191 | 133.2 Ų | 133.2 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -137.1 | 125.9 | 142.7 | -79 | -167.1 | 163.6 | 0 | 0 | 108.8 | F294 N298 | F294-E296 PolarHBondContact O-N 2.96Å; E296-N298 PolarHBondContact O-N 2.48Å | ||
| 297 | E | 25 | Very low | 26.9 | Very low | 185 Ų | 185 | 132.8 Ų | 132.8 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -64 | 124.2 | -175.4 | -61.8 | 177.1 | 153 | 0 | 0 | 111.3 | ||||
| 298 | N | 27.5 | Very low | 27.9 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | trans | -151.2 | 109.7 | 158.3 | -139 | -6 | 0 | 0 | 0 | 109.8 | E296 F300 | E296-N298 PolarHBondContact O-N 2.48Å; N298-F300 PolarHBondContact O-N 2.89Å | ||
| 299 | P | 26.1 | Very low | 28.9 | Very low | 111 Ų | 111 | 124 Ų | 124 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | trans | -94.8 | 64.2 | -171.4 | 36.4 | -32.9 | 0 | 0 | 0 | 111.6 | ||||
| 300 | F | 25.7 | Very low | 29.5 | Very low | 203 Ų | 203 | 119.8 Ų | 119.8 | 89% | 0.89 | 69% | 0.69 | S | S | * | * | trans | -162.4 | 93.3 | 165 | -87.6 | -74.5 | 0 | 0 | 0 | 111.3 | N298 | N298-F300 PolarHBondContact O-N 2.89Š| ||
| 301 | A | 27.5 | Very low | 30.4 | Very low | 107 Ų | 107 | 119.8 Ų | 119.8 | 88% | 0.884 | 68% | 0.684 | S | S | * | * | trans | 178 | 130.9 | 143.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 302 | G | 25.1 | Very low | 31.3 | Very low | 73 Ų | 73 | 118 Ų | 118 | 75% | 0.753 | 67% | 0.666 | S | S | * | * | trans | -81.2 | 169.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 303 | E | 27.1 | Very low | 32.2 | Very low | 189 Ų | 189 | 116.2 Ų | 116.2 | 88% | 0.883 | 66% | 0.657 | S | S | * | * | trans | 65.3 | 100.7 | 178.5 | -70 | -177.4 | 167.5 | 0 | 0 | 116.5 | I305 | E303-I305 PolarHBondContact O-N 3.34Š| ||
| 304 | T | 27.5 | Very low | 33.2 | Very low | 146 Ų | 146 | 115.4 Ų | 115.4 | 90% | 0.896 | 63% | 0.633 | S | S | * | * | trans | -64.8 | 104 | 176.1 | 20.1 | 0 | 0 | 0 | 0 | 111.3 | A306 | T304-A306 PolarHBondContact O-N 3.29Š| ||
| 305 | I | 33.4 | Very low | 33.9 | Very low | 105 Ų | 105 | 113.7 Ų | 113.7 | 54% | 0.538 | 62% | 0.62 | S | S | . | * | trans | -66.3 | 116 | 162.6 | -60.1 | 173.1 | 0 | 0 | 0 | 107.3 | E303 H307 | E303-I305 PolarHBondContact O-N 3.34Å; I305-H307 PolarHBondContact O-N 3.05Å | ||
| 306 | A | 32.4 | Very low | 34.6 | Very low | 52 Ų | 52 | 112 Ų | 112 | 43% | 0.43 | 61% | 0.609 | S | S | . | * | trans | -51.5 | 131.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | T304 | T304-A306 PolarHBondContact O-N 3.29Š| ||
| 307 | H | 39 | Very low | 35 | Very low | 88 Ų | 88 | 106.9 Ų | 106.9 | 41% | 0.407 | 59% | 0.591 | S | S | . | * | trans | -54.9 | 130.9 | -175.3 | -170.7 | -86.9 | 0 | 0 | 0 | 109.3 | I305 L309 S310 | I305-H307 PolarHBondContact O-N 3.05Å; H307-L309 VanDerWaalsContact CE1-CG 3.5Å; H307-L309 WeakPolarHBondContact CE1-CG 3.42Å; H307-L309 WeakPolarHBondContact ND1-CB 3.39Å; H307-L309 PolarHBondContact ND1-N 2.99Å; H307-L309 VanDerWaalsContact ND1-N 3.19Å; H307-L309 PolarHBondContact O-N 3.41Å; H307-S310 WeakPolarHBondContact O-CB 3.43Å; H307-S310 PolarHBondContact O-N 3.2Å; H307-S310 PolarHBondContact O-OG 2.88Å | ||
| 308 | P | 45.3 | Very low | 35.3 | Very low | 6 Ų | 6 | 105.7 Ų | 105.7 | 4% | 0.039 | 59% | 0.585 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -14.2 | -176 | 16.1 | -27.9 | 0 | 0 | 0 | 115.2 | F580 I583 L584 | P308-F580 HydrophobicContact CG-CD2 4.29Å; P308-F580 HydrophobicContact CG-CE1 4.43Å; P308-F580 HydrophobicContact CG-CE2 3.33Å; P308-F580 HydrophobicContact CG-CZ 3.42Å; P308-F580 VanDerWaalsContact CG-CZ 3.42Å; P308-I583 HydrophobicContact CB-CG2 4.22Å; P308-L584 HydrophobicContact CB-CD2 3.55Å; P308-L584 HydrophobicContact CB-CG 4.06Å; P308-L584 HydrophobicContact CG-CD2 3.69Å; P308-L584 HydrophobicContact CG-CG 4.07Å |
| 309 | L | 42.6 | Very low | 35.4 | Very low | 82 Ų | 82 | 104.6 Ų | 104.6 | 43% | 0.429 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.5 | 3.4 | 171.8 | -52.2 | 179.5 | 0 | 0 | 0 | 113.7 | H307 H620 | H307-L309 VanDerWaalsContact CE1-CG 3.5Å; H307-L309 WeakPolarHBondContact CE1-CG 3.42Å; H307-L309 WeakPolarHBondContact ND1-CB 3.39Å; H307-L309 PolarHBondContact ND1-N 2.99Å; H307-L309 VanDerWaalsContact ND1-N 3.19Å; H307-L309 PolarHBondContact O-N 3.41Å; L309-H620 HydrophobicContact CD2-CB 4.16Å; L309-H620 WeakPolarHBondContact CD2-CD2 3.49Å |
| 310 | S | 40.2 | Very low | 35.5 | Very low | 50 Ų | 50 | 107.4 Ų | 107.4 | 35% | 0.35 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -83.9 | 151.2 | 173.4 | 74.4 | 0 | 0 | 0 | 0 | 110.8 | H307 V312 | H307-S310 WeakPolarHBondContact O-CB 3.43Å; H307-S310 PolarHBondContact O-N 3.2Å; H307-S310 PolarHBondContact O-OG 2.88Å; S310-V312 PolarHBondContact O-N 3.4Å |
| 311 | E | 41.8 | Very low | 35.6 | Very low | 169 Ų | 169 | 106.5 Ų | 106.5 | 79% | 0.79 | 58% | 0.583 | S | S | * | * | trans | -41.7 | 118.5 | -166.3 | -58.4 | -178.2 | 164.4 | 0 | 0 | 114.9 | ||||
| 312 | V | 43.3 | Very low | 35.5 | Very low | 33 Ų | 33 | 105.9 Ų | 105.9 | 20% | 0.2 | 58% | 0.578 | C | S | . | * | trans | -98.7 | 101.7 | 167.5 | -169.8 | 0 | 0 | 0 | 0 | 107.4 | S310 F314 | S310-V312 PolarHBondContact O-N 3.4Å; V312-F314 HydrophobicContact CB-CE2 3.93Å; V312-F314 HydrophobicContact CB-CZ 4Å; V312-F314 HydrophobicContact CG1-CD1 4.12Å; V312-F314 HydrophobicContact CG1-CD2 4.19Å; V312-F314 HydrophobicContact CG1-CE1 3.58Å; V312-F314 HydrophobicContact CG1-CE2 3.67Å; V312-F314 HydrophobicContact CG1-CG 4.4Å; V312-F314 HydrophobicContact CG1-CZ 3.34Å; V312-F314 PolarHBondContact O-N 3.24Å | ||
| 313 | N | 45 | Very low | 35.8 | Very low | 107 Ų | 107 | 107.3 Ų | 107.3 | 57% | 0.572 | 57% | 0.572 | S | S | * | * | trans | -89.3 | 95.1 | 177.3 | -165.4 | -2.3 | 0 | 0 | 0 | 110.2 | R315 S316 | N313-R315 PolarHBondContact O-N 3.32Å; N313-R315 PolarHBondContact OD1-N 3.05Å; N313-S316 PolarHBondContact O-OG 3.38Å | ||
| 314 | F | 44.9 | Very low | 35.9 | Very low | 58 Ų | 58 | 104.5 Ų | 104.5 | 25% | 0.254 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -69 | -18.5 | -178.5 | -67 | -74.4 | 0 | 0 | 0 | 113.8 | V312 S316 T624 Q627 L628 | V312-F314 HydrophobicContact CB-CE2 3.93Å; V312-F314 HydrophobicContact CB-CZ 4Å; V312-F314 HydrophobicContact CG1-CD1 4.12Å; V312-F314 HydrophobicContact CG1-CD2 4.19Å; V312-F314 HydrophobicContact CG1-CE1 3.58Å; V312-F314 HydrophobicContact CG1-CE2 3.67Å; V312-F314 HydrophobicContact CG1-CG 4.4Å; V312-F314 HydrophobicContact CG1-CZ 3.34Å; V312-F314 PolarHBondContact O-N 3.24Å; F314-S316 VanDerWaalsContact C-N 3.26Å; F314-S316 PolarHBondContact O-N 2.86Å; F314-T624 HydrophobicContact CE2-CG2 4.26Å; F314-T624 HydrophobicContact CZ-CG2 3.91Å; F314-Q627 HydrophobicContact CD2-CB 4.04Å; F314-Q627 HydrophobicContact CD2-CG 4.44Å; F314-Q627 HydrophobicContact CE2-CB 4.12Å; F314-L628 HydrophobicContact CE1-CD2 4.35Å |
| 315 | R | 40.8 | Very low | 36 | Very low | 165 Ų | 165 | 101.8 Ų | 101.8 | 62% | 0.623 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -69.1 | -22 | -179.5 | -75.8 | -173.3 | 168.4 | -177.3 | -4.2 | 113.9 | N313 V317 E318 | N313-R315 PolarHBondContact O-N 3.32Å; N313-R315 PolarHBondContact OD1-N 3.05Å; R315-V317 PolarHBondContact O-N 2.92Å; R315-V317 VanDerWaalsContact O-N 3.16Å; R315-E318 PolarHBondContact O-N 2.85Å |
| 316 | S | 38.1 | Very low | 35.7 | Very low | 78 Ų | 78 | 103.9 Ų | 103.9 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -70.1 | -8.1 | -177.5 | -11.5 | 0 | 0 | 0 | 0 | 114.4 | N313 F314 | N313-S316 PolarHBondContact O-OG 3.38Å; F314-S316 VanDerWaalsContact C-N 3.26Å; F314-S316 PolarHBondContact O-N 2.86Å |
| 317 | V | 37.4 | Very low | 35.6 | Very low | 84 Ų | 84 | 107.7 Ų | 107.7 | 51% | 0.509 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -103.6 | -2 | -176.1 | -170.7 | 0 | 0 | 0 | 0 | 112.1 | R315 T319 | R315-V317 PolarHBondContact O-N 2.92Å; R315-V317 VanDerWaalsContact O-N 3.16Å; V317-T319 PolarHBondContact O-N 3.47Å; V317-T319 VanDerWaalsContact O-N 3.16Å |
| 318 | E | 30.1 | Very low | 35 | Very low | 159 Ų | 159 | 111.7 Ų | 111.7 | 74% | 0.743 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -2.1 | -179 | -68.7 | -174.4 | 162.9 | 0 | 0 | 114.5 | R315 | R315-E318 PolarHBondContact O-N 2.85Š|
| 319 | T | 30.2 | Very low | 34.1 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 81% | 0.81 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -0.2 | 177.7 | 35.4 | 0 | 0 | 0 | 0 | 115.5 | V317 K321 | V317-T319 PolarHBondContact O-N 3.47Å; V317-T319 VanDerWaalsContact O-N 3.16Å; T319-K321 PolarHBondContact O-N 2.81Å |
| 320 | E | 28.4 | Very low | 33.4 | Very low | 169 Ų | 169 | 124.7 Ų | 124.7 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -91.5 | 103.5 | 165.2 | -75.5 | -171.9 | 169 | 0 | 0 | 109.9 | A322 | E320-A322 PolarHBondContact O-N 3.35Š|
| 321 | K | 26.8 | Very low | 32.9 | Very low | 185 Ų | 185 | 125.4 Ų | 125.4 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | trans | -41.1 | 131.7 | 178 | -75.8 | 173.6 | 176.4 | 170.6 | 0 | 111.9 | T319 T323 | T319-K321 PolarHBondContact O-N 2.81Å; K321-T323 PolarHBondContact O-N 2.89Å; K321-T323 PolarHBondContact O-OG1 3.48Å | ||
| 322 | A | 27 | Very low | 32.3 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -25.4 | 89.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E320 | E320-A322 PolarHBondContact O-N 3.35Š|
| 323 | T | 31.4 | Very low | 31.4 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 64% | 0.638 | 70% | 0.699 | S | S | * | * | trans | -114.8 | -4.2 | 163.1 | 43.6 | 0 | 0 | 0 | 0 | 111.5 | K321 A325 Q326 | K321-T323 PolarHBondContact O-N 2.89Å; K321-T323 PolarHBondContact O-OG1 3.48Å; T323-A325 PolarHBondContact O-N 3.42Å; T323-A325 VanDerWaalsContact O-N 3.09Å; T323-Q326 PolarHBondContact O-N 3.08Å | ||
| 324 | D | 28.8 | Very low | 30.6 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 0.2 | 178.4 | -93.1 | -11.4 | 0 | 0 | 0 | 114.6 | R595 | D324-R595 IonicContact OD2-NH1 2.74Š|
| 325 | A | 28.7 | Very low | 30.1 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 4.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T323 | T323-A325 PolarHBondContact O-N 3.42Å; T323-A325 VanDerWaalsContact O-N 3.09Å |
| 326 | Q | 28 | Very low | 30.4 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -121 | 5.2 | -172.2 | -103 | 160.8 | -30 | 0 | 0 | 116.1 | T323 | T323-Q326 PolarHBondContact O-N 3.08Š|
| 327 | L | 30 | Very low | 31.3 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -101.9 | -6.1 | 176.2 | -94.4 | 143.8 | 0 | 0 | 0 | 115.2 | M329 | L327-M329 PolarHBondContact O-N 3.48Š|
| 328 | D | 27.2 | Very low | 33.1 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 92% | 0.92 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 13.2 | 172.7 | -84.6 | -19.7 | 0 | 0 | 0 | 113.7 | ||
| 329 | M | 24.9 | Very low | 35.4 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 80% | 0.798 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.3 | 40.9 | -174.1 | -153.8 | 178.6 | 66 | 0 | 0 | 113.4 | L327 | L327-M329 PolarHBondContact O-N 3.48Š|
| 330 | Y | 29.1 | Very low | 37.8 | Very low | 198 Ų | 198 | 121.7 Ų | 121.7 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -100.2 | 103.6 | 153.1 | -77.4 | -76.6 | 0 | 0 | 0 | 108.6 | L332 | Y330-L332 PolarHBondContact O-N 3.35Š|
| 331 | G | 29.1 | Very low | 40.4 | Very low | 65 Ų | 65 | 119.3 Ų | 119.3 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | trans | -54.9 | 102.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N333 | G331-N333 PolarHBondContact O-N 3.38Š| ||
| 332 | L | 28.3 | Very low | 43.1 | Very low | 152 Ų | 152 | 110.8 Ų | 110.8 | 80% | 0.796 | 62% | 0.62 | S | S | * | * | trans | -65.5 | 36.2 | 147.9 | -93.5 | 149.9 | 0 | 0 | 0 | 111.4 | Y330 K334 | Y330-L332 PolarHBondContact O-N 3.35Å; L332-K334 PolarHBondContact O-N 3.18Å; L332-K334 VanDerWaalsContact O-N 3.17Å | ||
| 333 | N | 25 | Very low | 46 | Very low | 157 Ų | 157 | 106.4 Ų | 106.4 | 84% | 0.84 | 58% | 0.584 | S | S | * | * | trans | -91 | 46.2 | -178.3 | -79.8 | -16.4 | 0 | 0 | 0 | 112.3 | G331 | G331-N333 PolarHBondContact O-N 3.38Š| ||
| 334 | K | 28 | Very low | 48.6 | Very low | 186 Ų | 186 | 102.4 Ų | 102.4 | 81% | 0.809 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -145.9 | 114.5 | 149.6 | -94.5 | 179.7 | -179.8 | 173.3 | 0 | 104.9 | L332 P336 | L332-K334 PolarHBondContact O-N 3.18Å; L332-K334 VanDerWaalsContact O-N 3.17Å; K334-P336 VanDerWaalsContact O-CD 3.25Å; K334-P336 WeakPolarHBondContact O-CD 3.27Å |
| 335 | A | 33.9 | Very low | 51.3 | Low | 98 Ų | 98 | 103.3 Ų | 103.3 | 81% | 0.81 | 56% | 0.559 | S | S | * | * | trans | -49.7 | 113.5 | 170 | 0 | 0 | 0 | 0 | 0 | 107.4 | A337 | A335-A337 PolarHBondContact O-N 2.76Š| ||
| 336 | P | 48.3 | Very low | 54.2 | Low | 107 Ų | 107 | 101.8 Ų | 101.8 | 70% | 0.695 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -62 | 127.3 | -172.5 | 21.7 | -30 | 0 | 0 | 0 | 107.7 | K334 R338 | K334-P336 VanDerWaalsContact O-CD 3.25Å; K334-P336 WeakPolarHBondContact O-CD 3.27Å; P336-R338 PolarHBondContact O-N 3.5Å |
| 337 | A | 57.1 | Low | 57.2 | Low | 57 Ų | 57 | 94.8 Ų | 94.8 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 131.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | A335 P339 | A335-A337 PolarHBondContact O-N 2.76Å; A337-P339 VanDerWaalsContact O-N 3.14Å |
| 338 | R | 74.7 | Confident | 60 | Low | 105 Ų | 105 | 88.8 Ų | 88.8 | 40% | 0.396 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -47.9 | 121.2 | -176.5 | -175.8 | 177 | 175.5 | -158 | -9.9 | 110.3 | V250 D252 P336 R341 | V250-R338 PolarHBondContact O-NH2 3.29Å; D252-R338 VanDerWaalsContact N-NH2 3.14Å; D252-R338 IonicContact OD2-NE 3.98Å; P336-R338 PolarHBondContact O-N 3.5Å; R338-R341 WeakPolarHBondContact O-CB 3.39Å; R338-R341 PolarHBondContact O-N 3.42Å |
| 339 | P | 79.2 | Confident | 63 | Low | 40 Ų | 40 | 83 Ų | 83 | 26% | 0.26 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 139.9 | 178 | -20.9 | 30.5 | 0 | 0 | 0 | 110.9 | L40 W254 A337 | L40-P339 HydrophobicContact CD1-CB 4.27Å; L40-P339 HydrophobicContact CD2-CB 3.96Å; L40-P339 HydrophobicContact CG-CB 4.11Å; W254-P339 HydrophobicContact CB-CB 3.97Å; W254-P339 HydrophobicContact CB-CG 4.43Å; W254-P339 HydrophobicContact CG-CB 4.37Å; A337-P339 VanDerWaalsContact O-N 3.14Å |
| 340 | G | 80.5 | Confident | 66.2 | Low | 6 Ų | 6 | 79.1 Ų | 79.1 | 6% | 0.062 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 13.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | N38 C342 L343 | N38-G340 PolarHBondContact O-N 2.56Å; G340-C342 VanDerWaalsContact C-N 3.25Å; G340-C342 PolarHBondContact O-N 3.34Å; G340-C342 VanDerWaalsContact O-N 3.11Å; G340-L343 WeakPolarHBondContact O-CB 3.39Å; G340-L343 PolarHBondContact O-N 2.93Å |
| 341 | R | 81.6 | Confident | 69.3 | Low | 119 Ų | 119 | 69.7 Ų | 69.7 | 45% | 0.449 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.3 | -173.7 | 66.5 | 178.6 | -177.6 | 173.1 | 0.1 | 117.3 | R338 | R338-R341 WeakPolarHBondContact O-CB 3.39Å; R338-R341 PolarHBondContact O-N 3.42Å |
| 342 | C | 84.7 | Confident | 72.2 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 3% | 0.034 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -9.7 | 177 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | N38 N240 S241 L242 G340 | N38-C342 WeakPolarHBondContact OD1-CA 3.14Å; N38-C342 WeakPolarHBondContact OD1-CB 3.38Å; N38-C342 PolarHBondContact OD1-N 2.86Å; N240-C342 VanDerWaalsContact CB-O 3.31Å; N240-C342 WeakPolarHBondContact CB-O 3.29Å; N240-C342 PolarHBondContact ND2-O 3.32Å; S241-C342 PolarHBondContact O-SG 3.29Å; S241-C342 VanDerWaalsContact O-SG 3.35Å; L242-C342 VanDerWaalsContact O-CB 3.27Å; L242-C342 WeakPolarHBondContact O-CB 3.35Å; G340-C342 VanDerWaalsContact C-N 3.25Å; G340-C342 PolarHBondContact O-N 3.34Å; G340-C342 VanDerWaalsContact O-N 3.11Å |
| 343 | L | 86.9 | Confident | 75.2 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | trans | -71.4 | 144.5 | 179.5 | -61.5 | 173.3 | 0 | 0 | 0 | 110.5 | N38 L45 I239 V250 W254 G340 D347 | N38-L343 PolarHBondContact OD1-N 3.11Å; N38-L343 VanDerWaalsContact OD1-N 3.17Å; L45-L343 HydrophobicContact CD1-CD1 4.34Å; L45-L343 HydrophobicContact CD1-CD2 4.43Å; I239-L343 HydrophobicContact CG2-CD2 3.67Å; V250-L343 HydrophobicContact CG2-CB 4.11Å; V250-L343 WeakPolarHBondContact CG2-O 2.88Å; W254-L343 HydrophobicContact CH2-CD1 3.32Å; W254-L343 HydrophobicContact CZ2-CD1 4.01Å; W254-L343 HydrophobicContact CZ3-CD1 4.03Å; G340-L343 WeakPolarHBondContact O-CB 3.39Å; G340-L343 PolarHBondContact O-N 2.93Å; L343-D347 HydrophobicContact CB-CB 4.28Å; L343-D347 HydrophobicContact CD2-CB 3.78Å | ||
| 344 | T | 86.7 | Confident | 78.5 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | trans | -105.9 | 166.6 | 169.9 | 62.8 | 0 | 0 | 0 | 0 | 109.5 | A244 S346 D347 V348 | A244-T344 HydrophobicContact CB-CG2 4.27Å; T344-S346 PolarHBondContact O-N 3.19Å; T344-S346 PolarHBondContact OG1-N 3.21Å; T344-S346 PolarHBondContact OG1-OG 2.89Å; T344-D347 WeakPolarHBondContact CB-OD2 3.25Å; T344-D347 PolarHBondContact N-OD2 3.13Å; T344-D347 WeakPolarHBondContact O-CB 3.48Å; T344-D347 PolarHBondContact O-N 3.09Å; T344-D347 PolarHBondContact OG1-N 2.89Å; T344-D347 PolarHBondContact OG1-OD2 3.42Å; T344-V348 PolarHBondContact O-N 2.93Å; T344-V348 VanDerWaalsContact O-N 3.14Å | ||
| 345 | E | 86 | Confident | 81.5 | Confident | 147 Ų | 147 | 50.6 Ų | 50.6 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.1 | -32.2 | 173 | -148.6 | 172.7 | -152.4 | 0 | 0 | 111.8 | V348 A349 | E345-V348 PolarHBondContact O-N 2.93Å; E345-A349 PolarHBondContact O-N 3.08Å |
| 346 | S | 88.9 | Confident | 84.2 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 41% | 0.406 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.2 | -34.2 | 173.9 | 84.4 | 0 | 0 | 0 | 0 | 113.3 | T344 R350 | T344-S346 PolarHBondContact O-N 3.19Å; T344-S346 PolarHBondContact OG1-N 3.21Å; T344-S346 PolarHBondContact OG1-OG 2.89Å; S346-R350 WeakPolarHBondContact O-CG 3.01Å; S346-R350 PolarHBondContact O-N 2.84Å; S346-R350 PolarHBondContact O-NH1 3.02Å; S346-R350 PolarHBondContact OG-NH1 3.28Å; S346-R350 PolarHBondContact OG-NH2 3.26Å |
| 347 | D | 90.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.5 | -43.7 | 174.6 | -65 | -65.9 | 0 | 0 | 0 | 110.3 | I239 N240 L343 T344 A349 R350 L351 | I239-D347 WeakPolarHBondContact CA-OD1 3.43Å; N240-D347 WeakPolarHBondContact CB-OD2 3.48Å; N240-D347 PolarHBondContact N-OD1 2.87Å; L343-D347 HydrophobicContact CB-CB 4.28Å; L343-D347 HydrophobicContact CD2-CB 3.78Å; T344-D347 WeakPolarHBondContact CB-OD2 3.25Å; T344-D347 PolarHBondContact N-OD2 3.13Å; T344-D347 WeakPolarHBondContact O-CB 3.48Å; T344-D347 PolarHBondContact O-N 3.09Å; T344-D347 PolarHBondContact OG1-N 2.89Å; T344-D347 PolarHBondContact OG1-OD2 3.42Å; D347-A349 VanDerWaalsContact C-N 3.33Å; D347-A349 PolarHBondContact O-N 3.14Å; D347-R350 VanDerWaalsContact CG-NH2 3.25Å; D347-R350 PolarHBondContact O-N 2.64Å; D347-R350 VanDerWaalsContact O-N 3.17Å; D347-R350 IonicContact OD1-CZ 2.61Å; D347-R350 IonicContact OD1-NE 2.64Å; D347-R350 IonicContact OD1-NH2 3.18Å; D347-R350 PolarHBondContact OD1-NH2 3.17Å; D347-R350 IonicContact OD2-NH2 3.61Å; D347-L351 WeakPolarHBondContact O-CG 3.31Å; D347-L351 PolarHBondContact O-N 3.32Å |
| 348 | V | 89.8 | Confident | 87.9 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 176 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | F49 V250 Y253 T344 E345 R350 L351 K352 | F49-V348 HydrophobicContact CE1-CG1 3.68Å; F49-V348 HydrophobicContact CZ-CB 4.41Å; F49-V348 HydrophobicContact CZ-CG1 3.73Å; F49-V348 HydrophobicContact CZ-CG2 4.13Å; V250-V348 HydrophobicContact CG1-CB 4.4Å; V250-V348 HydrophobicContact CG1-CG2 3.66Å; Y253-V348 HydrophobicContact CE2-CG1 4.28Å; Y253-V348 HydrophobicContact CE2-CG2 4.22Å; T344-V348 PolarHBondContact O-N 2.93Å; T344-V348 VanDerWaalsContact O-N 3.14Å; E345-V348 PolarHBondContact O-N 2.93Å; V348-R350 PolarHBondContact O-N 3.34Å; V348-L351 PolarHBondContact O-N 2.91Å; V348-K352 PolarHBondContact O-N 3Å |
| 349 | A | 90.3 | Very high | 88.6 | Confident | 52 Ų | 52 | 36.9 Ų | 36.9 | 43% | 0.43 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.2 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E345 D347 L351 K352 V353 | E345-A349 PolarHBondContact O-N 3.08Å; D347-A349 VanDerWaalsContact C-N 3.33Å; D347-A349 PolarHBondContact O-N 3.14Å; A349-L351 VanDerWaalsContact C-N 3.33Å; A349-L351 PolarHBondContact O-N 3.25Å; A349-K352 PolarHBondContact O-N 2.82Å; A349-V353 VanDerWaalsContact O-CG2 3.29Å; A349-V353 WeakPolarHBondContact O-CG2 3.29Å; A349-V353 PolarHBondContact O-N 3.17Å |
| 350 | R | 92.7 | Very high | 89.1 | Confident | 79 Ų | 79 | 37.4 Ų | 37.4 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.2 | -38 | 176.3 | -75.7 | -173.7 | -69.3 | -83.5 | 5.8 | 112.7 | L237 R238 S346 D347 V348 V353 F354 | L237-R350 HydrophobicContact CD1-CB 4.07Å; R238-R350 PolarHBondContact O-NE 3.26Å; S346-R350 WeakPolarHBondContact O-CG 3.01Å; S346-R350 PolarHBondContact O-N 2.84Å; S346-R350 PolarHBondContact O-NH1 3.02Å; S346-R350 PolarHBondContact OG-NH1 3.28Å; S346-R350 PolarHBondContact OG-NH2 3.26Å; D347-R350 VanDerWaalsContact CG-NH2 3.25Å; D347-R350 PolarHBondContact O-N 2.64Å; D347-R350 VanDerWaalsContact O-N 3.17Å; D347-R350 IonicContact OD1-CZ 2.61Å; D347-R350 IonicContact OD1-NE 2.64Å; D347-R350 IonicContact OD1-NH2 3.18Å; D347-R350 PolarHBondContact OD1-NH2 3.17Å; D347-R350 IonicContact OD2-NH2 3.61Å; V348-R350 PolarHBondContact O-N 3.34Å; R350-V353 PolarHBondContact O-N 3.36Å; R350-F354 WeakPolarHBondContact O-CB 3.19Å; R350-F354 PolarHBondContact O-N 3.47Å |
| 351 | L | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 175.3 | -70.2 | 167.4 | 0 | 0 | 0 | 112.2 | L45 L46 F49 L237 D347 V348 A349 V353 F354 V355 | L45-L351 HydrophobicContact CD2-CD1 3.39Å; L45-L351 HydrophobicContact CD2-CD2 3.25Å; L45-L351 HydrophobicContact CD2-CG 3.92Å; L45-L351 HydrophobicContact CG-CD1 4.17Å; L46-L351 HydrophobicContact CD2-CD2 4.18Å; F49-L351 HydrophobicContact CD2-CB 3.99Å; F49-L351 HydrophobicContact CD2-CD1 4.21Å; F49-L351 HydrophobicContact CE2-CB 4.14Å; F49-L351 HydrophobicContact CE2-CD1 3.69Å; L237-L351 HydrophobicContact CD1-CD2 3.97Å; L237-L351 HydrophobicContact CD2-CD2 3.68Å; L237-L351 HydrophobicContact CG-CD2 4.4Å; D347-L351 WeakPolarHBondContact O-CG 3.31Å; D347-L351 PolarHBondContact O-N 3.32Å; V348-L351 PolarHBondContact O-N 2.91Å; A349-L351 VanDerWaalsContact C-N 3.33Å; A349-L351 PolarHBondContact O-N 3.25Å; L351-V353 VanDerWaalsContact C-N 3.34Å; L351-V353 PolarHBondContact O-N 3.19Å; L351-F354 WeakPolarHBondContact O-CB 3.23Å; L351-F354 PolarHBondContact O-N 3.29Å; L351-V355 WeakPolarHBondContact O-CG2 3.42Å; L351-V355 PolarHBondContact O-N 3.47Å |
| 352 | K | 90.7 | Very high | 89.9 | Confident | 84 Ų | 84 | 37.7 Ų | 37.7 | 37% | 0.365 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 175.1 | -71.7 | -170.3 | 174.4 | -157.5 | 0 | 111.5 | F49 E53 V348 A349 V355 N356 | F49-K352 HydrophobicContact CD1-CD 4.49Å; F49-K352 HydrophobicContact CD1-CG 3.81Å; F49-K352 HydrophobicContact CE1-CG 4.34Å; F49-K352 HydrophobicContact CG-CG 4.37Å; E53-K352 IonicContact OE2-NZ 3.84Å; E53-K352 PolarHBondContact OE2-NZ 3.3Å; V348-K352 PolarHBondContact O-N 3Å; A349-K352 PolarHBondContact O-N 2.82Å; K352-V355 PolarHBondContact O-N 3.11Å; K352-N356 WeakPolarHBondContact O-CB 3.32Å; K352-N356 PolarHBondContact O-N 3.45Å |
| 353 | V | 91.7 | Very high | 90.2 | Very high | 75 Ų | 75 | 37.4 Ų | 37.4 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | A349 R350 L351 N356 E357 | A349-V353 VanDerWaalsContact O-CG2 3.29Å; A349-V353 WeakPolarHBondContact O-CG2 3.29Å; A349-V353 PolarHBondContact O-N 3.17Å; R350-V353 PolarHBondContact O-N 3.36Å; L351-V353 VanDerWaalsContact C-N 3.34Å; L351-V353 PolarHBondContact O-N 3.19Å; V353-N356 PolarHBondContact O-N 2.93Å; V353-E357 HydrophobicContact CG1-CG 4.25Å; V353-E357 WeakPolarHBondContact O-CB 3.36Å; V353-E357 WeakPolarHBondContact O-CG 3.4Å; V353-E357 PolarHBondContact O-N 2.93Å |
| 354 | F | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.9 | -52.4 | 176.5 | 160.2 | -111.6 | 0 | 0 | 0 | 111.9 | F42 L46 L151 Y205 L207 H235 L237 R350 L351 N356 E357 F358 | F42-F354 HydrophobicContact CZ-CE1 4.23Å; L46-F354 HydrophobicContact CD1-CE1 4.05Å; L46-F354 HydrophobicContact CD2-CD1 3.89Å; L46-F354 HydrophobicContact CD2-CE1 3.82Å; L151-F354 HydrophobicContact CD1-CE2 4.49Å; L151-F354 HydrophobicContact CD1-CZ 4.14Å; L151-F354 HydrophobicContact CD2-CE1 4.42Å; L151-F354 HydrophobicContact CD2-CZ 3.8Å; Y205-F354 HydrophobicContact CE1-CE2 4.15Å; L207-F354 HydrophobicContact CD1-CD2 3.86Å; L207-F354 HydrophobicContact CD1-CE2 3.74Å; L207-F354 HydrophobicContact CD1-CZ 4.39Å; L207-F354 HydrophobicContact CD2-CE1 4.35Å; L207-F354 HydrophobicContact CD2-CE2 4.15Å; L207-F354 HydrophobicContact CD2-CZ 3.97Å; L207-F354 HydrophobicContact CG-CE2 4.43Å; H235-F354 HydrophobicContact CB-CD2 4.04Å; H235-F354 HydrophobicContact CB-CE2 4.36Å; H235-F354 AromaticContact CD2-CD2 3.54Å; H235-F354 AromaticContact CG-CD2 3.73Å; L237-F354 HydrophobicContact CD1-CB 4.37Å; R350-F354 WeakPolarHBondContact O-CB 3.19Å; R350-F354 PolarHBondContact O-N 3.47Å; L351-F354 WeakPolarHBondContact O-CB 3.23Å; L351-F354 PolarHBondContact O-N 3.29Å; F354-N356 VanDerWaalsContact C-N 3.26Å; F354-N356 PolarHBondContact O-N 2.93Å; F354-E357 PolarHBondContact O-N 3.46Å; F354-F358 HydrophobicContact CE2-CB 4.16Å; F354-F358 HydrophobicContact CZ-CB 4.43Å; F354-F358 VanDerWaalsContact O-CB 3.29Å; F354-F358 WeakPolarHBondContact O-CB 3.47Å; F354-F358 PolarHBondContact O-N 3.41Å |
| 355 | V | 92 | Very high | 90.6 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -38 | -178.3 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | L46 F49 L52 F77 L351 K352 C359 | L46-V355 HydrophobicContact CD2-CG2 4.06Å; F49-V355 HydrophobicContact CB-CG2 4.44Å; L52-V355 HydrophobicContact CD2-CG1 4.18Å; F77-V355 HydrophobicContact CE2-CG1 4.34Å; F77-V355 HydrophobicContact CE2-CG2 4.5Å; L351-V355 WeakPolarHBondContact O-CG2 3.42Å; L351-V355 PolarHBondContact O-N 3.47Å; K352-V355 PolarHBondContact O-N 3.11Å; V355-C359 PolarHBondContact O-N 2.9Å; V355-C359 PolarHBondContact O-SG 2.74Å |
| 356 | N | 90.2 | Very high | 90.9 | Very high | 39 Ų | 39 | 32.6 Ų | 32.6 | 21% | 0.209 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -49.2 | 175.6 | -170 | -46.5 | 0 | 0 | 0 | 112 | L52 K352 V353 F354 F358 C359 T360 | L52-N356 HydrophobicContact CD2-CB 4.05Å; K352-N356 WeakPolarHBondContact O-CB 3.32Å; K352-N356 PolarHBondContact O-N 3.45Å; V353-N356 PolarHBondContact O-N 2.93Å; F354-N356 VanDerWaalsContact C-N 3.26Å; F354-N356 PolarHBondContact O-N 2.93Å; N356-F358 PolarHBondContact O-N 3.45Å; N356-C359 PolarHBondContact O-N 3.38Å; N356-T360 PolarHBondContact O-N 3.14Å; N356-T360 PolarHBondContact O-OG1 2.94Å; N356-T360 WeakPolarHBondContact OD1-CG2 3.43Å |
| 357 | E | 90.1 | Very high | 91 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65 | -39.2 | 178.5 | -74.1 | -164 | 156.8 | 0 | 0 | 112.8 | H235 V353 F354 C359 T360 R361 | H235-E357 IonicContact CE1-OE2 3.33Å; H235-E357 PolarHBondContact CE1-OE2 3.07Å; H235-E357 IonicContact ND1-OE2 3.07Å; H235-E357 PolarHBondContact ND1-OE2 2.72Å; V353-E357 HydrophobicContact CG1-CG 4.25Å; V353-E357 WeakPolarHBondContact O-CB 3.36Å; V353-E357 WeakPolarHBondContact O-CG 3.4Å; V353-E357 PolarHBondContact O-N 2.93Å; F354-E357 PolarHBondContact O-N 3.46Å; E357-C359 PolarHBondContact O-N 3.47Å; E357-T360 WeakPolarHBondContact CA-OG1 3.36Å; E357-T360 PolarHBondContact O-N 3.35Å; E357-R361 WeakPolarHBondContact O-CB 3.35Å; E357-R361 PolarHBondContact O-N 3.31Å; E357-R361 IonicContact OE1-CZ 2.74Å; E357-R361 IonicContact OE1-NH1 3.26Å; E357-R361 PolarHBondContact OE1-NH1 3.01Å; E357-R361 IonicContact OE1-NH2 3.78Å; E357-R361 PolarHBondContact OE1-NH2 3.28Å; E357-R361 IonicContact OE2-CZ 2.94Å; E357-R361 IonicContact OE2-NH1 2.75Å; E357-R361 PolarHBondContact OE2-NH1 2.94Å |
| 358 | F | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -54.5 | -44.1 | 173.6 | 168.7 | -95.9 | 0 | 0 | 0 | 110.9 | V23 I75 F77 L151 F203 Y205 F354 N356 G362 L363 | V23-F358 HydrophobicContact CG1-CZ 3.87Å; V23-F358 HydrophobicContact CG2-CE1 4.23Å; V23-F358 HydrophobicContact CG2-CZ 4.01Å; I75-F358 HydrophobicContact CG2-CE1 4.49Å; F77-F358 HydrophobicContact CE1-CD1 4.4Å; F77-F358 AromaticContact CE1-CE1 3.96Å; F77-F358 HydrophobicContact CE1-CE1 3.96Å; F77-F358 HydrophobicContact CE1-CZ 4.13Å; F77-F358 HydrophobicContact CZ-CD1 4.05Å; F77-F358 AromaticContact CZ-CE1 3.95Å; F77-F358 HydrophobicContact CZ-CE1 3.95Å; L151-F358 HydrophobicContact CD1-CD2 4.46Å; L151-F358 HydrophobicContact CD1-CE2 4.39Å; F203-F358 HydrophobicContact CD1-CE2 4.5Å; F203-F358 HydrophobicContact CD1-CZ 4.36Å; F203-F358 HydrophobicContact CE1-CD2 4.33Å; F203-F358 HydrophobicContact CE1-CE1 4.5Å; F203-F358 AromaticContact CE1-CE2 3.53Å; F203-F358 HydrophobicContact CE1-CE2 3.53Å; F203-F358 AromaticContact CE1-CZ 3.62Å; F203-F358 HydrophobicContact CE1-CZ 3.62Å; F203-F358 HydrophobicContact CZ-CE2 4.22Å; Y205-F358 AromaticContact CD1-CD2 3.63Å; Y205-F358 HydrophobicContact CD1-CD2 3.63Å; Y205-F358 HydrophobicContact CD1-CE2 4.24Å; Y205-F358 AromaticContact CD2-CD2 3.98Å; Y205-F358 HydrophobicContact CD2-CD2 3.98Å; Y205-F358 HydrophobicContact CD2-CE2 4.39Å; Y205-F358 HydrophobicContact CE1-CB 4.46Å; Y205-F358 HydrophobicContact CE1-CD2 4.03Å; Y205-F358 HydrophobicContact CE2-CD2 4.34Å; Y205-F358 AromaticContact CG-CD2 3.58Å; Y205-F358 HydrophobicContact CG-CD2 3.58Å; Y205-F358 AromaticContact CG-CE2 3.88Å; Y205-F358 HydrophobicContact CG-CE2 3.88Å; F354-F358 HydrophobicContact CE2-CB 4.16Å; F354-F358 HydrophobicContact CZ-CB 4.43Å; F354-F358 VanDerWaalsContact O-CB 3.29Å; F354-F358 WeakPolarHBondContact O-CB 3.47Å; F354-F358 PolarHBondContact O-N 3.41Å; N356-F358 PolarHBondContact O-N 3.45Å; F358-G362 WeakPolarHBondContact O-CA 3.4Å; F358-G362 PolarHBondContact O-N 2.9Å; F358-L363 HydrophobicContact CE1-CB 4.42Å; F358-L363 HydrophobicContact CE1-CD2 4.15Å; F358-L363 PolarHBondContact O-N 2.75Å |
| 359 | C | 90.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -74.1 | -52.1 | 179.8 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | L52 F58 V355 N356 E357 L363 V364 | L52-C359 HydrophobicContact CD1-CB 4.05Å; F58-C359 HydrophobicContact CD1-CB 4.34Å; F58-C359 HydrophobicContact CE1-CB 3.38Å; F58-C359 HydrophobicContact CZ-CB 3.86Å; V355-C359 PolarHBondContact O-N 2.9Å; V355-C359 PolarHBondContact O-SG 2.74Å; N356-C359 PolarHBondContact O-N 3.38Å; E357-C359 PolarHBondContact O-N 3.47Å; C359-L363 PolarHBondContact O-N 2.76Å; C359-V364 WeakPolarHBondContact O-CB 3.41Å; C359-V364 WeakPolarHBondContact O-CG2 3.38Å; C359-V364 PolarHBondContact O-N 3.07Å |
| 360 | T | 88.4 | Confident | 91.3 | Very high | 52 Ų | 52 | 39.2 Ų | 39.2 | 32% | 0.319 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -70.2 | -44 | -173.1 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | F58 N356 E357 P365 | F58-T360 HydrophobicContact CD1-CG2 3.88Å; F58-T360 HydrophobicContact CE1-CG2 3.16Å; F58-T360 HydrophobicContact CE2-CG2 4.32Å; F58-T360 HydrophobicContact CZ-CG2 3.43Å; F58-T360 VanDerWaalsContact CZ-CG2 3.43Å; N356-T360 PolarHBondContact O-N 3.14Å; N356-T360 PolarHBondContact O-OG1 2.94Å; N356-T360 WeakPolarHBondContact OD1-CG2 3.43Å; E357-T360 WeakPolarHBondContact CA-OG1 3.36Å; E357-T360 PolarHBondContact O-N 3.35Å; T360-P365 WeakPolarHBondContact O-CD 3.3Å |
| 361 | R | 88.5 | Confident | 91.3 | Very high | 124 Ų | 124 | 35.4 Ų | 35.4 | 47% | 0.468 | 17% | 0.167 | S | C | . | . | I | π-helix | trans | -88.5 | -27.1 | -175.1 | -62.2 | -170.2 | 177.3 | 147.7 | 11.8 | 113.6 | E357 | E357-R361 WeakPolarHBondContact O-CB 3.35Å; E357-R361 PolarHBondContact O-N 3.31Å; E357-R361 IonicContact OE1-CZ 2.74Å; E357-R361 IonicContact OE1-NH1 3.26Å; E357-R361 PolarHBondContact OE1-NH1 3.01Å; E357-R361 IonicContact OE1-NH2 3.78Å; E357-R361 PolarHBondContact OE1-NH2 3.28Å; E357-R361 IonicContact OE2-CZ 2.94Å; E357-R361 IonicContact OE2-NH1 2.75Å; E357-R361 PolarHBondContact OE2-NH1 2.94Å |
| 362 | G | 90.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -111.5 | -69.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F203 F358 P365 Y366 | F203-G362 WeakPolarHBondContact CE2-O 3.42Å; F358-G362 WeakPolarHBondContact O-CA 3.4Å; F358-G362 PolarHBondContact O-N 2.9Å; G362-P365 WeakPolarHBondContact O-CD 3.49Å; G362-Y366 PolarHBondContact O-N 3.45Å |
| 363 | L | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -67 | -47.7 | -167.2 | -176.4 | 62.9 | 0 | 0 | 0 | 112.9 | I75 V148 F203 F358 C359 Y366 V367 F456 | I75-L363 HydrophobicContact CD1-CD2 3.67Å; V148-L363 HydrophobicContact CG1-CD1 4.01Å; F203-L363 HydrophobicContact CD1-CD1 3.75Å; F203-L363 HydrophobicContact CE1-CB 3.98Å; F203-L363 HydrophobicContact CE1-CD1 4.04Å; F203-L363 HydrophobicContact CG-CD1 4.37Å; F203-L363 HydrophobicContact CZ-CB 4.28Å; F358-L363 HydrophobicContact CE1-CB 4.42Å; F358-L363 HydrophobicContact CE1-CD2 4.15Å; F358-L363 PolarHBondContact O-N 2.75Å; C359-L363 PolarHBondContact O-N 2.76Å; L363-Y366 WeakPolarHBondContact O-CB 3.5Å; L363-Y366 PolarHBondContact O-N 2.87Å; L363-V367 HydrophobicContact CD1-CG2 4.26Å; L363-V367 HydrophobicContact CG-CG2 4.33Å; L363-V367 WeakPolarHBondContact O-CG2 3.38Å; L363-V367 PolarHBondContact O-N 2.74Å; L363-F456 HydrophobicContact CD2-CZ 4.18Å; L363-F456 HydrophobicContact CG-CZ 4.16Å |
| 364 | V | 90 | Very high | 91.3 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -49 | -177.9 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | F58 C359 Y366 V367 E368 F456 | F58-V364 HydrophobicContact CD1-CG2 4.28Å; C359-V364 WeakPolarHBondContact O-CB 3.41Å; C359-V364 WeakPolarHBondContact O-CG2 3.38Å; C359-V364 PolarHBondContact O-N 3.07Å; V364-Y366 PolarHBondContact O-N 2.96Å; V364-V367 WeakPolarHBondContact O-CB 3.41Å; V364-V367 PolarHBondContact O-N 3.03Å; V364-E368 HydrophobicContact CG1-CG 4.48Å; V364-E368 PolarHBondContact O-N 3.43Å; V364-F456 HydrophobicContact CG2-CE1 4.32Å |
| 365 | P | 90.9 | Very high | 91.3 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 27% | 0.273 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.6 | -28.3 | 174.8 | -26.3 | 35 | 0 | 0 | 0 | 114.5 | T360 G362 R369 | T360-P365 WeakPolarHBondContact O-CD 3.3Å; G362-P365 WeakPolarHBondContact O-CD 3.49Å; P365-R369 WeakPolarHBondContact O-CG 3.11Å; P365-R369 PolarHBondContact O-NE 3.41Å; P365-R369 VanDerWaalsContact O-NE 3.11Å |
| 366 | Y | 92 | Very high | 91.2 | Very high | 13 Ų | 13 | 44 Ų | 44 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.3 | -46.6 | 171.1 | 167.5 | -96.3 | 0 | 0 | 0 | 110.8 | V148 N201 F203 G362 L363 V364 R369 Q370 | V148-Y366 HydrophobicContact CG1-CD1 4.27Å; V148-Y366 HydrophobicContact CG1-CE1 3.77Å; N201-Y366 PolarHBondContact O-OH 2.89Å; N201-Y366 VanDerWaalsContact O-OH 3.06Å; F203-Y366 HydrophobicContact CB-CD1 3.72Å; F203-Y366 HydrophobicContact CB-CD2 4Å; F203-Y366 HydrophobicContact CB-CE1 3.84Å; F203-Y366 HydrophobicContact CB-CE2 4.1Å; F203-Y366 HydrophobicContact CB-CG 3.8Å; F203-Y366 HydrophobicContact CD2-CD2 4.41Å; F203-Y366 HydrophobicContact CD2-CG 4.05Å; F203-Y366 HydrophobicContact CG-CD1 4.3Å; F203-Y366 HydrophobicContact CG-CG 4.19Å; G362-Y366 PolarHBondContact O-N 3.45Å; L363-Y366 WeakPolarHBondContact O-CB 3.5Å; L363-Y366 PolarHBondContact O-N 2.87Å; V364-Y366 PolarHBondContact O-N 2.96Å; Y366-R369 PolarHBondContact O-N 3.4Å; Y366-Q370 HydrophobicContact CD1-CG 4.27Å; Y366-Q370 HydrophobicContact CD2-CG 4.34Å; Y366-Q370 HydrophobicContact CE1-CG 3.8Å; Y366-Q370 HydrophobicContact CE2-CG 3.88Å; Y366-Q370 WeakPolarHBondContact O-CG 3.38Å; Y366-Q370 PolarHBondContact O-N 2.95Å |
| 367 | V | 91.4 | Very high | 91 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | -178.9 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | L363 V364 R369 Q370 L371 L452 F456 | L363-V367 HydrophobicContact CD1-CG2 4.26Å; L363-V367 HydrophobicContact CG-CG2 4.33Å; L363-V367 WeakPolarHBondContact O-CG2 3.38Å; L363-V367 PolarHBondContact O-N 2.74Å; V364-V367 WeakPolarHBondContact O-CB 3.41Å; V364-V367 PolarHBondContact O-N 3.03Å; V367-R369 VanDerWaalsContact C-N 3.28Å; V367-R369 PolarHBondContact O-N 3.35Å; V367-Q370 PolarHBondContact O-N 3.12Å; V367-Q370 VanDerWaalsContact O-N 3.13Å; V367-L371 HydrophobicContact CG1-CD1 3.94Å; V367-L371 HydrophobicContact CG1-CG 4.21Å; V367-L371 WeakPolarHBondContact O-CB 3.28Å; V367-L371 WeakPolarHBondContact O-CG 3.41Å; V367-L371 PolarHBondContact O-N 2.73Å; V367-L452 HydrophobicContact CG1-CD1 4.1Å; V367-L452 HydrophobicContact CG1-CD2 4.24Å; V367-L452 HydrophobicContact CG1-CG 4.07Å; V367-L452 HydrophobicContact CG2-CD1 4.4Å; V367-F456 HydrophobicContact CB-CD2 4.46Å; V367-F456 HydrophobicContact CB-CE1 4.29Å; V367-F456 HydrophobicContact CB-CE2 4.14Å; V367-F456 HydrophobicContact CB-CZ 4.08Å; V367-F456 HydrophobicContact CG1-CD1 4.03Å; V367-F456 HydrophobicContact CG1-CD2 3.57Å; V367-F456 HydrophobicContact CG1-CE1 4.15Å; V367-F456 HydrophobicContact CG1-CE2 3.72Å; V367-F456 HydrophobicContact CG1-CG 3.75Å; V367-F456 HydrophobicContact CG1-CZ 4.03Å; V367-F456 HydrophobicContact CG2-CD2 4.16Å; V367-F456 HydrophobicContact CG2-CE1 3.89Å; V367-F456 HydrophobicContact CG2-CE2 3.39Å; V367-F456 HydrophobicContact CG2-CZ 3.25Å |
| 368 | E | 92.1 | Very high | 90.8 | Very high | 58 Ų | 58 | 42.7 Ų | 42.7 | 27% | 0.271 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -54.6 | -44.8 | 175 | -73.7 | -177.8 | 147.9 | 0 | 0 | 111.9 | Y60 K61 V364 L371 K372 | Y60-E368 WeakPolarHBondContact CA-OE1 3.44Å; Y60-E368 VanDerWaalsContact CB-OE1 3.29Å; Y60-E368 WeakPolarHBondContact CB-OE1 3.45Å; Y60-E368 HydrophobicContact CD2-CG 4Å; Y60-E368 HydrophobicContact CG-CG 4.28Å; K61-E368 PolarHBondContact N-OE1 3.46Å; V364-E368 HydrophobicContact CG1-CG 4.48Å; V364-E368 PolarHBondContact O-N 3.43Å; E368-L371 PolarHBondContact O-N 3.32Å; E368-K372 WeakPolarHBondContact O-CB 3.3Å; E368-K372 PolarHBondContact O-N 3.18Å |
| 369 | R | 92.4 | Very high | 90.4 | Very high | 169 Ų | 169 | 45.2 Ų | 45.2 | 64% | 0.638 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.9 | -41.7 | 177.7 | -73.5 | -176.8 | -71.2 | -175.4 | 1 | 112 | P365 Y366 V367 F373 | P365-R369 WeakPolarHBondContact O-CG 3.11Å; P365-R369 PolarHBondContact O-NE 3.41Å; P365-R369 VanDerWaalsContact O-NE 3.11Å; Y366-R369 PolarHBondContact O-N 3.4Å; V367-R369 VanDerWaalsContact C-N 3.28Å; V367-R369 PolarHBondContact O-N 3.35Å; R369-F373 WeakPolarHBondContact O-CB 3.36Å; R369-F373 PolarHBondContact O-N 3.46Å |
| 370 | Q | 92.9 | Very high | 89.7 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.2 | -43.1 | 177.8 | -65.6 | -56.2 | -32.5 | 0 | 0 | 112 | Y366 V367 K372 F373 F374 L452 | Y366-Q370 HydrophobicContact CD1-CG 4.27Å; Y366-Q370 HydrophobicContact CD2-CG 4.34Å; Y366-Q370 HydrophobicContact CE1-CG 3.8Å; Y366-Q370 HydrophobicContact CE2-CG 3.88Å; Y366-Q370 WeakPolarHBondContact O-CG 3.38Å; Y366-Q370 PolarHBondContact O-N 2.95Å; V367-Q370 PolarHBondContact O-N 3.12Å; V367-Q370 VanDerWaalsContact O-N 3.13Å; Q370-K372 VanDerWaalsContact C-N 3.33Å; Q370-K372 PolarHBondContact O-N 3.06Å; Q370-F373 PolarHBondContact O-N 3.42Å; Q370-F374 HydrophobicContact CB-CD2 4.33Å; Q370-F374 HydrophobicContact CB-CE2 4.04Å; Q370-F374 WeakPolarHBondContact O-CD2 3.33Å; Q370-F374 WeakPolarHBondContact O-CG 3.28Å; Q370-F374 PolarHBondContact O-N 2.6Å; Q370-L452 HydrophobicContact CB-CD2 3.63Å |
| 371 | L | 92.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 175.3 | -78.4 | 174.6 | 0 | 0 | 0 | 111.1 | Y60 P63 V367 E368 N375 L449 L452 A453 | Y60-L371 HydrophobicContact CD2-CD1 4.07Å; Y60-L371 HydrophobicContact CE2-CD1 3.27Å; P63-L371 HydrophobicContact CG-CB 4.34Å; V367-L371 HydrophobicContact CG1-CD1 3.94Å; V367-L371 HydrophobicContact CG1-CG 4.21Å; V367-L371 WeakPolarHBondContact O-CB 3.28Å; V367-L371 WeakPolarHBondContact O-CG 3.41Å; V367-L371 PolarHBondContact O-N 2.73Å; E368-L371 PolarHBondContact O-N 3.32Å; L371-N375 WeakPolarHBondContact O-CB 3.44Å; L371-N375 PolarHBondContact O-N 3.17Å; L371-L449 HydrophobicContact CD2-CD1 3.9Å; L371-L449 WeakPolarHBondContact O-CD1 3.26Å; L371-L452 HydrophobicContact CD2-CB 3.92Å; L371-L452 HydrophobicContact CD2-CD2 3.85Å; L371-L452 HydrophobicContact CD2-CG 3.84Å; L371-L452 HydrophobicContact CG-CD2 3.76Å; L371-L452 HydrophobicContact CG-CG 4.04Å; L371-A453 HydrophobicContact CD2-CB 4.23Å |
| 372 | K | 92.1 | Very high | 87.2 | Confident | 121 Ų | 121 | 54.2 Ų | 54.2 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 175.9 | -173.3 | 172.7 | -177.8 | 174 | 0 | 111.7 | E368 Q370 F374 N375 D376 | E368-K372 WeakPolarHBondContact O-CB 3.3Å; E368-K372 PolarHBondContact O-N 3.18Å; Q370-K372 VanDerWaalsContact C-N 3.33Å; Q370-K372 PolarHBondContact O-N 3.06Å; K372-F374 PolarHBondContact O-N 3.45Å; K372-N375 PolarHBondContact O-N 3.16Å; K372-D376 VanDerWaalsContact O-CG 3.22Å; K372-D376 PolarHBondContact O-N 3.13Å |
| 373 | F | 92 | Very high | 85.1 | Confident | 104 Ų | 104 | 57.2 Ų | 57.2 | 46% | 0.456 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.3 | -52.8 | 178.4 | 171 | -101.9 | 0 | 0 | 0 | 112.2 | R369 Q370 N375 D376 V377 | R369-F373 WeakPolarHBondContact O-CB 3.36Å; R369-F373 PolarHBondContact O-N 3.46Å; Q370-F373 PolarHBondContact O-N 3.42Å; F373-N375 VanDerWaalsContact C-N 3.32Å; F373-N375 PolarHBondContact O-N 2.83Å; F373-D376 PolarHBondContact O-N 2.81Å; F373-V377 HydrophobicContact CE1-CG2 4.37Å; F373-V377 HydrophobicContact CE2-CG2 4.18Å; F373-V377 HydrophobicContact CZ-CG2 4.06Å; F373-V377 WeakPolarHBondContact O-CG2 3.49Å; F373-V377 PolarHBondContact O-N 3.21Å; F373-V377 VanDerWaalsContact O-N 3.11Å |
| 374 | F | 91.7 | Very high | 83 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 179.7 | -65.1 | -53.3 | 0 | 0 | 0 | 111.8 | F198 C199 Q370 K372 D376 V377 V378 Q445 R448 L449 L452 | F198-F374 HydrophobicContact CD1-CE2 4.49Å; F198-F374 AromaticContact CE1-CE2 3.84Å; F198-F374 HydrophobicContact CE1-CE2 3.84Å; F198-F374 HydrophobicContact CE1-CZ 4.35Å; C199-F374 VanDerWaalsContact SG-CZ 3.52Å; Q370-F374 HydrophobicContact CB-CD2 4.33Å; Q370-F374 HydrophobicContact CB-CE2 4.04Å; Q370-F374 WeakPolarHBondContact O-CD2 3.33Å; Q370-F374 WeakPolarHBondContact O-CG 3.28Å; Q370-F374 PolarHBondContact O-N 2.6Å; K372-F374 PolarHBondContact O-N 3.45Å; F374-D376 PolarHBondContact O-N 3.36Å; F374-V377 PolarHBondContact O-N 3.49Å; F374-V378 VanDerWaalsContact O-CB 3.26Å; F374-V378 WeakPolarHBondContact O-CB 3.5Å; F374-V378 WeakPolarHBondContact O-CG2 3.43Å; F374-V378 PolarHBondContact O-N 3.49Å; F374-Q445 VanDerWaalsContact CD1-OE1 3.26Å; F374-R448 HydrophobicContact CD1-CB 4.44Å; F374-R448 HydrophobicContact CD2-CB 4.36Å; F374-R448 HydrophobicContact CE1-CB 4.31Å; F374-R448 HydrophobicContact CE2-CB 4.21Å; F374-R448 HydrophobicContact CG-CB 4.48Å; F374-R448 HydrophobicContact CZ-CB 4.17Å; F374-L449 HydrophobicContact CB-CB 3.86Å; F374-L449 HydrophobicContact CB-CD1 3.98Å; F374-L449 HydrophobicContact CB-CG 4.41Å; F374-L452 HydrophobicContact CD2-CD2 4.43Å; F374-L452 HydrophobicContact CE2-CD2 4.49Å |
| 375 | N | 91.4 | Very high | 80.8 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 175.4 | -174.6 | 73.8 | 0 | 0 | 0 | 112.3 | P63 L371 K372 F373 V378 S379 L449 | P63-N375 HydrophobicContact CB-CB 3.57Å; P63-N375 VanDerWaalsContact CB-CG 3.44Å; P63-N375 WeakPolarHBondContact CB-ND2 3.34Å; P63-N375 HydrophobicContact CG-CB 3.57Å; L371-N375 WeakPolarHBondContact O-CB 3.44Å; L371-N375 PolarHBondContact O-N 3.17Å; K372-N375 PolarHBondContact O-N 3.16Å; F373-N375 VanDerWaalsContact C-N 3.32Å; F373-N375 PolarHBondContact O-N 2.83Å; N375-V378 CarbonylContact O-C 3.53Å; N375-V378 PolarHBondContact O-N 3.2Å; N375-S379 PolarHBondContact ND2-OG 3.27Å; N375-S379 WeakPolarHBondContact O-CB 3.14Å; N375-S379 PolarHBondContact O-N 2.99Å; N375-S379 PolarHBondContact O-OG 3.27Å; N375-L449 HydrophobicContact CB-CD1 4.09Å; N375-L449 HydrophobicContact CB-CD2 4.09Å |
| 376 | D | 89.7 | Confident | 78.5 | Confident | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 177.6 | -67.6 | -18.9 | 0 | 0 | 0 | 111 | K372 F373 F374 V378 S379 S380 | K372-D376 VanDerWaalsContact O-CG 3.22Å; K372-D376 PolarHBondContact O-N 3.13Å; F373-D376 PolarHBondContact O-N 2.81Å; F374-D376 PolarHBondContact O-N 3.36Å; D376-V378 VanDerWaalsContact C-N 3.34Å; D376-V378 PolarHBondContact O-N 3.2Å; D376-S379 PolarHBondContact O-N 2.96Å; D376-S380 WeakPolarHBondContact O-CB 3.4Å; D376-S380 PolarHBondContact O-N 3.11Å; D376-S380 PolarHBondContact O-OG 3.26Å |
| 377 | V | 87.5 | Confident | 76.1 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 29% | 0.285 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 173.3 | 176.4 | 0 | 0 | 0 | 0 | 111 | F373 F374 S380 Q445 | F373-V377 HydrophobicContact CE1-CG2 4.37Å; F373-V377 HydrophobicContact CE2-CG2 4.18Å; F373-V377 HydrophobicContact CZ-CG2 4.06Å; F373-V377 WeakPolarHBondContact O-CG2 3.49Å; F373-V377 PolarHBondContact O-N 3.21Å; F373-V377 VanDerWaalsContact O-N 3.11Å; F374-V377 PolarHBondContact O-N 3.49Å; V377-S380 PolarHBondContact O-OG 3.32Å; V377-Q445 HydrophobicContact CG1-CB 4.14Å; V377-Q445 HydrophobicContact CG1-CG 4.11Å |
| 378 | V | 86.2 | Confident | 73.7 | Confident | 4 Ų | 4 | 82.1 Ų | 82.1 | 2% | 0.024 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -79.4 | -19.4 | -177.8 | 175.1 | 0 | 0 | 0 | 0 | 112.6 | F374 N375 D376 W442 Q445 L449 | F374-V378 VanDerWaalsContact O-CB 3.26Å; F374-V378 WeakPolarHBondContact O-CB 3.5Å; F374-V378 WeakPolarHBondContact O-CG2 3.43Å; F374-V378 PolarHBondContact O-N 3.49Å; N375-V378 CarbonylContact O-C 3.53Å; N375-V378 PolarHBondContact O-N 3.2Å; D376-V378 VanDerWaalsContact C-N 3.34Å; D376-V378 PolarHBondContact O-N 3.2Å; V378-W442 HydrophobicContact CB-CE3 4.47Å; V378-W442 HydrophobicContact CB-CH2 4.21Å; V378-W442 HydrophobicContact CB-CZ3 3.85Å; V378-W442 HydrophobicContact CG1-CE3 4.45Å; V378-W442 HydrophobicContact CG1-CH2 3.44Å; V378-W442 VanDerWaalsContact CG1-CH2 3.44Å; V378-W442 HydrophobicContact CG1-CZ2 4.28Å; V378-W442 HydrophobicContact CG1-CZ3 3.62Å; V378-W442 HydrophobicContact CG2-CE3 4.43Å; V378-W442 HydrophobicContact CG2-CZ3 4.28Å; V378-W442 WeakPolarHBondContact O-CH2 3.49Å; V378-W442 WeakPolarHBondContact O-CZ3 3.42Å; V378-Q445 HydrophobicContact CG2-CB 4.32Å; V378-L449 HydrophobicContact CB-CD2 4.03Å; V378-L449 HydrophobicContact CG1-CD2 4.11Å; V378-L449 HydrophobicContact CG2-CD2 4.2Å |
| 379 | S | 82.9 | Confident | 71.2 | Confident | 52 Ų | 52 | 86.1 Ų | 86.1 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -88.6 | -39 | 178.7 | -60 | 0 | 0 | 0 | 0 | 111.1 | N375 D376 R381 K382 | N375-S379 PolarHBondContact ND2-OG 3.27Å; N375-S379 WeakPolarHBondContact O-CB 3.14Å; N375-S379 PolarHBondContact O-N 2.99Å; N375-S379 PolarHBondContact O-OG 3.27Å; D376-S379 PolarHBondContact O-N 2.96Å; S379-R381 PolarHBondContact O-N 3.21Å; S379-K382 PolarHBondContact O-N 2.93Å; S379-K382 VanDerWaalsContact O-N 3.1Å |
| 380 | S | 76.6 | Confident | 68.7 | Low | 73 Ų | 73 | 83.2 Ų | 83.2 | 51% | 0.51 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.1 | -31.1 | -178 | 62 | 0 | 0 | 0 | 0 | 113.7 | D376 V377 | D376-S380 WeakPolarHBondContact O-CB 3.4Å; D376-S380 PolarHBondContact O-N 3.11Å; D376-S380 PolarHBondContact O-OG 3.26Å; V377-S380 PolarHBondContact O-OG 3.32Å |
| 381 | R | 67.7 | Low | 65.9 | Low | 160 Ų | 160 | 85.6 Ų | 85.6 | 60% | 0.604 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -19.3 | 177.6 | -77.4 | -166.2 | -179.4 | -135.4 | 2 | 115.4 | S379 G383 I384 G385 W442 | S379-R381 PolarHBondContact O-N 3.21Å; R381-G383 PolarHBondContact O-N 2.93Å; R381-G383 VanDerWaalsContact O-N 3.13Å; R381-I384 PolarHBondContact O-N 3.39Å; R381-I384 VanDerWaalsContact O-N 3.09Å; R381-G385 PolarHBondContact O-N 2.92Å; R381-W442 HydrophobicContact CB-CE3 3.9Å; R381-W442 HydrophobicContact CB-CZ3 3.83Å; R381-W442 HydrophobicContact CG-CE3 4.44Å |
| 382 | K | 55.9 | Low | 63.3 | Low | 133 Ų | 133 | 89.7 Ų | 89.7 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.6 | 175.6 | -81.8 | -177.5 | 178.4 | 171.6 | 0 | 112.5 | S379 W442 | S379-K382 PolarHBondContact O-N 2.93Å; S379-K382 VanDerWaalsContact O-N 3.1Å; K382-W442 HydrophobicContact CG-CH2 4.45Å |
| 383 | G | 47.9 | Very low | 60.7 | Low | 68 Ų | 68 | 93.2 Ų | 93.2 | 70% | 0.701 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -19.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R381 | R381-G383 PolarHBondContact O-N 2.93Å; R381-G383 VanDerWaalsContact O-N 3.13Å |
| 384 | I | 46 | Very low | 58.2 | Low | 122 Ų | 122 | 97.6 Ų | 97.6 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -27.2 | -169.2 | -64.7 | 164.2 | 0 | 0 | 0 | 112.1 | R381 | R381-I384 PolarHBondContact O-N 3.39Å; R381-I384 VanDerWaalsContact O-N 3.09Å |
| 385 | G | 43.9 | Very low | 55.6 | Low | 49 Ų | 49 | 108.7 Ų | 108.7 | 51% | 0.505 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.9 | -18.8 | -173 | 0 | 0 | 0 | 0 | 0 | 117.1 | R381 | R381-G385 PolarHBondContact O-N 2.92Š|
| 386 | K | 43.9 | Very low | 53.1 | Low | 194 Ų | 194 | 114.8 Ų | 114.8 | 84% | 0.843 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -11.2 | -174.9 | -73.1 | -173.2 | 177 | -180 | 0 | 114.9 | ||
| 387 | S | 40.3 | Very low | 50.4 | Low | 96 Ų | 96 | 117 Ų | 117 | 67% | 0.671 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -7.2 | -172.4 | -162.7 | 0 | 0 | 0 | 0 | 116 | ||
| 388 | L | 41.3 | Very low | 47.6 | Very low | 130 Ų | 130 | 117.7 Ų | 117.7 | 68% | 0.681 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | -7 | -171.7 | -74.2 | 169.7 | 0 | 0 | 0 | 116.6 | T392 | L388-T392 PolarHBondContact O-OG1 3.32Š|
| 389 | L | 40.1 | Very low | 44.9 | Very low | 143 Ų | 143 | 122.9 Ų | 122.9 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -116.9 | -7.2 | -179.7 | -75.3 | 163.6 | 0 | 0 | 0 | 115 | ||
| 390 | S | 39.3 | Very low | 42.3 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -95 | -9 | 170.9 | -164.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 391 | A | 34.8 | Very low | 40 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 65% | 0.653 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -99.2 | -9.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 392 | T | 38.5 | Very low | 38.1 | Very low | 86 Ų | 86 | 125.7 Ų | 125.7 | 53% | 0.528 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -96.3 | -0.6 | 177.5 | 6.3 | 0 | 0 | 0 | 0 | 114 | L388 K394 | L388-T392 PolarHBondContact O-OG1 3.32Å; T392-K394 PolarHBondContact O-N 3.26Å |
| 393 | K | 37.8 | Very low | 36.7 | Very low | 194 Ų | 194 | 125.7 Ų | 125.7 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -87.7 | 8.1 | 177.8 | -114.8 | 177.2 | -177.8 | 174.8 | 0 | 115 | ||
| 394 | K | 38.6 | Very low | 35.8 | Very low | 196 Ų | 196 | 131 Ų | 131 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -129.5 | 5.1 | -179.8 | -80.1 | -171.6 | 175.4 | -178.1 | 0 | 116.3 | T392 | T392-K394 PolarHBondContact O-N 3.26Š|
| 395 | W | 37.7 | Very low | 35 | Very low | 238 Ų | 238 | 128.9 Ų | 128.9 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -134.5 | 17.6 | -177.9 | -122.5 | 57 | 0 | 0 | 0 | 115.9 | ||
| 396 | L | 37.3 | Very low | 34.2 | Very low | 150 Ų | 150 | 131 Ų | 131 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -129.1 | 55.3 | 171.1 | -66 | 171.1 | 0 | 0 | 0 | 110 | G398 | L396-G398 PolarHBondContact O-N 3.31Š| ||
| 397 | S | 34.6 | Very low | 33.5 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 94% | 0.937 | 76% | 0.759 | S | S | * | * | trans | -90 | 82.6 | 162.2 | 171.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 398 | G | 27.3 | Very low | 33.3 | Very low | 62 Ų | 62 | 131.8 Ų | 131.8 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -179.5 | 105.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L396 | L396-G398 PolarHBondContact O-N 3.31Š|
| 399 | S | 29.7 | Very low | 32.6 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 24.9 | 128.5 | 158.9 | -53.3 | 0 | 0 | 0 | 0 | 119.4 | ||
| 400 | S | 28.1 | Very low | 31.9 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | 68.3 | 84.1 | 168.8 | 36.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 401 | A | 29 | Very low | 31.3 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -107.8 | 143 | 157 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 402 | P | 28.7 | Very low | 31 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -69.3 | 139 | -178.4 | 30.1 | -32.6 | 0 | 0 | 0 | 110.4 | L404 | P402-L404 PolarHBondContact O-N 3.47Š| ||
| 403 | N | 26.7 | Very low | 30.5 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | trans | -51.4 | 109 | 176.3 | -81.4 | -39.2 | 0 | 0 | 0 | 111.6 | S405 | N403-S405 PolarHBondContact O-N 3.32Å; N403-S405 PolarHBondContact OD1-OG 3.2Å | ||
| 404 | L | 28.5 | Very low | 30.1 | Very low | 180 Ų | 180 | 127.3 Ų | 127.3 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | trans | -94.5 | 40.9 | 160.5 | -148.1 | 94.7 | 0 | 0 | 0 | 110.4 | P402 | P402-L404 PolarHBondContact O-N 3.47Š| ||
| 405 | S | 28.4 | Very low | 29.7 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 54% | 0.538 | 80% | 0.801 | S | S | . | * | trans | -119.9 | 17.9 | 178.9 | 33.1 | 0 | 0 | 0 | 0 | 111.8 | N403 | N403-S405 PolarHBondContact O-N 3.32Å; N403-S405 PolarHBondContact OD1-OG 3.2Å | ||
| 406 | S | 27.4 | Very low | 29.3 | Very low | 92 Ų | 92 | 118 Ų | 118 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -98.5 | 16.1 | -178.2 | 60.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 407 | L | 30.1 | Very low | 28.9 | Very low | 163 Ų | 163 | 114.8 Ų | 114.8 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -127.1 | 5.7 | 176.4 | -94.9 | 141.9 | 0 | 0 | 0 | 114.8 | ||
| 408 | V | 34.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 113.7 Ų | 113.7 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -140.2 | 49.6 | 173.8 | -162.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 409 | A | 26.7 | Very low | 28.7 | Very low | 86 Ų | 86 | 116.2 Ų | 116.2 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -178.4 | 76.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 410 | S | 26.5 | Very low | 28.8 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -138.3 | 70.3 | 162.9 | 63.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 411 | S | 27.1 | Very low | 28.8 | Very low | 110 Ų | 110 | 115.7 Ų | 115.7 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -160.6 | 60 | 155.1 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 412 | T | 27.5 | Very low | 29 | Very low | 145 Ų | 145 | 117.1 Ų | 117.1 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -161.5 | 126.2 | 157.5 | 18.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 413 | A | 27.9 | Very low | 28.9 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | 82.9 | 115.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 414 | G | 30.4 | Very low | 29 | Very low | 80 Ų | 80 | 124 Ų | 124 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 178.8 | 51.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S416 | G414-S416 PolarHBondContact O-N 3.38Š| ||
| 415 | S | 29 | Very low | 29 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -68.5 | 115.2 | 168.4 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 416 | S | 29.6 | Very low | 28.9 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -170.9 | 120.1 | 151 | 15.9 | 0 | 0 | 0 | 0 | 111.5 | G414 | G414-S416 PolarHBondContact O-N 3.38Š| ||
| 417 | G | 28.4 | Very low | 28.8 | Very low | 81 Ų | 81 | 121.8 Ų | 121.8 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | 97.7 | 111.5 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 418 | S | 30.9 | Very low | 28.5 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | 99.5 | 91.8 | 144.8 | -143.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 419 | T | 28.8 | Very low | 28.2 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | 39 | 127.7 | 126.6 | 55.5 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 420 | N | 30.4 | Very low | 28.2 | Very low | 160 Ų | 160 | 120.2 Ų | 120.2 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | trans | 89.1 | 105.3 | 149.9 | -61.1 | -7.6 | 0 | 0 | 0 | 118.9 | ||||
| 421 | G | 28.2 | Very low | 28.2 | Very low | 70 Ų | 70 | 118.1 Ų | 118.1 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | 111.4 | 118.9 | 119.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 422 | S | 32.7 | Very low | 28.6 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 81.1 | 108.4 | 159.5 | 69.2 | 0 | 0 | 0 | 0 | 118.5 | R424 | S422-R424 PolarHBondContact O-N 3.21Š| ||
| 423 | D | 28.3 | Very low | 29.1 | Very low | 170 Ų | 170 | 115.6 Ų | 115.6 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -60 | 117.9 | 168.2 | -64 | -56.6 | 0 | 0 | 0 | 111.9 | ||||
| 424 | R | 27.8 | Very low | 29.6 | Very low | 231 Ų | 231 | 119 Ų | 119 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -132.7 | 129.7 | 152.5 | -86.4 | -176.4 | 167.4 | 179.7 | -4.1 | 106.6 | S422 A426 | S422-R424 PolarHBondContact O-N 3.21Å; R424-A426 PolarHBondContact O-N 3.4Å; R424-A426 VanDerWaalsContact O-N 3.16Å | ||
| 425 | P | 29.1 | Very low | 30.5 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 118.9 | 174.7 | -8.1 | 23 | 0 | 0 | 0 | 108.3 | G427 | P425-G427 PolarHBondContact O-N 3.18Š|
| 426 | A | 26 | Very low | 31.8 | Very low | 99 Ų | 99 | 118.5 Ų | 118.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 121.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | R424 | R424-A426 PolarHBondContact O-N 3.4Å; R424-A426 VanDerWaalsContact O-N 3.16Å |
| 427 | G | 24.6 | Very low | 33.6 | Very low | 70 Ų | 70 | 114 Ų | 114 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 142.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P425 | P425-G427 PolarHBondContact O-N 3.18Š|
| 428 | S | 24.6 | Very low | 35.7 | Very low | 113 Ų | 113 | 113.7 Ų | 113.7 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 135.2 | 177 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | S430 | S428-S430 PolarHBondContact O-N 3.33Å; S428-S430 VanDerWaalsContact O-N 3.07Å |
| 429 | P | 28.3 | Very low | 37.6 | Very low | 128 Ų | 128 | 111.6 Ų | 111.6 | 83% | 0.831 | 71% | 0.71 | S | S | * | * | trans | -75.6 | 103.6 | 176.9 | 30 | -29.8 | 0 | 0 | 0 | 108.9 | G431 | P429-G431 PolarHBondContact O-N 2.86Š| ||
| 430 | S | 26.1 | Very low | 39.9 | Very low | 120 Ų | 120 | 113.8 Ų | 113.8 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | trans | -71.2 | 68 | 164.6 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | S428 Q432 | S428-S430 PolarHBondContact O-N 3.33Å; S428-S430 VanDerWaalsContact O-N 3.07Å; S430-Q432 PolarHBondContact O-N 3.41Å | ||
| 431 | G | 27.4 | Very low | 42.5 | Very low | 70 Ų | 70 | 107.2 Ų | 107.2 | 72% | 0.722 | 68% | 0.679 | S | S | * | * | trans | -84.9 | 81.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | P429 G433 | P429-G431 PolarHBondContact O-N 2.86Å; G431-G433 PolarHBondContact O-N 3.11Å; G431-G433 VanDerWaalsContact O-N 3.16Å | ||
| 432 | Q | 35.1 | Very low | 45.2 | Very low | 142 Ų | 142 | 105.1 Ų | 105.1 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | trans | -58.4 | 118.1 | 162.2 | -78.7 | -171.6 | -11.1 | 0 | 0 | 107.7 | S430 E434 | S430-Q432 PolarHBondContact O-N 3.41Å; Q432-E434 PolarHBondContact O-N 3.26Å | ||
| 433 | G | 37 | Very low | 47.8 | Very low | 60 Ų | 60 | 100.5 Ų | 100.5 | 62% | 0.619 | 62% | 0.615 | S | S | * | * | trans | -50 | 110.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | G431 S435 | G431-G433 PolarHBondContact O-N 3.11Å; G431-G433 VanDerWaalsContact O-N 3.16Å; G433-S435 PolarHBondContact O-N 3.4Å | ||
| 434 | E | 38.8 | Very low | 50.6 | Low | 183 Ų | 183 | 92.8 Ų | 92.8 | 86% | 0.855 | 57% | 0.573 | S | S | * | * | trans | -53.7 | 129.5 | 167.9 | -82 | -177.4 | 142.6 | 0 | 0 | 108.6 | Q432 I436 | Q432-E434 PolarHBondContact O-N 3.26Å; E434-I436 PolarHBondContact O-N 3.35Å; E434-I436 VanDerWaalsContact O-N 3.09Å | ||
| 435 | S | 48.5 | Very low | 53.7 | Low | 55 Ų | 55 | 82.4 Ų | 82.4 | 39% | 0.385 | 54% | 0.535 | S | S | . | . | trans | -56.8 | 116.9 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 109.1 | G433 F437 | G433-S435 PolarHBondContact O-N 3.4Å; S435-F437 PolarHBondContact O-N 3.41Å; S435-F437 PolarHBondContact OG-N 3.35Å; S435-F437 PolarHBondContact OG-O 3.46Å | ||
| 436 | I | 57.3 | Low | 56.7 | Low | 133 Ų | 133 | 76 Ų | 76 | 68% | 0.682 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -52.9 | -20.1 | 173.5 | -62.5 | 168.1 | 0 | 0 | 0 | 111.5 | E434 | E434-I436 PolarHBondContact O-N 3.35Å; E434-I436 VanDerWaalsContact O-N 3.09Å |
| 437 | F | 67 | Low | 59.8 | Low | 25 Ų | 25 | 71.8 Ų | 71.8 | 11% | 0.11 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -106.5 | 134 | 179.7 | -59.5 | -76.4 | 0 | 0 | 0 | 112.5 | S435 E443 M444 L473 A478 | S435-F437 PolarHBondContact O-N 3.41Å; S435-F437 PolarHBondContact OG-N 3.35Å; S435-F437 PolarHBondContact OG-O 3.46Å; F437-E443 HydrophobicContact CD1-CB 4.46Å; F437-E443 HydrophobicContact CD1-CG 4.43Å; F437-E443 HydrophobicContact CE1-CB 4.42Å; F437-E443 HydrophobicContact CE1-CG 4Å; F437-E443 HydrophobicContact CZ-CG 4.34Å; F437-M444 HydrophobicContact CB-CE 3.89Å; F437-M444 HydrophobicContact CB-CG 3.71Å; F437-M444 HydrophobicContact CB-SD 4.41Å; F437-M444 HydrophobicContact CD2-CE 3.52Å; F437-M444 HydrophobicContact CE2-CE 4.29Å; F437-M444 HydrophobicContact CG-CE 3.89Å; F437-L473 HydrophobicContact CE2-CD2 3.91Å; F437-L473 HydrophobicContact CZ-CD2 3.91Å; F437-A478 HydrophobicContact CE2-CB 3.58Å; F437-A478 HydrophobicContact CZ-CB 3.83Å |
| 438 | A | 72.7 | Confident | 63.1 | Low | 75 Ų | 75 | 69 Ų | 69 | 62% | 0.62 | 42% | 0.424 | S | S | * | . | trans | -58.2 | 144.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E440 S441 | A438-E440 PolarHBondContact O-N 2.8Å; A438-S441 WeakPolarHBondContact O-CB 3.36Å; A438-S441 PolarHBondContact O-N 2.96Å | ||
| 439 | S | 71.4 | Confident | 66.4 | Low | 68 Ų | 68 | 63.7 Ų | 63.7 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -21.2 | -179.7 | -176.4 | 0 | 0 | 0 | 0 | 114.3 | R448 | S439-R448 PolarHBondContact O-NH1 3.09Å; S439-R448 PolarHBondContact OG-NH2 3.06Å |
| 440 | E | 76.5 | Confident | 69.6 | Low | 160 Ų | 160 | 57.6 Ų | 57.6 | 75% | 0.748 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.9 | 178.9 | -57 | -166.6 | 165.9 | 0 | 0 | 113.9 | A438 | A438-E440 PolarHBondContact O-N 2.8Š|
| 441 | S | 84.3 | Confident | 72.9 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -61.2 | 152 | 178.6 | 97.6 | 0 | 0 | 0 | 0 | 111.1 | A438 E443 M444 Q445 | A438-S441 WeakPolarHBondContact O-CB 3.36Å; A438-S441 PolarHBondContact O-N 2.96Å; S441-E443 WeakPolarHBondContact CB-OE2 3.43Å; S441-E443 PolarHBondContact O-N 2.85Å; S441-E443 PolarHBondContact OG-N 3.37Å; S441-E443 PolarHBondContact OG-OE2 2.83Å; S441-M444 PolarHBondContact O-N 3.39Å; S441-M444 VanDerWaalsContact O-N 3.13Å; S441-M444 PolarHBondContact OG-N 3.41Å; S441-Q445 VanDerWaalsContact O-CG 3.31Å; S441-Q445 WeakPolarHBondContact O-CG 3.36Å; S441-Q445 PolarHBondContact O-N 3.47Å |
| 442 | W | 84.8 | Confident | 76 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -49.4 | -46.8 | 175.1 | 150.9 | -104.3 | 0 | 0 | 0 | 112.3 | V378 R381 K382 M444 Q445 G446 M468 E472 | V378-W442 HydrophobicContact CB-CE3 4.47Å; V378-W442 HydrophobicContact CB-CH2 4.21Å; V378-W442 HydrophobicContact CB-CZ3 3.85Å; V378-W442 HydrophobicContact CG1-CE3 4.45Å; V378-W442 HydrophobicContact CG1-CH2 3.44Å; V378-W442 VanDerWaalsContact CG1-CH2 3.44Å; V378-W442 HydrophobicContact CG1-CZ2 4.28Å; V378-W442 HydrophobicContact CG1-CZ3 3.62Å; V378-W442 HydrophobicContact CG2-CE3 4.43Å; V378-W442 HydrophobicContact CG2-CZ3 4.28Å; V378-W442 WeakPolarHBondContact O-CH2 3.49Å; V378-W442 WeakPolarHBondContact O-CZ3 3.42Å; R381-W442 HydrophobicContact CB-CE3 3.9Å; R381-W442 HydrophobicContact CB-CZ3 3.83Å; R381-W442 HydrophobicContact CG-CE3 4.44Å; K382-W442 HydrophobicContact CG-CH2 4.45Å; W442-M444 VanDerWaalsContact C-N 3.34Å; W442-M444 PolarHBondContact O-N 3.13Å; W442-Q445 PolarHBondContact O-N 3.22Å; W442-G446 PolarHBondContact O-N 3.48Å; W442-M468 HydrophobicContact CH2-CE 4.48Å; W442-M468 HydrophobicContact CZ2-CE 4.14Å; W442-M468 HydrophobicContact CZ2-SD 3.88Å; W442-E472 PolarHBondContact NE1-OE2 3.34Å |
| 443 | E | 88 | Confident | 78.8 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | -177.6 | -60 | 80.2 | -177 | 0 | 0 | 110.6 | F437 S441 G446 R447 L473 Q476 | F437-E443 HydrophobicContact CD1-CB 4.46Å; F437-E443 HydrophobicContact CD1-CG 4.43Å; F437-E443 HydrophobicContact CE1-CB 4.42Å; F437-E443 HydrophobicContact CE1-CG 4Å; F437-E443 HydrophobicContact CZ-CG 4.34Å; S441-E443 WeakPolarHBondContact CB-OE2 3.43Å; S441-E443 PolarHBondContact O-N 2.85Å; S441-E443 PolarHBondContact OG-N 3.37Å; S441-E443 PolarHBondContact OG-OE2 2.83Å; E443-G446 PolarHBondContact O-N 3.45Å; E443-R447 WeakPolarHBondContact O-CB 3.49Å; E443-R447 PolarHBondContact O-N 3.47Å; E443-L473 HydrophobicContact CB-CD2 4.21Å; E443-L473 HydrophobicContact CG-CD2 4.14Å; E443-Q476 PolarHBondContact OE1-NE2 3.33Å |
| 444 | M | 88.4 | Confident | 81.4 | Confident | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.034 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.3 | -39.6 | 178.1 | -67.6 | -58.1 | 120.8 | 0 | 0 | 112.2 | F143 F437 S441 W442 R447 R448 N481 | F143-M444 HydrophobicContact CE2-SD 4.34Å; F143-M444 HydrophobicContact CZ-SD 4.28Å; F437-M444 HydrophobicContact CB-CE 3.89Å; F437-M444 HydrophobicContact CB-CG 3.71Å; F437-M444 HydrophobicContact CB-SD 4.41Å; F437-M444 HydrophobicContact CD2-CE 3.52Å; F437-M444 HydrophobicContact CE2-CE 4.29Å; F437-M444 HydrophobicContact CG-CE 3.89Å; S441-M444 PolarHBondContact O-N 3.39Å; S441-M444 VanDerWaalsContact O-N 3.13Å; S441-M444 PolarHBondContact OG-N 3.41Å; W442-M444 VanDerWaalsContact C-N 3.34Å; W442-M444 PolarHBondContact O-N 3.13Å; M444-R447 PolarHBondContact O-N 3.29Å; M444-R448 WeakPolarHBondContact O-CG 3.45Å; M444-R448 PolarHBondContact O-N 3.28Å; M444-N481 VanDerWaalsContact CE-OD1 3.3Å; M444-N481 WeakPolarHBondContact CE-OD1 3.28Å |
| 445 | Q | 91.1 | Very high | 84 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 7% | 0.065 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.2 | -38.8 | 174.9 | -59.8 | -64.6 | 16.5 | 0 | 0 | 111.9 | F374 V377 V378 S441 W442 R447 R448 L449 | F374-Q445 VanDerWaalsContact CD1-OE1 3.26Å; V377-Q445 HydrophobicContact CG1-CB 4.14Å; V377-Q445 HydrophobicContact CG1-CG 4.11Å; V378-Q445 HydrophobicContact CG2-CB 4.32Å; S441-Q445 VanDerWaalsContact O-CG 3.31Å; S441-Q445 WeakPolarHBondContact O-CG 3.36Å; S441-Q445 PolarHBondContact O-N 3.47Å; W442-Q445 PolarHBondContact O-N 3.22Å; Q445-R447 VanDerWaalsContact C-N 3.32Å; Q445-R448 PolarHBondContact O-N 2.91Å; Q445-R448 VanDerWaalsContact OE1-NH1 3.13Å; Q445-L449 PolarHBondContact O-N 2.75Å |
| 446 | G | 92.3 | Very high | 86 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -43 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W442 E443 L449 A450 I465 | W442-G446 PolarHBondContact O-N 3.48Å; E443-G446 PolarHBondContact O-N 3.45Å; G446-L449 PolarHBondContact O-N 3.23Å; G446-A450 PolarHBondContact O-N 3.09Å; G446-I465 WeakPolarHBondContact O-CG2 3.5Å |
| 447 | R | 92.7 | Very high | 87.6 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 3% | 0.034 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 176.2 | -175.8 | 66.5 | -166.9 | -161.4 | -11.5 | 111.7 | F143 E443 M444 Q445 A450 D451 Y466 L469 G484 | F143-R447 HydrophobicContact CD2-CB 4.37Å; F143-R447 HydrophobicContact CD2-CG 3.82Å; F143-R447 HydrophobicContact CE2-CB 4.1Å; F143-R447 HydrophobicContact CE2-CG 3.85Å; E443-R447 WeakPolarHBondContact O-CB 3.49Å; E443-R447 PolarHBondContact O-N 3.47Å; M444-R447 PolarHBondContact O-N 3.29Å; Q445-R447 VanDerWaalsContact C-N 3.32Å; R447-A450 PolarHBondContact O-N 2.84Å; R447-D451 IonicContact CZ-OD1 3.95Å; R447-D451 IonicContact NE-OD1 3.62Å; R447-D451 PolarHBondContact NE-OD1 3.06Å; R447-D451 IonicContact NE-OD2 2.81Å; R447-D451 PolarHBondContact NE-OD2 3.29Å; R447-D451 IonicContact NH2-OD1 3.25Å; R447-D451 WeakPolarHBondContact O-CB 3.45Å; R447-D451 VanDerWaalsContact O-CG 3.28Å; R447-D451 PolarHBondContact O-N 3.39Å; R447-Y466 VanDerWaalsContact CZ-CE1 3.46Å; R447-Y466 VanDerWaalsContact NH1-CD1 3.29Å; R447-L469 HydrophobicContact CB-CD1 4.31Å; R447-G484 PolarHBondContact NH1-O 3.13Å; R447-G484 PolarHBondContact NH2-O 3.3Å |
| 448 | R | 93.3 | Very high | 88.7 | Confident | 13 Ų | 13 | 23.2 Ų | 23.2 | 5% | 0.049 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 173.5 | -76.3 | -177.8 | 179.9 | 139.9 | 5.1 | 112.4 | F143 F198 F374 S439 M444 Q445 A450 D451 L452 | F143-R448 HydrophobicContact CD1-CG 4.02Å; F143-R448 HydrophobicContact CD2-CG 3.68Å; F143-R448 HydrophobicContact CE1-CG 4.1Å; F143-R448 HydrophobicContact CE2-CG 3.76Å; F143-R448 HydrophobicContact CG-CG 3.82Å; F143-R448 HydrophobicContact CZ-CG 3.97Å; F198-R448 HydrophobicContact CE1-CB 4.01Å; F198-R448 HydrophobicContact CE1-CG 4.16Å; F198-R448 HydrophobicContact CZ-CB 4.05Å; F198-R448 HydrophobicContact CZ-CG 4.28Å; F198-R448 WeakPolarHBondContact CZ-O 3.23Å; F198-R448 PolarHBondContact O-NE 3.3Å; F198-R448 VanDerWaalsContact O-NE 3.17Å; F374-R448 HydrophobicContact CD1-CB 4.44Å; F374-R448 HydrophobicContact CD2-CB 4.36Å; F374-R448 HydrophobicContact CE1-CB 4.31Å; F374-R448 HydrophobicContact CE2-CB 4.21Å; F374-R448 HydrophobicContact CG-CB 4.48Å; F374-R448 HydrophobicContact CZ-CB 4.17Å; S439-R448 PolarHBondContact O-NH1 3.09Å; S439-R448 PolarHBondContact OG-NH2 3.06Å; M444-R448 WeakPolarHBondContact O-CG 3.45Å; M444-R448 PolarHBondContact O-N 3.28Å; Q445-R448 PolarHBondContact O-N 2.91Å; Q445-R448 VanDerWaalsContact OE1-NH1 3.13Å; R448-A450 VanDerWaalsContact C-N 3.28Å; R448-A450 PolarHBondContact O-N 3.09Å; R448-D451 PolarHBondContact O-N 3.18Å; R448-L452 VanDerWaalsContact O-CB 3.3Å; R448-L452 WeakPolarHBondContact O-CB 3.32Å; R448-L452 PolarHBondContact O-N 3.17Å |
| 449 | L | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.7 | -46.3 | 176.9 | -179.3 | 60.3 | 0 | 0 | 0 | 111.2 | L371 F374 N375 V378 Q445 G446 A453 I465 | L371-L449 HydrophobicContact CD2-CD1 3.9Å; L371-L449 WeakPolarHBondContact O-CD1 3.26Å; F374-L449 HydrophobicContact CB-CB 3.86Å; F374-L449 HydrophobicContact CB-CD1 3.98Å; F374-L449 HydrophobicContact CB-CG 4.41Å; N375-L449 HydrophobicContact CB-CD1 4.09Å; N375-L449 HydrophobicContact CB-CD2 4.09Å; V378-L449 HydrophobicContact CB-CD2 4.03Å; V378-L449 HydrophobicContact CG1-CD2 4.11Å; V378-L449 HydrophobicContact CG2-CD2 4.2Å; Q445-L449 PolarHBondContact O-N 2.75Å; G446-L449 PolarHBondContact O-N 3.23Å; L449-A453 VanDerWaalsContact O-CB 3.27Å; L449-A453 WeakPolarHBondContact O-CB 3.3Å; L449-A453 PolarHBondContact O-N 3.37Å; L449-I465 HydrophobicContact CB-CD1 4.27Å; L449-I465 HydrophobicContact CD2-CD1 3.57Å; L449-I465 HydrophobicContact CG-CD1 3.58Å |
| 450 | A | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.2 | -45.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G446 R447 R448 L452 A453 F454 A462 I465 Y466 | G446-A450 PolarHBondContact O-N 3.09Å; R447-A450 PolarHBondContact O-N 2.84Å; R448-A450 VanDerWaalsContact C-N 3.28Å; R448-A450 PolarHBondContact O-N 3.09Å; A450-L452 PolarHBondContact O-N 2.87Å; A450-A453 PolarHBondContact O-N 2.86Å; A450-F454 VanDerWaalsContact O-CB 3.32Å; A450-F454 WeakPolarHBondContact O-CB 3.31Å; A450-F454 PolarHBondContact O-N 2.89Å; A450-A462 WeakPolarHBondContact O-CB 3.25Å; A450-I465 HydrophobicContact CB-CB 3.85Å; A450-I465 HydrophobicContact CB-CD1 4.3Å; A450-I465 HydrophobicContact CB-CG2 3.78Å; A450-Y466 HydrophobicContact CB-CD1 3.67Å; A450-Y466 HydrophobicContact CB-CD2 4.29Å; A450-Y466 HydrophobicContact CB-CE1 3.28Å; A450-Y466 HydrophobicContact CB-CE2 3.95Å; A450-Y466 HydrophobicContact CB-CG 4.16Å; A450-Y466 VanDerWaalsContact CB-CZ 3.46Å; A450-Y466 PolarHBondContact O-OH 2.82Å |
| 451 | D | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 178.7 | -71.8 | -4.3 | 0 | 0 | 0 | 110.9 | F143 I144 F198 R447 R448 F454 L455 Y466 | F143-D451 WeakPolarHBondContact CA-OD2 2.94Å; F143-D451 HydrophobicContact CB-CB 4.08Å; F143-D451 WeakPolarHBondContact CB-OD2 3.42Å; F143-D451 PolarHBondContact N-OD2 3.39Å; I144-D451 HydrophobicContact CG2-CB 3.78Å; F198-D451 HydrophobicContact CE2-CB 4.29Å; R447-D451 IonicContact CZ-OD1 3.95Å; R447-D451 IonicContact NE-OD1 3.62Å; R447-D451 PolarHBondContact NE-OD1 3.06Å; R447-D451 IonicContact NE-OD2 2.81Å; R447-D451 PolarHBondContact NE-OD2 3.29Å; R447-D451 IonicContact NH2-OD1 3.25Å; R447-D451 WeakPolarHBondContact O-CB 3.45Å; R447-D451 VanDerWaalsContact O-CG 3.28Å; R447-D451 PolarHBondContact O-N 3.39Å; R448-D451 PolarHBondContact O-N 3.18Å; D451-F454 PolarHBondContact O-N 2.94Å; D451-L455 VanDerWaalsContact O-CG 3.29Å; D451-L455 WeakPolarHBondContact O-CG 3.13Å; D451-L455 PolarHBondContact O-N 3.4Å; D451-Y466 VanDerWaalsContact CA-OH 3.25Å; D451-Y466 WeakPolarHBondContact CA-OH 3.27Å; D451-Y466 PolarHBondContact N-OH 3.28Å; D451-Y466 VanDerWaalsContact OD1-CE1 3.29Å; D451-Y466 WeakPolarHBondContact OD1-CE1 3.41Å; D451-Y466 VanDerWaalsContact OD1-CZ 3.27Å; D451-Y466 PolarHBondContact OD1-OH 3.15Å |
| 452 | L | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 176.5 | -167.7 | 61.1 | 0 | 0 | 0 | 112 | F198 V367 Q370 L371 F374 R448 A450 F454 L455 F456 | F198-L452 HydrophobicContact CE1-CB 4.19Å; F198-L452 HydrophobicContact CE1-CD1 4.38Å; F198-L452 HydrophobicContact CE1-CD2 4.4Å; F198-L452 HydrophobicContact CZ-CB 3.71Å; F198-L452 HydrophobicContact CZ-CD1 4.25Å; F198-L452 HydrophobicContact CZ-CG 4.44Å; V367-L452 HydrophobicContact CG1-CD1 4.1Å; V367-L452 HydrophobicContact CG1-CD2 4.24Å; V367-L452 HydrophobicContact CG1-CG 4.07Å; V367-L452 HydrophobicContact CG2-CD1 4.4Å; Q370-L452 HydrophobicContact CB-CD2 3.63Å; L371-L452 HydrophobicContact CD2-CB 3.92Å; L371-L452 HydrophobicContact CD2-CD2 3.85Å; L371-L452 HydrophobicContact CD2-CG 3.84Å; L371-L452 HydrophobicContact CG-CD2 3.76Å; L371-L452 HydrophobicContact CG-CG 4.04Å; F374-L452 HydrophobicContact CD2-CD2 4.43Å; F374-L452 HydrophobicContact CE2-CD2 4.49Å; R448-L452 VanDerWaalsContact O-CB 3.3Å; R448-L452 WeakPolarHBondContact O-CB 3.32Å; R448-L452 PolarHBondContact O-N 3.17Å; A450-L452 PolarHBondContact O-N 2.87Å; L452-F454 VanDerWaalsContact C-N 3.28Å; L452-F454 PolarHBondContact O-N 3.39Å; L452-L455 PolarHBondContact O-N 3.01Å; L452-F456 HydrophobicContact CD1-CD2 4.13Å; L452-F456 HydrophobicContact CD1-CE2 4.11Å; L452-F456 PolarHBondContact O-N 3.4Å |
| 453 | A | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L371 L449 A450 F456 Q457 H458 L461 A462 | L371-A453 HydrophobicContact CD2-CB 4.23Å; L449-A453 VanDerWaalsContact O-CB 3.27Å; L449-A453 WeakPolarHBondContact O-CB 3.3Å; L449-A453 PolarHBondContact O-N 3.37Å; A450-A453 PolarHBondContact O-N 2.86Å; A453-F456 CarbonylContact O-C 3.51Å; A453-F456 PolarHBondContact O-N 2.77Å; A453-Q457 PolarHBondContact O-N 3.36Å; A453-H458 HydrophobicContact CB-CB 4.31Å; A453-H458 PolarHBondContact O-N 3.06Å; A453-L461 HydrophobicContact CB-CD2 4.13Å; A453-L461 HydrophobicContact CB-CG 4.33Å; A453-A462 HydrophobicContact CB-CB 4.15Å |
| 454 | F | 93.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.4 | -45.3 | 177.1 | -174.3 | -92.8 | 0 | 0 | 0 | 112.4 | S19 I144 A450 D451 L452 F456 Q457 Y459 A462 M488 L491 L495 | S19-F454 WeakPolarHBondContact OG-CE1 3.18Å; I144-F454 HydrophobicContact CG2-CD1 4.33Å; A450-F454 VanDerWaalsContact O-CB 3.32Å; A450-F454 WeakPolarHBondContact O-CB 3.31Å; A450-F454 PolarHBondContact O-N 2.89Å; D451-F454 PolarHBondContact O-N 2.94Å; L452-F454 VanDerWaalsContact C-N 3.28Å; L452-F454 PolarHBondContact O-N 3.39Å; F454-F456 PolarHBondContact O-N 3.38Å; F454-Q457 PolarHBondContact O-N 2.71Å; F454-Q457 VanDerWaalsContact O-N 3.08Å; F454-Y459 AromaticContact CD2-CD1 3.64Å; F454-Y459 HydrophobicContact CD2-CD1 3.64Å; F454-Y459 AromaticContact CD2-CE1 3.92Å; F454-Y459 HydrophobicContact CD2-CE1 3.92Å; F454-Y459 AromaticContact CE2-CD1 3.82Å; F454-Y459 HydrophobicContact CE2-CD1 3.82Å; F454-Y459 AromaticContact CE2-CE1 3.92Å; F454-Y459 HydrophobicContact CE2-CE1 3.92Å; F454-Y459 HydrophobicContact CG-CD1 4.33Å; F454-Y459 HydrophobicContact CG-CE1 4.31Å; F454-Y459 HydrophobicContact CZ-CE1 4.31Å; F454-Y459 WeakPolarHBondContact O-CE1 3.49Å; F454-A462 HydrophobicContact CB-CB 3.94Å; F454-A462 HydrophobicContact CD2-CB 4.43Å; F454-M488 HydrophobicContact CB-CE 4.31Å; F454-M488 HydrophobicContact CD1-CE 3.47Å; F454-M488 VanDerWaalsContact CD1-CE 3.47Å; F454-M488 HydrophobicContact CD2-CE 3.67Å; F454-M488 HydrophobicContact CE1-CE 3.48Å; F454-M488 VanDerWaalsContact CE1-CE 3.48Å; F454-M488 HydrophobicContact CE2-CE 3.72Å; F454-M488 HydrophobicContact CG-CE 3.55Å; F454-M488 HydrophobicContact CZ-CE 3.63Å; F454-L491 HydrophobicContact CE2-CB 4.32Å; F454-L491 HydrophobicContact CZ-CB 4.37Å; F454-L495 HydrophobicContact CE2-CD1 3.77Å; F454-L495 HydrophobicContact CZ-CD1 3.68Å |
| 455 | L | 92.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.016 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60 | -32.5 | 176.8 | -74.4 | 176.8 | 0 | 0 | 0 | 112.9 | S19 P21 I144 V148 F198 D451 L452 | S19-L455 WeakPolarHBondContact O-CD2 3.44Å; P21-L455 HydrophobicContact CG-CB 4.27Å; I144-L455 HydrophobicContact CB-CD2 4.44Å; V148-L455 HydrophobicContact CG2-CD1 4.48Å; F198-L455 HydrophobicContact CE2-CD1 4.46Å; D451-L455 VanDerWaalsContact O-CG 3.29Å; D451-L455 WeakPolarHBondContact O-CG 3.13Å; D451-L455 PolarHBondContact O-N 3.4Å; L452-L455 PolarHBondContact O-N 3.01Å |
| 456 | F | 91.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 24.7 | 177.2 | -74.2 | -96.8 | 0 | 0 | 0 | 113 | P21 Y60 L73 L363 V364 V367 L452 A453 F454 H458 | P21-F456 HydrophobicContact CB-CE2 4.5Å; P21-F456 HydrophobicContact CG-CE2 3.87Å; P21-F456 HydrophobicContact CG-CZ 3.99Å; Y60-F456 HydrophobicContact CE1-CB 3.77Å; Y60-F456 WeakPolarHBondContact CE1-O 3.03Å; L73-F456 HydrophobicContact CD2-CE1 4.1Å; L363-F456 HydrophobicContact CD2-CZ 4.18Å; L363-F456 HydrophobicContact CG-CZ 4.16Å; V364-F456 HydrophobicContact CG2-CE1 4.32Å; V367-F456 HydrophobicContact CB-CD2 4.46Å; V367-F456 HydrophobicContact CB-CE1 4.29Å; V367-F456 HydrophobicContact CB-CE2 4.14Å; V367-F456 HydrophobicContact CB-CZ 4.08Å; V367-F456 HydrophobicContact CG1-CD1 4.03Å; V367-F456 HydrophobicContact CG1-CD2 3.57Å; V367-F456 HydrophobicContact CG1-CE1 4.15Å; V367-F456 HydrophobicContact CG1-CE2 3.72Å; V367-F456 HydrophobicContact CG1-CG 3.75Å; V367-F456 HydrophobicContact CG1-CZ 4.03Å; V367-F456 HydrophobicContact CG2-CD2 4.16Å; V367-F456 HydrophobicContact CG2-CE1 3.89Å; V367-F456 HydrophobicContact CG2-CE2 3.39Å; V367-F456 HydrophobicContact CG2-CZ 3.25Å; L452-F456 HydrophobicContact CD1-CD2 4.13Å; L452-F456 HydrophobicContact CD1-CE2 4.11Å; L452-F456 PolarHBondContact O-N 3.4Å; A453-F456 CarbonylContact O-C 3.51Å; A453-F456 PolarHBondContact O-N 2.77Å; F454-F456 PolarHBondContact O-N 3.38Å; F456-H458 PolarHBondContact O-N 3.32Å; F456-H458 VanDerWaalsContact O-N 3.14Å |
| 457 | Q | 90.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 16.2 Ų | 16.2 | 13% | 0.126 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 16.3 | 168.7 | -48.8 | -173.6 | 8.6 | 0 | 0 | 116.2 | V70 I71 A453 F454 Y459 | V70-Q457 HydrophobicContact CG1-CB 4.39Å; V70-Q457 HydrophobicContact CG1-CG 3.9Å; I71-Q457 PolarHBondContact O-NE2 3.28Å; I71-Q457 PolarHBondContact O-OE1 2.98Å; A453-Q457 PolarHBondContact O-N 3.36Å; F454-Q457 PolarHBondContact O-N 2.71Å; F454-Q457 VanDerWaalsContact O-N 3.08Å; Q457-Y459 HydrophobicContact CB-CE2 3.82Å; Q457-Y459 HydrophobicContact CG-CE2 4.29Å; Q457-Y459 WeakPolarHBondContact CG-OH 3.48Å; Q457-Y459 WeakPolarHBondContact O-CD2 3.22Å; Q457-Y459 PolarHBondContact O-N 3.01Å |
| 458 | H | 91.2 | Very high | 92.6 | Very high | 34 Ų | 34 | 17.9 Ų | 17.9 | 16% | 0.157 | 8% | 0.084 | C | C | . | . | trans | -83.8 | 61.4 | 168.6 | -159.7 | -4.4 | 0 | 0 | 0 | 111.1 | Y60 D62 V68 A453 F456 E460 L461 A462 | Y60-H458 WeakPolarHBondContact OH-CB 3.42Å; D62-H458 IonicContact OD2-NE2 3.24Å; V68-H458 HydrophobicContact CG1-CB 4.03Å; V68-H458 HydrophobicContact CG2-CB 4.5Å; V68-H458 VanDerWaalsContact CG2-CD2 3.43Å; V68-H458 WeakPolarHBondContact CG2-CD2 3.46Å; A453-H458 HydrophobicContact CB-CB 4.31Å; A453-H458 PolarHBondContact O-N 3.06Å; F456-H458 PolarHBondContact O-N 3.32Å; F456-H458 VanDerWaalsContact O-N 3.14Å; H458-E460 VanDerWaalsContact C-N 3.27Å; H458-E460 PolarHBondContact O-N 3.04Å; H458-L461 HydrophobicContact CB-CB 4.45Å; H458-L461 PolarHBondContact O-N 3.29Å; H458-A462 PolarHBondContact O-N 2.75Å; H458-A462 VanDerWaalsContact O-N 3.09Å | ||
| 459 | Y | 90.8 | Very high | 92.6 | Very high | 16 Ų | 16 | 17.3 Ų | 17.3 | 6% | 0.063 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.2 | -33.8 | -170.5 | -59.1 | -56 | 0 | 0 | 0 | 113.9 | F454 Q457 A462 H463 L495 | F454-Y459 AromaticContact CD2-CD1 3.64Å; F454-Y459 HydrophobicContact CD2-CD1 3.64Å; F454-Y459 AromaticContact CD2-CE1 3.92Å; F454-Y459 HydrophobicContact CD2-CE1 3.92Å; F454-Y459 AromaticContact CE2-CD1 3.82Å; F454-Y459 HydrophobicContact CE2-CD1 3.82Å; F454-Y459 AromaticContact CE2-CE1 3.92Å; F454-Y459 HydrophobicContact CE2-CE1 3.92Å; F454-Y459 HydrophobicContact CG-CD1 4.33Å; F454-Y459 HydrophobicContact CG-CE1 4.31Å; F454-Y459 HydrophobicContact CZ-CE1 4.31Å; F454-Y459 WeakPolarHBondContact O-CE1 3.49Å; Q457-Y459 HydrophobicContact CB-CE2 3.82Å; Q457-Y459 HydrophobicContact CG-CE2 4.29Å; Q457-Y459 WeakPolarHBondContact CG-OH 3.48Å; Q457-Y459 WeakPolarHBondContact O-CD2 3.22Å; Q457-Y459 PolarHBondContact O-N 3.01Å; Y459-A462 PolarHBondContact O-N 2.98Å; Y459-H463 VanDerWaalsContact O-CB 3.29Å; Y459-H463 WeakPolarHBondContact O-CB 3.25Å; Y459-H463 PolarHBondContact O-N 2.84Å; Y459-L495 HydrophobicContact CD1-CB 3.9Å; Y459-L495 HydrophobicContact CD1-CD1 4.08Å; Y459-L495 HydrophobicContact CD2-CB 3.71Å; Y459-L495 WeakPolarHBondContact CD2-O 3.35Å; Y459-L495 HydrophobicContact CE1-CB 4.11Å; Y459-L495 HydrophobicContact CE1-CD1 3.66Å; Y459-L495 HydrophobicContact CE2-CB 3.92Å; Y459-L495 HydrophobicContact CG-CB 3.69Å |
| 460 | E | 91.1 | Very high | 92.5 | Very high | 53 Ų | 53 | 19.2 Ų | 19.2 | 25% | 0.248 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 178.1 | -174.6 | 59 | -136.7 | 0 | 0 | 111.8 | H458 H463 Q464 S498 R499 | H458-E460 VanDerWaalsContact C-N 3.27Å; H458-E460 PolarHBondContact O-N 3.04Å; E460-H463 PolarHBondContact O-N 3.12Å; E460-Q464 VanDerWaalsContact O-CG 3.29Å; E460-Q464 WeakPolarHBondContact O-CG 3.11Å; E460-Q464 PolarHBondContact O-N 2.63Å; E460-Q464 VanDerWaalsContact O-N 3.12Å; E460-Q464 PolarHBondContact OE1-NE2 3.09Å; E460-S498 PolarHBondContact OE2-OG 3.43Å; E460-R499 IonicContact OE1-CZ 2.69Å; E460-R499 IonicContact OE1-NE 3.77Å; E460-R499 IonicContact OE1-NH2 3.66Å; E460-R499 PolarHBondContact OE1-NH2 3.02Å; E460-R499 IonicContact OE2-NE 2.92Å |
| 461 | L | 91.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 25 Ų | 25 | 11% | 0.105 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 175.4 | 176.6 | 61.6 | 0 | 0 | 0 | 110.8 | A453 H458 H463 Q464 I465 | A453-L461 HydrophobicContact CB-CD2 4.13Å; A453-L461 HydrophobicContact CB-CG 4.33Å; H458-L461 HydrophobicContact CB-CB 4.45Å; H458-L461 PolarHBondContact O-N 3.29Å; L461-H463 VanDerWaalsContact C-N 3.33Å; L461-H463 PolarHBondContact O-N 3.02Å; L461-Q464 PolarHBondContact O-N 3.48Å; L461-I465 HydrophobicContact CD1-CD1 3.92Å; L461-I465 HydrophobicContact CD1-CG1 4.39Å; L461-I465 HydrophobicContact CG-CD1 3.94Å; L461-I465 WeakPolarHBondContact O-CD1 3.15Å; L461-I465 WeakPolarHBondContact O-CG1 3.32Å; L461-I465 PolarHBondContact O-N 3.25Å |
| 462 | A | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.6 | -48.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A450 A453 F454 H458 Y459 Q464 I465 Y466 | A450-A462 WeakPolarHBondContact O-CB 3.25Å; A453-A462 HydrophobicContact CB-CB 4.15Å; F454-A462 HydrophobicContact CB-CB 3.94Å; F454-A462 HydrophobicContact CD2-CB 4.43Å; H458-A462 PolarHBondContact O-N 2.75Å; H458-A462 VanDerWaalsContact O-N 3.09Å; Y459-A462 PolarHBondContact O-N 2.98Å; A462-Q464 PolarHBondContact O-N 2.76Å; A462-I465 PolarHBondContact O-N 3.37Å; A462-Y466 HydrophobicContact CB-CD2 4.31Å; A462-Y466 HydrophobicContact CB-CE2 3.83Å; A462-Y466 WeakPolarHBondContact O-CD2 3.24Å; A462-Y466 PolarHBondContact O-N 2.82Å |
| 463 | H | 92.7 | Very high | 92 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.1 | -46.8 | 178.7 | 179.9 | 84.5 | 0 | 0 | 0 | 112.6 | Y459 E460 L461 I465 Y466 H467 A489 S492 G493 R499 | Y459-H463 VanDerWaalsContact O-CB 3.29Å; Y459-H463 WeakPolarHBondContact O-CB 3.25Å; Y459-H463 PolarHBondContact O-N 2.84Å; E460-H463 PolarHBondContact O-N 3.12Å; L461-H463 VanDerWaalsContact C-N 3.33Å; L461-H463 PolarHBondContact O-N 3.02Å; H463-I465 PolarHBondContact O-N 3.42Å; H463-Y466 PolarHBondContact O-N 3.32Å; H463-H467 VanDerWaalsContact O-CB 3.23Å; H463-H467 WeakPolarHBondContact O-CB 3.37Å; H463-H467 PolarHBondContact O-N 2.92Å; H463-A489 PolarHBondContact CE1-O 2.71Å; H463-A489 PolarHBondContact ND1-O 3.47Å; H463-S492 WeakPolarHBondContact CA-OG 3.24Å; H463-S492 VanDerWaalsContact CB-OG 3.29Å; H463-S492 WeakPolarHBondContact CB-OG 3.39Å; H463-S492 PolarHBondContact ND1-OG 2.89Å; H463-G493 WeakPolarHBondContact ND1-CA 3.45Å; H463-G493 PolarHBondContact ND1-N 3.48Å; H463-R499 VanDerWaalsContact CD2-CZ 3.44Å; H463-R499 PolarHBondContact CD2-NH1 2.8Å; H463-R499 PolarHBondContact NE2-NH1 3.37Å |
| 464 | Q | 92 | Very high | 92 | Very high | 99 Ų | 99 | 35.2 Ų | 35.2 | 46% | 0.463 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.1 | -39.4 | 179.9 | -71.5 | 172.2 | 19.7 | 0 | 0 | 111.8 | E460 L461 A462 M468 | E460-Q464 VanDerWaalsContact O-CG 3.29Å; E460-Q464 WeakPolarHBondContact O-CG 3.11Å; E460-Q464 PolarHBondContact O-N 2.63Å; E460-Q464 VanDerWaalsContact O-N 3.12Å; E460-Q464 PolarHBondContact OE1-NE2 3.09Å; L461-Q464 PolarHBondContact O-N 3.48Å; A462-Q464 PolarHBondContact O-N 2.76Å; Q464-M468 WeakPolarHBondContact O-CB 3.37Å; Q464-M468 PolarHBondContact O-N 3.39Å |
| 465 | I | 93.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.046 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.5 | -47.5 | 178.7 | -59 | 160.1 | 0 | 0 | 0 | 110.8 | G446 L449 A450 L461 A462 H463 H467 M468 L469 | G446-I465 WeakPolarHBondContact O-CG2 3.5Å; L449-I465 HydrophobicContact CB-CD1 4.27Å; L449-I465 HydrophobicContact CD2-CD1 3.57Å; L449-I465 HydrophobicContact CG-CD1 3.58Å; A450-I465 HydrophobicContact CB-CB 3.85Å; A450-I465 HydrophobicContact CB-CD1 4.3Å; A450-I465 HydrophobicContact CB-CG2 3.78Å; L461-I465 HydrophobicContact CD1-CD1 3.92Å; L461-I465 HydrophobicContact CD1-CG1 4.39Å; L461-I465 HydrophobicContact CG-CD1 3.94Å; L461-I465 WeakPolarHBondContact O-CD1 3.15Å; L461-I465 WeakPolarHBondContact O-CG1 3.32Å; L461-I465 PolarHBondContact O-N 3.25Å; A462-I465 PolarHBondContact O-N 3.37Å; H463-I465 PolarHBondContact O-N 3.42Å; I465-H467 PolarHBondContact O-N 2.74Å; I465-M468 HydrophobicContact CG2-CE 4.45Å; I465-M468 WeakPolarHBondContact O-CB 2.99Å; I465-M468 PolarHBondContact O-N 3.34Å; I465-L469 HydrophobicContact CG2-CD1 3.83Å; I465-L469 HydrophobicContact CG2-CG 4.21Å; I465-L469 WeakPolarHBondContact O-CG 3.35Å; I465-L469 PolarHBondContact O-N 3.05Å |
| 466 | Y | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 177.7 | -64.8 | -52.4 | 0 | 0 | 0 | 112.7 | R447 A450 D451 A462 H463 M468 L469 R470 M488 | R447-Y466 VanDerWaalsContact CZ-CE1 3.46Å; R447-Y466 VanDerWaalsContact NH1-CD1 3.29Å; A450-Y466 HydrophobicContact CB-CD1 3.67Å; A450-Y466 HydrophobicContact CB-CD2 4.29Å; A450-Y466 HydrophobicContact CB-CE1 3.28Å; A450-Y466 HydrophobicContact CB-CE2 3.95Å; A450-Y466 HydrophobicContact CB-CG 4.16Å; A450-Y466 VanDerWaalsContact CB-CZ 3.46Å; A450-Y466 PolarHBondContact O-OH 2.82Å; D451-Y466 VanDerWaalsContact CA-OH 3.25Å; D451-Y466 WeakPolarHBondContact CA-OH 3.27Å; D451-Y466 PolarHBondContact N-OH 3.28Å; D451-Y466 VanDerWaalsContact OD1-CE1 3.29Å; D451-Y466 WeakPolarHBondContact OD1-CE1 3.41Å; D451-Y466 VanDerWaalsContact OD1-CZ 3.27Å; D451-Y466 PolarHBondContact OD1-OH 3.15Å; A462-Y466 HydrophobicContact CB-CD2 4.31Å; A462-Y466 HydrophobicContact CB-CE2 3.83Å; A462-Y466 WeakPolarHBondContact O-CD2 3.24Å; A462-Y466 PolarHBondContact O-N 2.82Å; H463-Y466 PolarHBondContact O-N 3.32Å; Y466-M468 PolarHBondContact O-N 3.39Å; Y466-L469 PolarHBondContact O-N 2.99Å; Y466-R470 WeakPolarHBondContact O-CB 3.3Å; Y466-R470 PolarHBondContact O-N 2.78Å; Y466-M488 HydrophobicContact CD1-CB 3.88Å; Y466-M488 HydrophobicContact CD2-CB 3.61Å; Y466-M488 HydrophobicContact CE1-CB 3.72Å; Y466-M488 HydrophobicContact CE1-CG 4.17Å; Y466-M488 HydrophobicContact CE2-CB 3.45Å; Y466-M488 VanDerWaalsContact CE2-CB 3.45Å; Y466-M488 HydrophobicContact CE2-CE 4.08Å; Y466-M488 HydrophobicContact CE2-CG 4.3Å; Y466-M488 HydrophobicContact CG-CB 3.82Å; Y466-M488 VanDerWaalsContact CZ-CB 3.49Å; Y466-M488 WeakPolarHBondContact OH-CE 3.35Å |
| 467 | H | 91.8 | Very high | 91.7 | Very high | 53 Ų | 53 | 49.3 Ų | 49.3 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -37.4 | 178 | -178.5 | 83.8 | 0 | 0 | 0 | 111.8 | H463 I465 K471 Y505 | H463-H467 VanDerWaalsContact O-CB 3.23Å; H463-H467 WeakPolarHBondContact O-CB 3.37Å; H463-H467 PolarHBondContact O-N 2.92Å; I465-H467 PolarHBondContact O-N 2.74Å; H467-K471 PolarHBondContact NE2-NZ 2.85Å; H467-Y505 PolarHBondContact CE1-OH 3.33Å; H467-Y505 AromaticContact ND1-CE2 3.91Å; H467-Y505 PolarHBondContact ND1-OH 2.94Å |
| 468 | M | 92.6 | Very high | 91.7 | Very high | 44 Ų | 44 | 48 Ų | 48 | 22% | 0.217 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.2 | -53 | 175.8 | 178.5 | -110.4 | -60.7 | 0 | 0 | 111.4 | W442 Q464 I465 Y466 R470 K471 | W442-M468 HydrophobicContact CH2-CE 4.48Å; W442-M468 HydrophobicContact CZ2-CE 4.14Å; W442-M468 HydrophobicContact CZ2-SD 3.88Å; Q464-M468 WeakPolarHBondContact O-CB 3.37Å; Q464-M468 PolarHBondContact O-N 3.39Å; I465-M468 HydrophobicContact CG2-CE 4.45Å; I465-M468 WeakPolarHBondContact O-CB 2.99Å; I465-M468 PolarHBondContact O-N 3.34Å; Y466-M468 PolarHBondContact O-N 3.39Å; M468-R470 VanDerWaalsContact C-N 3.27Å; M468-R470 PolarHBondContact O-N 2.92Å; M468-K471 PolarHBondContact O-N 3.25Å |
| 469 | L | 92.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.7 | -40 | -179.6 | -73.4 | 172.8 | 0 | 0 | 0 | 112.4 | R447 I465 Y466 K471 E472 L473 | R447-L469 HydrophobicContact CB-CD1 4.31Å; I465-L469 HydrophobicContact CG2-CD1 3.83Å; I465-L469 HydrophobicContact CG2-CG 4.21Å; I465-L469 WeakPolarHBondContact O-CG 3.35Å; I465-L469 PolarHBondContact O-N 3.05Å; Y466-L469 PolarHBondContact O-N 2.99Å; L469-K471 VanDerWaalsContact C-N 3.28Å; L469-K471 PolarHBondContact O-N 3.49Å; L469-E472 PolarHBondContact O-N 3.42Å; L469-E472 VanDerWaalsContact O-N 3.13Å; L469-L473 HydrophobicContact CB-CD1 4.11Å; L469-L473 WeakPolarHBondContact O-CB 3.5Å; L469-L473 VanDerWaalsContact O-CG 3.24Å; L469-L473 WeakPolarHBondContact O-CG 3.39Å; L469-L473 PolarHBondContact O-N 3.22Å |
| 470 | R | 93.5 | Very high | 91.8 | Very high | 39 Ų | 39 | 52 Ų | 52 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.2 | -45.3 | 178.8 | -174.8 | -168.4 | 75.4 | 85.6 | -3 | 112.4 | Y466 M468 Y474 Y482 A485 C486 | Y466-R470 WeakPolarHBondContact O-CB 3.3Å; Y466-R470 PolarHBondContact O-N 2.78Å; M468-R470 VanDerWaalsContact C-N 3.27Å; M468-R470 PolarHBondContact O-N 2.92Å; R470-Y474 WeakPolarHBondContact O-CB 3.35Å; R470-Y474 PolarHBondContact O-N 2.94Å; R470-Y482 HydrophobicContact CG-CD2 3.71Å; R470-Y482 HydrophobicContact CG-CE2 3.41Å; R470-Y482 VanDerWaalsContact CG-CE2 3.41Å; R470-Y482 PolarHBondContact NH1-OH 3.04Å; R470-Y482 VanDerWaalsContact O-CD2 3.31Å; R470-Y482 WeakPolarHBondContact O-CD2 3.47Å; R470-A485 HydrophobicContact CB-CB 3.95Å; R470-C486 WeakPolarHBondContact CD-SG 3.37Å; R470-C486 VanDerWaalsContact CG-SG 3.52Å |
| 471 | K | 91.1 | Very high | 91.8 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 53% | 0.526 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.8 | -39.9 | -178.3 | -69.6 | 178.3 | -178.7 | 170.9 | 0 | 111.5 | H467 M468 L469 A475 | H467-K471 PolarHBondContact NE2-NZ 2.85Å; M468-K471 PolarHBondContact O-N 3.25Å; L469-K471 VanDerWaalsContact C-N 3.28Å; L469-K471 PolarHBondContact O-N 3.49Å; K471-A475 PolarHBondContact O-N 3.43Å |
| 472 | E | 89.1 | Confident | 92 | Very high | 82 Ų | 82 | 50 Ų | 50 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.8 | -44.9 | 179.6 | -60.1 | -151 | 165.5 | 0 | 0 | 111.8 | W442 L469 Y474 A475 Q476 | W442-E472 PolarHBondContact NE1-OE2 3.34Å; L469-E472 PolarHBondContact O-N 3.42Å; L469-E472 VanDerWaalsContact O-N 3.13Å; E472-Y474 VanDerWaalsContact C-N 3.29Å; E472-Y474 PolarHBondContact O-N 3.17Å; E472-A475 WeakPolarHBondContact O-CB 3.45Å; E472-A475 PolarHBondContact O-N 2.92Å; E472-A475 VanDerWaalsContact O-N 3.08Å; E472-Q476 WeakPolarHBondContact O-CG 3.35Å; E472-Q476 PolarHBondContact O-N 3.42Å |
| 473 | L | 91.6 | Very high | 92.1 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.5 | -34.7 | 178.4 | -66.8 | 167.5 | 0 | 0 | 0 | 112.2 | F437 E443 L469 Q476 Q477 A478 N481 A485 | F437-L473 HydrophobicContact CE2-CD2 3.91Å; F437-L473 HydrophobicContact CZ-CD2 3.91Å; E443-L473 HydrophobicContact CB-CD2 4.21Å; E443-L473 HydrophobicContact CG-CD2 4.14Å; L469-L473 HydrophobicContact CB-CD1 4.11Å; L469-L473 WeakPolarHBondContact O-CB 3.5Å; L469-L473 VanDerWaalsContact O-CG 3.24Å; L469-L473 WeakPolarHBondContact O-CG 3.39Å; L469-L473 PolarHBondContact O-N 3.22Å; L473-Q476 PolarHBondContact O-N 3.33Å; L473-Q477 PolarHBondContact O-N 2.83Å; L473-A478 HydrophobicContact CB-CB 4.49Å; L473-A478 HydrophobicContact CD2-CB 4.05Å; L473-A478 PolarHBondContact O-N 2.99Å; L473-N481 HydrophobicContact CD1-CB 3.88Å; L473-N481 HydrophobicContact CD2-CB 3.82Å; L473-N481 HydrophobicContact CG-CB 4.34Å; L473-A485 HydrophobicContact CD1-CB 3.99Å |
| 474 | Y | 93 | Very high | 92.1 | Very high | 128 Ų | 128 | 49.9 Ų | 49.9 | 50% | 0.502 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 171 | -174.1 | -92.6 | 0 | 0 | 0 | 111.6 | R470 E472 Q476 Q477 W479 Y482 | R470-Y474 WeakPolarHBondContact O-CB 3.35Å; R470-Y474 PolarHBondContact O-N 2.94Å; E472-Y474 VanDerWaalsContact C-N 3.29Å; E472-Y474 PolarHBondContact O-N 3.17Å; Y474-Q476 PolarHBondContact O-N 2.9Å; Y474-Q477 PolarHBondContact O-N 3.46Å; Y474-W479 HydrophobicContact CD2-CH2 4.29Å; Y474-W479 AromaticContact CD2-CZ3 3.72Å; Y474-W479 HydrophobicContact CD2-CZ3 3.72Å; Y474-W479 AromaticContact CE2-CH2 3.94Å; Y474-W479 HydrophobicContact CE2-CH2 3.94Å; Y474-W479 AromaticContact CE2-CZ3 3.64Å; Y474-W479 HydrophobicContact CE2-CZ3 3.64Å; Y474-Y482 HydrophobicContact CD2-CD1 4.44Å; Y474-Y482 HydrophobicContact CD2-CD2 4.04Å; Y474-Y482 HydrophobicContact CD2-CE1 4.08Å; Y474-Y482 AromaticContact CD2-CE2 3.6Å; Y474-Y482 HydrophobicContact CD2-CE2 3.6Å; Y474-Y482 HydrophobicContact CD2-CG 4.43Å; Y474-Y482 AromaticContact CD2-CZ 3.65Å; Y474-Y482 HydrophobicContact CG-CD2 4.35Å; Y474-Y482 HydrophobicContact CG-CE2 4.05Å |
| 475 | A | 90.3 | Very high | 92.2 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 68% | 0.678 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -62.8 | -29.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K471 E472 | K471-A475 PolarHBondContact O-N 3.43Å; E472-A475 WeakPolarHBondContact O-CB 3.45Å; E472-A475 PolarHBondContact O-N 2.92Å; E472-A475 VanDerWaalsContact O-N 3.08Å |
| 476 | Q | 88.1 | Confident | 92.3 | Very high | 87 Ų | 87 | 44.8 Ų | 44.8 | 41% | 0.407 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 0.9 | 175.8 | -62.8 | -179.6 | 22.8 | 0 | 0 | 113.6 | E443 E472 L473 Y474 A478 | E443-Q476 PolarHBondContact OE1-NE2 3.33Å; E472-Q476 WeakPolarHBondContact O-CG 3.35Å; E472-Q476 PolarHBondContact O-N 3.42Å; L473-Q476 PolarHBondContact O-N 3.33Å; Y474-Q476 PolarHBondContact O-N 2.9Å; Q476-A478 PolarHBondContact O-N 3.07Å; Q476-A478 VanDerWaalsContact O-N 3.14Å |
| 477 | Q | 91.5 | Very high | 92.3 | Very high | 131 Ų | 131 | 44.9 Ų | 44.9 | 61% | 0.612 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 28.5 | -175 | -59.5 | -173.2 | -32.5 | 0 | 0 | 114 | L473 Y474 W479 | L473-Q477 PolarHBondContact O-N 2.83Å; Y474-Q477 PolarHBondContact O-N 3.46Å; Q477-W479 HydrophobicContact CB-CZ2 4.03Å; Q477-W479 HydrophobicContact CG-CZ2 3.93Å; Q477-W479 VanDerWaalsContact O-CD1 3.29Å; Q477-W479 PolarHBondContact O-N 3.04Å |
| 478 | A | 90.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | trans | -81 | 64.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F437 L473 Q476 F480 N481 Y482 | F437-A478 HydrophobicContact CE2-CB 3.58Å; F437-A478 HydrophobicContact CZ-CB 3.83Å; L473-A478 HydrophobicContact CB-CB 4.49Å; L473-A478 HydrophobicContact CD2-CB 4.05Å; L473-A478 PolarHBondContact O-N 2.99Å; Q476-A478 PolarHBondContact O-N 3.07Å; Q476-A478 VanDerWaalsContact O-N 3.14Å; A478-F480 VanDerWaalsContact C-N 3.3Å; A478-F480 PolarHBondContact O-N 3.48Å; A478-F480 VanDerWaalsContact O-N 3.14Å; A478-N481 HydrophobicContact CB-CB 4.32Å; A478-N481 PolarHBondContact O-N 2.91Å; A478-Y482 PolarHBondContact O-N 3.19Å | ||
| 479 | W | 92.5 | Very high | 92.4 | Very high | 79 Ų | 79 | 40.3 Ų | 40.3 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -51.1 | -42.9 | -166.8 | -60 | 119.9 | 0 | 0 | 0 | 114.5 | Y474 Q477 N481 Y482 A483 T512 V516 | Y474-W479 HydrophobicContact CD2-CH2 4.29Å; Y474-W479 AromaticContact CD2-CZ3 3.72Å; Y474-W479 HydrophobicContact CD2-CZ3 3.72Å; Y474-W479 AromaticContact CE2-CH2 3.94Å; Y474-W479 HydrophobicContact CE2-CH2 3.94Å; Y474-W479 AromaticContact CE2-CZ3 3.64Å; Y474-W479 HydrophobicContact CE2-CZ3 3.64Å; Q477-W479 HydrophobicContact CB-CZ2 4.03Å; Q477-W479 HydrophobicContact CG-CZ2 3.93Å; Q477-W479 VanDerWaalsContact O-CD1 3.29Å; Q477-W479 PolarHBondContact O-N 3.04Å; W479-N481 PolarHBondContact O-N 3.02Å; W479-Y482 HydrophobicContact CE3-CD1 4.2Å; W479-Y482 PolarHBondContact O-N 3.31Å; W479-A483 WeakPolarHBondContact O-CB 3.34Å; W479-A483 PolarHBondContact O-N 2.85Å; W479-T512 HydrophobicContact CB-CG2 3.83Å; W479-T512 HydrophobicContact CE3-CG2 4.31Å; W479-T512 WeakPolarHBondContact O-CG2 3.48Å; W479-V516 HydrophobicContact CB-CG1 3.89Å; W479-V516 HydrophobicContact CD2-CG1 4.15Å; W479-V516 HydrophobicContact CG-CG1 3.61Å |
| 480 | F | 90.7 | Very high | 92.3 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 24% | 0.237 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | 179.9 | -165.5 | -122.8 | 0 | 0 | 0 | 112.4 | N140 H141 A478 G484 Y513 C517 T519 L522 | N140-F480 HydrophobicContact CB-CE1 4.17Å; H141-F480 HydrophobicContact CB-CD1 3.72Å; H141-F480 HydrophobicContact CB-CE1 3.96Å; H141-F480 HydrophobicContact CB-CG 4.49Å; H141-F480 AromaticContact CE1-CE1 3.96Å; H141-F480 AromaticContact CE1-CZ 3.69Å; H141-F480 AromaticContact CG-CD1 3.84Å; H141-F480 AromaticContact CG-CE1 3.8Å; H141-F480 AromaticContact ND1-CD1 3.35Å; H141-F480 VanDerWaalsContact ND1-CD1 3.35Å; H141-F480 WeakPolarHBondContact ND1-CD1 3.11Å; H141-F480 AromaticContact ND1-CD2 3.99Å; H141-F480 AromaticContact ND1-CE1 2.94Å; H141-F480 WeakPolarHBondContact ND1-CE1 3.21Å; H141-F480 AromaticContact ND1-CE2 3.63Å; H141-F480 AromaticContact ND1-CG 3.87Å; H141-F480 AromaticContact ND1-CZ 3.09Å; H141-F480 WeakPolarHBondContact ND1-CZ 3.38Å; A478-F480 VanDerWaalsContact C-N 3.3Å; A478-F480 PolarHBondContact O-N 3.48Å; A478-F480 VanDerWaalsContact O-N 3.14Å; F480-G484 PolarHBondContact O-N 2.93Å; F480-Y513 HydrophobicContact CD2-CD1 4.3Å; F480-Y513 HydrophobicContact CD2-CE1 4.14Å; F480-Y513 HydrophobicContact CE2-CD1 4.36Å; F480-Y513 HydrophobicContact CE2-CE1 4.17Å; F480-C517 VanDerWaalsContact CA-SG 3.6Å; F480-C517 HydrophobicContact CD2-CB 4.09Å; F480-T519 HydrophobicContact CE2-CG2 4.01Å; F480-L522 HydrophobicContact CE2-CD1 3.44Å; F480-L522 VanDerWaalsContact CE2-CD1 3.44Å; F480-L522 HydrophobicContact CZ-CD1 3.76Å |
| 481 | N | 91.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.2 | -37.1 | 176.7 | -66.1 | -70.5 | 0 | 0 | 0 | 111.7 | H141 M444 L473 A478 W479 G484 A485 | H141-N481 WeakPolarHBondContact CB-OD1 3.42Å; M444-N481 VanDerWaalsContact CE-OD1 3.3Å; M444-N481 WeakPolarHBondContact CE-OD1 3.28Å; L473-N481 HydrophobicContact CD1-CB 3.88Å; L473-N481 HydrophobicContact CD2-CB 3.82Å; L473-N481 HydrophobicContact CG-CB 4.34Å; A478-N481 HydrophobicContact CB-CB 4.32Å; A478-N481 PolarHBondContact O-N 2.91Å; W479-N481 PolarHBondContact O-N 3.02Å; N481-G484 PolarHBondContact O-N 3.35Å; N481-A485 WeakPolarHBondContact O-CB 3.5Å; N481-A485 PolarHBondContact O-N 3.25Å |
| 482 | Y | 95.4 | Very high | 92.1 | Very high | 18 Ų | 18 | 33 Ų | 33 | 7% | 0.071 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.5 | -47.9 | 174.4 | 167.9 | -103.9 | 0 | 0 | 0 | 111.4 | R470 Y474 A478 W479 G484 A485 C486 A508 T512 | R470-Y482 HydrophobicContact CG-CD2 3.71Å; R470-Y482 HydrophobicContact CG-CE2 3.41Å; R470-Y482 VanDerWaalsContact CG-CE2 3.41Å; R470-Y482 PolarHBondContact NH1-OH 3.04Å; R470-Y482 VanDerWaalsContact O-CD2 3.31Å; R470-Y482 WeakPolarHBondContact O-CD2 3.47Å; Y474-Y482 HydrophobicContact CD2-CD1 4.44Å; Y474-Y482 HydrophobicContact CD2-CD2 4.04Å; Y474-Y482 HydrophobicContact CD2-CE1 4.08Å; Y474-Y482 AromaticContact CD2-CE2 3.6Å; Y474-Y482 HydrophobicContact CD2-CE2 3.6Å; Y474-Y482 HydrophobicContact CD2-CG 4.43Å; Y474-Y482 AromaticContact CD2-CZ 3.65Å; Y474-Y482 HydrophobicContact CG-CD2 4.35Å; Y474-Y482 HydrophobicContact CG-CE2 4.05Å; A478-Y482 PolarHBondContact O-N 3.19Å; W479-Y482 HydrophobicContact CE3-CD1 4.2Å; W479-Y482 PolarHBondContact O-N 3.31Å; Y482-G484 VanDerWaalsContact C-N 3.33Å; Y482-G484 PolarHBondContact O-N 3.08Å; Y482-A485 PolarHBondContact O-N 3.01Å; Y482-A485 VanDerWaalsContact O-N 3.17Å; Y482-C486 VanDerWaalsContact CE2-SG 3.54Å; Y482-C486 PolarHBondContact O-N 2.94Å; Y482-C486 PolarHBondContact O-SG 3.18Å; Y482-C486 VanDerWaalsContact O-SG 3.33Å; Y482-A508 HydrophobicContact CE1-CB 4.43Å; Y482-T512 HydrophobicContact CD1-CG2 4.24Å |
| 483 | A | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | W479 A485 C486 E487 A509 T512 Y513 | W479-A483 WeakPolarHBondContact O-CB 3.34Å; W479-A483 PolarHBondContact O-N 2.85Å; A483-A485 VanDerWaalsContact C-N 3.34Å; A483-A485 PolarHBondContact O-N 3.19Å; A483-C486 WeakPolarHBondContact O-CB 3.47Å; A483-C486 PolarHBondContact O-N 2.97Å; A483-E487 PolarHBondContact O-N 3.45Å; A483-A509 WeakPolarHBondContact O-CB 3.37Å; A483-T512 HydrophobicContact CB-CG2 3.95Å; A483-Y513 HydrophobicContact CB-CD1 3.72Å; A483-Y513 HydrophobicContact CB-CD2 3.96Å; A483-Y513 HydrophobicContact CB-CE1 3.51Å; A483-Y513 HydrophobicContact CB-CE2 3.76Å; A483-Y513 HydrophobicContact CB-CG 3.94Å |
| 484 | G | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67 | -32 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R447 F480 N481 Y482 M488 Y513 | R447-G484 PolarHBondContact NH1-O 3.13Å; R447-G484 PolarHBondContact NH2-O 3.3Å; F480-G484 PolarHBondContact O-N 2.93Å; N481-G484 PolarHBondContact O-N 3.35Å; Y482-G484 VanDerWaalsContact C-N 3.33Å; Y482-G484 PolarHBondContact O-N 3.08Å; G484-M488 WeakPolarHBondContact O-CG 3.46Å; G484-M488 PolarHBondContact O-N 3.48Å; G484-M488 VanDerWaalsContact O-N 3.16Å; G484-Y513 WeakPolarHBondContact CA-OH 3.47Å; G484-Y513 PolarHBondContact N-OH 3.19Å |
| 485 | A | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.5 | -39.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R470 L473 N481 Y482 A483 A489 | R470-A485 HydrophobicContact CB-CB 3.95Å; L473-A485 HydrophobicContact CD1-CB 3.99Å; N481-A485 WeakPolarHBondContact O-CB 3.5Å; N481-A485 PolarHBondContact O-N 3.25Å; Y482-A485 PolarHBondContact O-N 3.01Å; Y482-A485 VanDerWaalsContact O-N 3.17Å; A483-A485 VanDerWaalsContact C-N 3.34Å; A483-A485 PolarHBondContact O-N 3.19Å; A485-A489 WeakPolarHBondContact O-CB 3.31Å; A485-A489 PolarHBondContact O-N 3.41Å |
| 486 | C | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.7 | -51.1 | 173.3 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | R470 Y482 A483 M488 A489 S490 Y505 A509 | R470-C486 WeakPolarHBondContact CD-SG 3.37Å; R470-C486 VanDerWaalsContact CG-SG 3.52Å; Y482-C486 VanDerWaalsContact CE2-SG 3.54Å; Y482-C486 PolarHBondContact O-N 2.94Å; Y482-C486 PolarHBondContact O-SG 3.18Å; Y482-C486 VanDerWaalsContact O-SG 3.33Å; A483-C486 WeakPolarHBondContact O-CB 3.47Å; A483-C486 PolarHBondContact O-N 2.97Å; C486-M488 PolarHBondContact O-N 3.11Å; C486-A489 PolarHBondContact O-N 3.31Å; C486-S490 PolarHBondContact O-N 3.22Å; C486-S490 VanDerWaalsContact O-N 3.11Å; C486-Y505 WeakPolarHBondContact CB-O 3.18Å; C486-A509 HydrophobicContact CB-CB 3.99Å |
| 487 | E | 94.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.7 | -55.7 | 179.6 | -178 | -177.5 | 165.1 | 0 | 0 | 110.4 | A483 A489 S490 L491 M506 A509 Y513 R525 L529 | A483-E487 PolarHBondContact O-N 3.45Å; E487-A489 PolarHBondContact O-N 3.31Å; E487-S490 WeakPolarHBondContact O-CB 3.47Å; E487-S490 PolarHBondContact O-N 3.29Å; E487-L491 HydrophobicContact CG-CD1 4.22Å; E487-L491 WeakPolarHBondContact O-CG 3.37Å; E487-L491 PolarHBondContact O-N 2.83Å; E487-M506 HydrophobicContact CB-SD 4.3Å; E487-M506 HydrophobicContact CG-CE 4.11Å; E487-M506 HydrophobicContact CG-SD 4.02Å; E487-A509 HydrophobicContact CB-CB 4.07Å; E487-Y513 WeakPolarHBondContact OE2-CE2 3.47Å; E487-Y513 PolarHBondContact OE2-OH 3.12Å; E487-R525 VanDerWaalsContact CD-NH2 3.25Å; E487-R525 IonicContact OE1-CZ 3.2Å; E487-R525 VanDerWaalsContact OE1-CZ 3.3Å; E487-R525 IonicContact OE1-NE 3.78Å; E487-R525 PolarHBondContact OE1-NE 3.42Å; E487-R525 IonicContact OE1-NH2 3.5Å; E487-R525 PolarHBondContact OE1-NH2 3.15Å; E487-R525 VanDerWaalsContact OE1-NH2 3.09Å; E487-R525 IonicContact OE2-CZ 2.69Å; E487-R525 IonicContact OE2-NE 3.51Å; E487-R525 PolarHBondContact OE2-NE 3.25Å; E487-R525 IonicContact OE2-NH2 2.97Å; E487-R525 PolarHBondContact OE2-NH2 3.35Å; E487-L529 VanDerWaalsContact OE1-CD1 3.28Å; E487-L529 WeakPolarHBondContact OE1-CD1 3.46Å |
| 488 | M | 93.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.8 | -31.6 | -176.4 | -67.4 | -56.5 | -68.3 | 0 | 0 | 113.7 | I144 F454 Y466 G484 C486 S490 L491 S492 | I144-M488 HydrophobicContact CD1-SD 4.3Å; I144-M488 HydrophobicContact CG2-CE 3.97Å; F454-M488 HydrophobicContact CB-CE 4.31Å; F454-M488 HydrophobicContact CD1-CE 3.47Å; F454-M488 VanDerWaalsContact CD1-CE 3.47Å; F454-M488 HydrophobicContact CD2-CE 3.67Å; F454-M488 HydrophobicContact CE1-CE 3.48Å; F454-M488 VanDerWaalsContact CE1-CE 3.48Å; F454-M488 HydrophobicContact CE2-CE 3.72Å; F454-M488 HydrophobicContact CG-CE 3.55Å; F454-M488 HydrophobicContact CZ-CE 3.63Å; Y466-M488 HydrophobicContact CD1-CB 3.88Å; Y466-M488 HydrophobicContact CD2-CB 3.61Å; Y466-M488 HydrophobicContact CE1-CB 3.72Å; Y466-M488 HydrophobicContact CE1-CG 4.17Å; Y466-M488 HydrophobicContact CE2-CB 3.45Å; Y466-M488 VanDerWaalsContact CE2-CB 3.45Å; Y466-M488 HydrophobicContact CE2-CE 4.08Å; Y466-M488 HydrophobicContact CE2-CG 4.3Å; Y466-M488 HydrophobicContact CG-CB 3.82Å; Y466-M488 VanDerWaalsContact CZ-CB 3.49Å; Y466-M488 WeakPolarHBondContact OH-CE 3.35Å; G484-M488 WeakPolarHBondContact O-CG 3.46Å; G484-M488 PolarHBondContact O-N 3.48Å; G484-M488 VanDerWaalsContact O-N 3.16Å; C486-M488 PolarHBondContact O-N 3.11Å; M488-S490 VanDerWaalsContact C-N 3.27Å; M488-S490 PolarHBondContact O-N 3.13Å; M488-L491 PolarHBondContact O-N 3.1Å; M488-L491 HydrophobicContact SD-CD1 3.92Å; M488-S492 VanDerWaalsContact O-CB 3.26Å; M488-S492 WeakPolarHBondContact O-CB 3.38Å; M488-S492 PolarHBondContact O-N 2.89Å; M488-S492 PolarHBondContact O-OG 3.43Å |
| 489 | A | 92.8 | Very high | 88 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | H463 A485 C486 E487 S492 G493 Y505 | H463-A489 PolarHBondContact CE1-O 2.71Å; H463-A489 PolarHBondContact ND1-O 3.47Å; A485-A489 WeakPolarHBondContact O-CB 3.31Å; A485-A489 PolarHBondContact O-N 3.41Å; C486-A489 PolarHBondContact O-N 3.31Å; E487-A489 PolarHBondContact O-N 3.31Å; A489-S492 PolarHBondContact O-OG 3.04Å; A489-G493 PolarHBondContact O-N 3.14Å; A489-Y505 HydrophobicContact CB-CD2 3.94Å; A489-Y505 HydrophobicContact CB-CE2 4.26Å |
| 490 | S | 90.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.1 | -48.7 | 176.2 | -165.9 | 0 | 0 | 0 | 0 | 111.8 | C486 E487 M488 G493 R494 Y501 L502 | C486-S490 PolarHBondContact O-N 3.22Å; C486-S490 VanDerWaalsContact O-N 3.11Å; E487-S490 WeakPolarHBondContact O-CB 3.47Å; E487-S490 PolarHBondContact O-N 3.29Å; M488-S490 VanDerWaalsContact C-N 3.27Å; M488-S490 PolarHBondContact O-N 3.13Å; S490-G493 PolarHBondContact O-N 3.25Å; S490-R494 PolarHBondContact O-N 2.79Å; S490-R494 VanDerWaalsContact O-N 3.08Å; S490-Y501 WeakPolarHBondContact OG-CE2 3.49Å; S490-L502 PolarHBondContact OG-O 3.1Å |
| 491 | L | 89.9 | Confident | 86.1 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.8 | -50.2 | -179.4 | -65.1 | 178.7 | 0 | 0 | 0 | 112.6 | L15 F454 E487 M488 G493 R494 L495 M506 L529 L533 | L15-L491 HydrophobicContact CD1-CD2 4.43Å; L15-L491 HydrophobicContact CD2-CD2 4.16Å; F454-L491 HydrophobicContact CE2-CB 4.32Å; F454-L491 HydrophobicContact CZ-CB 4.37Å; E487-L491 HydrophobicContact CG-CD1 4.22Å; E487-L491 WeakPolarHBondContact O-CG 3.37Å; E487-L491 PolarHBondContact O-N 2.83Å; M488-L491 PolarHBondContact O-N 3.1Å; M488-L491 HydrophobicContact SD-CD1 3.92Å; L491-G493 VanDerWaalsContact C-N 3.32Å; L491-G493 PolarHBondContact O-N 3.23Å; L491-R494 PolarHBondContact O-N 2.92Å; L491-L495 WeakPolarHBondContact O-CG 3.35Å; L491-L495 PolarHBondContact O-N 3.16Å; L491-M506 HydrophobicContact CD1-CE 4.41Å; L491-M506 HydrophobicContact CD2-CE 3.47Å; L491-M506 VanDerWaalsContact CD2-CE 3.47Å; L491-M506 HydrophobicContact CG-CE 3.74Å; L491-L529 HydrophobicContact CD1-CD1 4.21Å; L491-L529 HydrophobicContact CD2-CB 4.39Å; L491-L533 HydrophobicContact CD2-CD1 3.61Å |
| 492 | S | 90.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -37.8 | 179.2 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | H463 M488 A489 R494 L495 S496 | H463-S492 WeakPolarHBondContact CA-OG 3.24Å; H463-S492 VanDerWaalsContact CB-OG 3.29Å; H463-S492 WeakPolarHBondContact CB-OG 3.39Å; H463-S492 PolarHBondContact ND1-OG 2.89Å; M488-S492 VanDerWaalsContact O-CB 3.26Å; M488-S492 WeakPolarHBondContact O-CB 3.38Å; M488-S492 PolarHBondContact O-N 2.89Å; M488-S492 PolarHBondContact O-OG 3.43Å; A489-S492 PolarHBondContact O-OG 3.04Å; S492-R494 VanDerWaalsContact C-N 3.33Å; S492-R494 PolarHBondContact O-N 3.04Å; S492-L495 PolarHBondContact O-N 2.98Å; S492-S496 PolarHBondContact O-N 2.85Å |
| 493 | G | 87.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.4 | -34.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H463 A489 S490 L491 S496 | H463-G493 WeakPolarHBondContact ND1-CA 3.45Å; H463-G493 PolarHBondContact ND1-N 3.48Å; A489-G493 PolarHBondContact O-N 3.14Å; S490-G493 PolarHBondContact O-N 3.25Å; L491-G493 VanDerWaalsContact C-N 3.32Å; L491-G493 PolarHBondContact O-N 3.23Å; G493-S496 PolarHBondContact O-OG 3.22Å |
| 494 | R | 84.8 | Confident | 85 | Confident | 62 Ų | 62 | 31 Ų | 31 | 23% | 0.234 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73 | -39.9 | 175.8 | 178.5 | 58 | -174.2 | 79.4 | 4.1 | 112.4 | E12 S490 L491 S492 G497 L533 | E12-R494 IonicContact OE1-CZ 3.47Å; E12-R494 IonicContact OE1-NH1 3.84Å; E12-R494 PolarHBondContact OE1-NH1 3.48Å; E12-R494 IonicContact OE1-NH2 3.21Å; S490-R494 PolarHBondContact O-N 2.79Å; S490-R494 VanDerWaalsContact O-N 3.08Å; L491-R494 PolarHBondContact O-N 2.92Å; S492-R494 VanDerWaalsContact C-N 3.33Å; S492-R494 PolarHBondContact O-N 3.04Å; R494-G497 PolarHBondContact O-N 3.45Å; R494-L533 HydrophobicContact CB-CD1 4.33Å; R494-L533 HydrophobicContact CG-CD1 4.18Å; R494-L533 HydrophobicContact CG-CD2 3.69Å; R494-L533 HydrophobicContact CG-CG 4.5Å |
| 495 | L | 85.2 | Confident | 85 | Confident | 9 Ų | 9 | 31.9 Ų | 31.9 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75.9 | -20.9 | -179 | -70.1 | 175 | 0 | 0 | 0 | 113.7 | E12 L15 F454 Y459 L491 S492 G497 | E12-L495 HydrophobicContact CG-CD2 3.4Å; L15-L495 HydrophobicContact CB-CD1 4.46Å; L15-L495 HydrophobicContact CB-CD2 4.33Å; L15-L495 HydrophobicContact CD1-CD2 4.35Å; F454-L495 HydrophobicContact CE2-CD1 3.77Å; F454-L495 HydrophobicContact CZ-CD1 3.68Å; Y459-L495 HydrophobicContact CD1-CB 3.9Å; Y459-L495 HydrophobicContact CD1-CD1 4.08Å; Y459-L495 HydrophobicContact CD2-CB 3.71Å; Y459-L495 WeakPolarHBondContact CD2-O 3.35Å; Y459-L495 HydrophobicContact CE1-CB 4.11Å; Y459-L495 HydrophobicContact CE1-CD1 3.66Å; Y459-L495 HydrophobicContact CE2-CB 3.92Å; Y459-L495 HydrophobicContact CG-CB 3.69Å; L491-L495 WeakPolarHBondContact O-CG 3.35Å; L491-L495 PolarHBondContact O-N 3.16Å; S492-L495 PolarHBondContact O-N 2.98Å; L495-G497 PolarHBondContact O-N 2.9Å |
| 496 | S | 85.2 | Confident | 85 | Confident | 31 Ų | 31 | 31.9 Ų | 31.9 | 22% | 0.217 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -11.1 | 174.2 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | S492 G493 S498 | S492-S496 PolarHBondContact O-N 2.85Å; G493-S496 PolarHBondContact O-OG 3.22Å; S496-S498 PolarHBondContact O-N 3.28Å; S496-S498 PolarHBondContact OG-OG 2.99Å |
| 497 | G | 73.6 | Confident | 84.9 | Confident | 66 Ų | 66 | 34.1 Ų | 34.1 | 68% | 0.68 | 20% | 0.202 | S | C | * | . | S | Bend | trans | 67 | -6.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R494 L495 | R494-G497 PolarHBondContact O-N 3.45Å; L495-G497 PolarHBondContact O-N 2.9Å |
| 498 | S | 63.6 | Low | 84.9 | Confident | 76 Ų | 76 | 35.1 Ų | 35.1 | 53% | 0.531 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -98.4 | -11.3 | -170.2 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | E460 S496 | E460-S498 PolarHBondContact OE2-OG 3.43Å; S496-S498 PolarHBondContact O-N 3.28Å; S496-S498 PolarHBondContact OG-OG 2.99Å |
| 499 | R | 66.8 | Low | 85 | Confident | 100 Ų | 100 | 35.1 Ų | 35.1 | 38% | 0.377 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -133.4 | 145.9 | -170 | -60.9 | 176.8 | -172.2 | -140.6 | -6.4 | 112.4 | E460 H463 | E460-R499 IonicContact OE1-CZ 2.69Å; E460-R499 IonicContact OE1-NE 3.77Å; E460-R499 IonicContact OE1-NH2 3.66Å; E460-R499 PolarHBondContact OE1-NH2 3.02Å; E460-R499 IonicContact OE2-NE 2.92Å; H463-R499 VanDerWaalsContact CD2-CZ 3.44Å; H463-R499 PolarHBondContact CD2-NH1 2.8Å; H463-R499 PolarHBondContact NE2-NH1 3.37Å |
| 500 | A | 70.3 | Confident | 85.1 | Confident | 84 Ų | 84 | 35.3 Ų | 35.3 | 69% | 0.694 | 21% | 0.212 | S | C | * | . | trans | -64 | 144.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L502 | A500-L502 PolarHBondContact O-N 3.5Š| ||
| 501 | Y | 74.8 | Confident | 85.3 | Confident | 43 Ų | 43 | 37.8 Ų | 37.8 | 17% | 0.169 | 23% | 0.229 | C | C | . | . | trans | -57 | 125.7 | 177.4 | 175.1 | -111.1 | 0 | 0 | 0 | 111.5 | S490 G503 M506 S530 L533 L534 | S490-Y501 WeakPolarHBondContact OG-CE2 3.49Å; Y501-G503 VanDerWaalsContact CE1-CA 3.44Å; Y501-G503 PolarHBondContact O-N 2.96Å; Y501-M506 HydrophobicContact CE2-CG 4.42Å; Y501-M506 WeakPolarHBondContact OH-CG 3.42Å; Y501-S530 VanDerWaalsContact OH-CA 3.28Å; Y501-S530 WeakPolarHBondContact OH-CA 3.34Å; Y501-S530 WeakPolarHBondContact OH-CB 2.99Å; Y501-S530 PolarHBondContact OH-OG 3.14Å; Y501-L533 HydrophobicContact CD2-CB 4.18Å; Y501-L533 HydrophobicContact CD2-CD1 4.02Å; Y501-L533 HydrophobicContact CE2-CB 3.83Å; Y501-L533 HydrophobicContact CE2-CD1 3.6Å; Y501-L533 HydrophobicContact CE2-CG 4.38Å; Y501-L534 HydrophobicContact CD1-CD2 3.72Å; Y501-L534 HydrophobicContact CD1-CG 4.24Å; Y501-L534 HydrophobicContact CE1-CD1 4.13Å; Y501-L534 HydrophobicContact CE1-CD2 3.43Å; Y501-L534 VanDerWaalsContact CE1-CD2 3.43Å; Y501-L534 HydrophobicContact CE1-CG 3.56Å | ||
| 502 | L | 82.6 | Confident | 85.5 | Confident | 36 Ų | 36 | 38 Ų | 38 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | trans | -93.4 | 67.5 | -175.1 | -59.8 | 176.8 | 0 | 0 | 0 | 110.9 | S490 A500 H504 Y505 | S490-L502 PolarHBondContact OG-O 3.1Å; A500-L502 PolarHBondContact O-N 3.5Å; L502-H504 VanDerWaalsContact C-N 3.26Å; L502-H504 PolarHBondContact O-N 3.44Å; L502-Y505 HydrophobicContact CB-CD2 4.03Å; L502-Y505 HydrophobicContact CB-CG 4.19Å; L502-Y505 HydrophobicContact CD1-CD2 3.71Å; L502-Y505 HydrophobicContact CD1-CE2 3.59Å; L502-Y505 WeakPolarHBondContact O-CB 3.22Å; L502-Y505 PolarHBondContact O-N 3.27Å | ||
| 503 | G | 85.5 | Confident | 85.8 | Confident | 18 Ų | 18 | 38 Ų | 38 | 19% | 0.186 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.5 | -39.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y501 Y505 M506 D507 | Y501-G503 VanDerWaalsContact CE1-CA 3.44Å; Y501-G503 PolarHBondContact O-N 2.96Å; G503-Y505 PolarHBondContact O-N 2.92Å; G503-M506 PolarHBondContact O-N 3.34Å; G503-D507 PolarHBondContact O-N 3.16Å |
| 504 | H | 90.5 | Very high | 86 | Confident | 113 Ų | 113 | 38.2 Ų | 38.2 | 52% | 0.523 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.8 | -23.5 | 177.7 | 65.4 | -79 | 0 | 0 | 0 | 114.3 | L502 A508 | L502-H504 VanDerWaalsContact C-N 3.26Å; L502-H504 PolarHBondContact O-N 3.44Å; H504-A508 PolarHBondContact O-N 3.35Å |
| 505 | Y | 93.5 | Very high | 86.3 | Confident | 20 Ų | 20 | 40 Ų | 40 | 8% | 0.078 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.6 | -39 | 172.1 | -72.2 | 0.7 | 0 | 0 | 0 | 111.2 | H467 C486 A489 L502 G503 A508 A509 | H467-Y505 PolarHBondContact CE1-OH 3.33Å; H467-Y505 AromaticContact ND1-CE2 3.91Å; H467-Y505 PolarHBondContact ND1-OH 2.94Å; C486-Y505 WeakPolarHBondContact CB-O 3.18Å; A489-Y505 HydrophobicContact CB-CD2 3.94Å; A489-Y505 HydrophobicContact CB-CE2 4.26Å; L502-Y505 HydrophobicContact CB-CD2 4.03Å; L502-Y505 HydrophobicContact CB-CG 4.19Å; L502-Y505 HydrophobicContact CD1-CD2 3.71Å; L502-Y505 HydrophobicContact CD1-CE2 3.59Å; L502-Y505 WeakPolarHBondContact O-CB 3.22Å; L502-Y505 PolarHBondContact O-N 3.27Å; G503-Y505 PolarHBondContact O-N 2.92Å; Y505-A508 PolarHBondContact O-N 3.35Å; Y505-A509 PolarHBondContact O-N 3.24Å |
| 506 | M | 93.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 173.2 | -77.8 | -58.9 | -147.2 | 0 | 0 | 111.6 | E487 L491 Y501 G503 A508 A509 V510 L529 S530 | E487-M506 HydrophobicContact CB-SD 4.3Å; E487-M506 HydrophobicContact CG-CE 4.11Å; E487-M506 HydrophobicContact CG-SD 4.02Å; L491-M506 HydrophobicContact CD1-CE 4.41Å; L491-M506 HydrophobicContact CD2-CE 3.47Å; L491-M506 VanDerWaalsContact CD2-CE 3.47Å; L491-M506 HydrophobicContact CG-CE 3.74Å; Y501-M506 HydrophobicContact CE2-CG 4.42Å; Y501-M506 WeakPolarHBondContact OH-CG 3.42Å; G503-M506 PolarHBondContact O-N 3.34Å; M506-A508 VanDerWaalsContact C-N 3.32Å; M506-A508 PolarHBondContact O-N 3.09Å; M506-A509 WeakPolarHBondContact O-CB 3.41Å; M506-A509 PolarHBondContact O-N 3.19Å; M506-A509 VanDerWaalsContact O-N 3.1Å; M506-V510 WeakPolarHBondContact O-CG2 3.15Å; M506-V510 PolarHBondContact O-N 3.27Å; M506-L529 HydrophobicContact CE-CB 3.99Å; M506-S530 WeakPolarHBondContact CB-OG 2.94Å |
| 507 | D | 93.1 | Very high | 87 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.9 | -48.5 | 171.8 | -81.9 | -47.2 | 0 | 0 | 0 | 111.8 | G503 A509 V510 S511 Q546 K549 | G503-D507 PolarHBondContact O-N 3.16Å; D507-A509 VanDerWaalsContact C-N 3.31Å; D507-A509 PolarHBondContact O-N 3.48Å; D507-V510 PolarHBondContact O-N 3.45Å; D507-S511 PolarHBondContact O-N 3.47Å; D507-S511 PolarHBondContact O-OG 3.47Å; D507-Q546 VanDerWaalsContact CG-NE2 3.32Å; D507-Q546 PolarHBondContact OD1-NE2 3.1Å; D507-K549 IonicContact OD1-NZ 2.55Å; D507-K549 PolarHBondContact OD1-NZ 3Å |
| 508 | A | 94.8 | Very high | 87.9 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 19% | 0.19 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y482 H504 Y505 M506 T512 | Y482-A508 HydrophobicContact CE1-CB 4.43Å; H504-A508 PolarHBondContact O-N 3.35Å; Y505-A508 PolarHBondContact O-N 3.35Å; M506-A508 VanDerWaalsContact C-N 3.32Å; M506-A508 PolarHBondContact O-N 3.09Å; A508-T512 WeakPolarHBondContact O-CB 3.36Å; A508-T512 PolarHBondContact O-N 3.05Å; A508-T512 PolarHBondContact O-OG1 2.9Å |
| 509 | A | 95.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.9 | -50.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A483 C486 E487 Y505 M506 D507 T512 Y513 | A483-A509 WeakPolarHBondContact O-CB 3.37Å; C486-A509 HydrophobicContact CB-CB 3.99Å; E487-A509 HydrophobicContact CB-CB 4.07Å; Y505-A509 PolarHBondContact O-N 3.24Å; M506-A509 WeakPolarHBondContact O-CB 3.41Å; M506-A509 PolarHBondContact O-N 3.19Å; M506-A509 VanDerWaalsContact O-N 3.1Å; D507-A509 VanDerWaalsContact C-N 3.31Å; D507-A509 PolarHBondContact O-N 3.48Å; A509-T512 PolarHBondContact O-N 2.8Å; A509-Y513 HydrophobicContact CB-CD2 4.43Å; A509-Y513 HydrophobicContact CB-CE2 4.32Å; A509-Y513 WeakPolarHBondContact O-CB 3.37Å; A509-Y513 WeakPolarHBondContact O-CD2 2.96Å; A509-Y513 PolarHBondContact O-N 3.13Å |
| 510 | V | 95 | Very high | 90.3 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -52.6 | -179.8 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | M506 D507 T512 Y513 G514 A526 A527 V550 | M506-V510 WeakPolarHBondContact O-CG2 3.15Å; M506-V510 PolarHBondContact O-N 3.27Å; D507-V510 PolarHBondContact O-N 3.45Å; V510-T512 PolarHBondContact O-N 3.01Å; V510-Y513 PolarHBondContact O-N 3.28Å; V510-G514 PolarHBondContact O-N 3.4Å; V510-A526 HydrophobicContact CG2-CB 3.72Å; V510-A527 HydrophobicContact CG1-CB 4.43Å; V510-A527 HydrophobicContact CG2-CB 4.01Å; V510-V550 HydrophobicContact CG1-CG1 3.54Å |
| 511 | S | 95 | Very high | 91.3 | Very high | 51 Ų | 51 | 41 Ų | 41 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 179.5 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | D507 G514 D515 | D507-S511 PolarHBondContact O-N 3.47Å; D507-S511 PolarHBondContact O-OG 3.47Å; S511-G514 PolarHBondContact O-N 3.19Å; S511-D515 VanDerWaalsContact O-CB 3.31Å; S511-D515 WeakPolarHBondContact O-CB 3.45Å; S511-D515 PolarHBondContact O-N 2.88Å |
| 512 | T | 95.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -67 | -44.9 | 179.2 | -53 | 0 | 0 | 0 | 0 | 111.1 | W479 Y482 A483 A508 A509 V510 V516 C517 | W479-T512 HydrophobicContact CB-CG2 3.83Å; W479-T512 HydrophobicContact CE3-CG2 4.31Å; W479-T512 WeakPolarHBondContact O-CG2 3.48Å; Y482-T512 HydrophobicContact CD1-CG2 4.24Å; A483-T512 HydrophobicContact CB-CG2 3.95Å; A508-T512 WeakPolarHBondContact O-CB 3.36Å; A508-T512 PolarHBondContact O-N 3.05Å; A508-T512 PolarHBondContact O-OG1 2.9Å; A509-T512 PolarHBondContact O-N 2.8Å; V510-T512 PolarHBondContact O-N 3.01Å; T512-V516 HydrophobicContact CG2-CB 4.15Å; T512-V516 HydrophobicContact CG2-CG2 4.43Å; T512-V516 WeakPolarHBondContact O-CB 3.3Å; T512-V516 PolarHBondContact O-N 2.9Å; T512-C517 PolarHBondContact O-N 3.41Å; T512-C517 PolarHBondContact O-SG 3.45Å |
| 513 | Y | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -62.8 | -44.4 | 175.4 | -75.6 | -51.5 | 0 | 0 | 0 | 112.5 | H141 F480 A483 G484 E487 A509 V510 K518 T519 L522 A526 | H141-Y513 AromaticContact CE1-CE1 3.71Å; H141-Y513 AromaticContact CE1-CZ 3.92Å; H141-Y513 PolarHBondContact CE1-OH 3.02Å; H141-Y513 AromaticContact NE2-CE1 3.98Å; H141-Y513 AromaticContact NE2-CZ 3.73Å; H141-Y513 PolarHBondContact NE2-OH 2.88Å; F480-Y513 HydrophobicContact CD2-CD1 4.3Å; F480-Y513 HydrophobicContact CD2-CE1 4.14Å; F480-Y513 HydrophobicContact CE2-CD1 4.36Å; F480-Y513 HydrophobicContact CE2-CE1 4.17Å; A483-Y513 HydrophobicContact CB-CD1 3.72Å; A483-Y513 HydrophobicContact CB-CD2 3.96Å; A483-Y513 HydrophobicContact CB-CE1 3.51Å; A483-Y513 HydrophobicContact CB-CE2 3.76Å; A483-Y513 HydrophobicContact CB-CG 3.94Å; G484-Y513 WeakPolarHBondContact CA-OH 3.47Å; G484-Y513 PolarHBondContact N-OH 3.19Å; E487-Y513 WeakPolarHBondContact OE2-CE2 3.47Å; E487-Y513 PolarHBondContact OE2-OH 3.12Å; A509-Y513 HydrophobicContact CB-CD2 4.43Å; A509-Y513 HydrophobicContact CB-CE2 4.32Å; A509-Y513 WeakPolarHBondContact O-CB 3.37Å; A509-Y513 WeakPolarHBondContact O-CD2 2.96Å; A509-Y513 PolarHBondContact O-N 3.13Å; V510-Y513 PolarHBondContact O-N 3.28Å; Y513-K518 PolarHBondContact O-N 3.48Å; Y513-T519 PolarHBondContact O-N 3.29Å; Y513-T519 PolarHBondContact O-OG1 3.46Å; Y513-T519 VanDerWaalsContact O-OG1 3.13Å; Y513-L522 HydrophobicContact CD1-CB 3.73Å; Y513-L522 HydrophobicContact CD1-CD1 3.94Å; Y513-L522 HydrophobicContact CD1-CG 4.49Å; Y513-L522 HydrophobicContact CD2-CB 4.09Å; Y513-L522 HydrophobicContact CE1-CB 4.1Å; Y513-L522 HydrophobicContact CE1-CD1 3.85Å; Y513-L522 HydrophobicContact CE2-CB 4.43Å; Y513-L522 HydrophobicContact CG-CB 3.73Å; Y513-A526 HydrophobicContact CD2-CB 4.22Å; Y513-A526 HydrophobicContact CE2-CB 4.45Å |
| 514 | G | 91.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -77.3 | -41.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | V510 S511 K553 | V510-G514 PolarHBondContact O-N 3.4Å; S511-G514 PolarHBondContact O-N 3.19Å; G514-K553 PolarHBondContact O-NZ 3.16Å; G514-K553 VanDerWaalsContact O-NZ 3.14Å |
| 515 | D | 92.6 | Very high | 93.2 | Very high | 100 Ų | 100 | 31.9 Ų | 31.9 | 54% | 0.535 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -108.5 | -35.6 | -166.4 | -51.2 | -33.8 | 0 | 0 | 0 | 111.8 | S511 K553 | S511-D515 VanDerWaalsContact O-CB 3.31Å; S511-D515 WeakPolarHBondContact O-CB 3.45Å; S511-D515 PolarHBondContact O-N 2.88Å; D515-K553 IonicContact OD1-NZ 3.66Å; D515-K553 PolarHBondContact OD1-NZ 2.87Å |
| 516 | V | 93.3 | Very high | 93.2 | Very high | 78 Ų | 78 | 31 Ų | 31 | 47% | 0.473 | 17% | 0.174 | S | C | . | . | I | π-helix | trans | -91.4 | -52.6 | -179.7 | -174 | 0 | 0 | 0 | 0 | 111.3 | W479 T512 | W479-V516 HydrophobicContact CB-CG1 3.89Å; W479-V516 HydrophobicContact CD2-CG1 4.15Å; W479-V516 HydrophobicContact CG-CG1 3.61Å; T512-V516 HydrophobicContact CG2-CB 4.15Å; T512-V516 HydrophobicContact CG2-CG2 4.43Å; T512-V516 WeakPolarHBondContact O-CB 3.3Å; T512-V516 PolarHBondContact O-N 2.9Å |
| 517 | C | 91.3 | Very high | 93.2 | Very high | 33 Ų | 33 | 31 Ų | 31 | 22% | 0.223 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -82.1 | -14.4 | -177.6 | -59.5 | 0 | 0 | 0 | 0 | 113.5 | F480 T512 T519 | F480-C517 VanDerWaalsContact CA-SG 3.6Å; F480-C517 HydrophobicContact CD2-CB 4.09Å; T512-C517 PolarHBondContact O-N 3.41Å; T512-C517 PolarHBondContact O-SG 3.45Å; C517-T519 HydrophobicContact CB-CG2 4.45Å; C517-T519 PolarHBondContact O-N 2.95Å |
| 518 | K | 91.5 | Very high | 93.2 | Very high | 171 Ų | 171 | 28.8 Ų | 28.8 | 74% | 0.743 | 16% | 0.162 | S | C | * | . | trans | 53.6 | 38.2 | -177.3 | -57.8 | -174.6 | 176.8 | -175.6 | 0 | 113.3 | Y513 P520 | Y513-K518 PolarHBondContact O-N 3.48Å; K518-P520 WeakPolarHBondContact O-CD 3.2Å | ||
| 519 | T | 90.5 | Very high | 93 | Very high | 39 Ų | 39 | 28.1 Ų | 28.1 | 24% | 0.239 | 16% | 0.155 | C | C | . | . | trans | -110 | 83.1 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 109.7 | F480 Y513 C517 W521 L522 A523 | F480-T519 HydrophobicContact CE2-CG2 4.01Å; Y513-T519 PolarHBondContact O-N 3.29Å; Y513-T519 PolarHBondContact O-OG1 3.46Å; Y513-T519 VanDerWaalsContact O-OG1 3.13Å; C517-T519 HydrophobicContact CB-CG2 4.45Å; C517-T519 PolarHBondContact O-N 2.95Å; T519-W521 VanDerWaalsContact C-N 3.31Å; T519-W521 PolarHBondContact O-N 2.99Å; T519-L522 HydrophobicContact CG2-CD1 4.38Å; T519-L522 PolarHBondContact O-N 3.15Å; T519-L522 VanDerWaalsContact O-N 3.16Å; T519-A523 PolarHBondContact O-N 3.48Å | ||
| 520 | P | 91.4 | Very high | 92.8 | Very high | 44 Ų | 44 | 28.1 Ų | 28.1 | 29% | 0.286 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.5 | -39.5 | -169.9 | 21.4 | -32.6 | 0 | 0 | 0 | 112.8 | K518 L522 A523 V524 K553 | K518-P520 WeakPolarHBondContact O-CD 3.2Å; P520-L522 VanDerWaalsContact C-N 3.31Å; P520-L522 PolarHBondContact O-N 3.25Å; P520-A523 WeakPolarHBondContact O-CB 3.49Å; P520-A523 PolarHBondContact O-N 3.23Å; P520-A523 VanDerWaalsContact O-N 3.13Å; P520-V524 WeakPolarHBondContact O-CG2 3.28Å; P520-V524 PolarHBondContact O-N 3.37Å; P520-K553 HydrophobicContact CB-CB 3.77Å; P520-K553 HydrophobicContact CB-CD 4.46Å; P520-K553 HydrophobicContact CB-CG 4.49Å |
| 521 | W | 91.7 | Very high | 92.6 | Very high | 22 Ų | 22 | 28.1 Ų | 28.1 | 8% | 0.083 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.1 | -30.6 | -179.5 | -68.3 | 94.7 | 0 | 0 | 0 | 114.1 | P88 R92 L95 L132 L136 T519 R525 | P88-W521 HydrophobicContact CB-CD2 3.85Å; P88-W521 VanDerWaalsContact CB-CE2 3.5Å; P88-W521 HydrophobicContact CB-CG 3.72Å; P88-W521 HydrophobicContact CB-CZ2 4.14Å; P88-W521 HydrophobicContact CG-CG 4.07Å; R92-W521 HydrophobicContact CB-CH2 3.93Å; R92-W521 HydrophobicContact CB-CZ2 3.98Å; R92-W521 HydrophobicContact CG-CH2 4.34Å; R92-W521 HydrophobicContact CG-CZ2 4.44Å; L95-W521 HydrophobicContact CD1-CZ3 4.29Å; L132-W521 HydrophobicContact CD1-CE3 3.79Å; L132-W521 HydrophobicContact CD1-CZ3 3.6Å; L136-W521 HydrophobicContact CD1-CB 4.12Å; L136-W521 HydrophobicContact CD2-CB 4.31Å; T519-W521 VanDerWaalsContact C-N 3.31Å; T519-W521 PolarHBondContact O-N 2.99Å; W521-R525 WeakPolarHBondContact O-CB 3.41Å; W521-R525 PolarHBondContact O-N 3.5Å |
| 522 | L | 92.2 | Very high | 92.3 | Very high | 14 Ų | 14 | 26.1 Ų | 26.1 | 7% | 0.073 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -76.7 | -33.9 | 173.9 | -67.8 | 173.5 | 0 | 0 | 0 | 111.5 | F480 Y513 T519 P520 R525 A526 | F480-L522 HydrophobicContact CE2-CD1 3.44Å; F480-L522 VanDerWaalsContact CE2-CD1 3.44Å; F480-L522 HydrophobicContact CZ-CD1 3.76Å; Y513-L522 HydrophobicContact CD1-CB 3.73Å; Y513-L522 HydrophobicContact CD1-CD1 3.94Å; Y513-L522 HydrophobicContact CD1-CG 4.49Å; Y513-L522 HydrophobicContact CD2-CB 4.09Å; Y513-L522 HydrophobicContact CE1-CB 4.1Å; Y513-L522 HydrophobicContact CE1-CD1 3.85Å; Y513-L522 HydrophobicContact CE2-CB 4.43Å; Y513-L522 HydrophobicContact CG-CB 3.73Å; T519-L522 HydrophobicContact CG2-CD1 4.38Å; T519-L522 PolarHBondContact O-N 3.15Å; T519-L522 VanDerWaalsContact O-N 3.16Å; P520-L522 VanDerWaalsContact C-N 3.31Å; P520-L522 PolarHBondContact O-N 3.25Å; L522-R525 PolarHBondContact O-N 3.22Å; L522-A526 WeakPolarHBondContact O-CB 3.47Å; L522-A526 PolarHBondContact O-N 2.98Å |
| 523 | A | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | T519 P520 R525 A526 A527 V550 | T519-A523 PolarHBondContact O-N 3.48Å; P520-A523 WeakPolarHBondContact O-CB 3.49Å; P520-A523 PolarHBondContact O-N 3.23Å; P520-A523 VanDerWaalsContact O-N 3.13Å; A523-R525 PolarHBondContact O-N 3.4Å; A523-A526 PolarHBondContact O-N 2.84Å; A523-A527 VanDerWaalsContact O-CB 3.32Å; A523-A527 WeakPolarHBondContact O-CB 3.46Å; A523-A527 PolarHBondContact O-N 3.39Å; A523-V550 HydrophobicContact CB-CG1 4.23Å |
| 524 | V | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.9 | -47.3 | 173.9 | 166.9 | 0 | 0 | 0 | 0 | 110.8 | L132 P520 A527 L528 V550 K553 A557 F561 | L132-V524 HydrophobicContact CD1-CG1 4.2Å; P520-V524 WeakPolarHBondContact O-CG2 3.28Å; P520-V524 PolarHBondContact O-N 3.37Å; V524-A527 PolarHBondContact O-N 3.1Å; V524-L528 VanDerWaalsContact O-CB 3.32Å; V524-L528 WeakPolarHBondContact O-CB 3.47Å; V524-L528 PolarHBondContact O-N 3.4Å; V524-V550 HydrophobicContact CG2-CB 4.5Å; V524-K553 HydrophobicContact CG2-CB 4.16Å; V524-A557 HydrophobicContact CG1-CB 4.25Å; V524-A557 HydrophobicContact CG2-CB 4.41Å; V524-F561 HydrophobicContact CG1-CE2 3.9Å; V524-F561 HydrophobicContact CG1-CZ 3.73Å; V524-F561 HydrophobicContact CG2-CE2 4.45Å |
| 525 | R | 92.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.4 | -55.1 | 174.2 | 172 | -180 | 102.1 | 178.3 | 3.1 | 111.8 | L133 E142 E487 W521 L522 A523 A527 L528 L529 | L133-R525 HydrophobicContact CD2-CB 4.21Å; L133-R525 HydrophobicContact CD2-CG 3.54Å; E142-R525 IonicContact OE1-NH1 2.72Å; E142-R525 PolarHBondContact OE1-NH1 3.18Å; E142-R525 IonicContact OE2-CZ 3.53Å; E142-R525 IonicContact OE2-NH1 3.6Å; E142-R525 PolarHBondContact OE2-NH1 2.96Å; E142-R525 IonicContact OE2-NH2 3.7Å; E142-R525 PolarHBondContact OE2-NH2 2.92Å; E487-R525 VanDerWaalsContact CD-NH2 3.25Å; E487-R525 IonicContact OE1-CZ 3.2Å; E487-R525 VanDerWaalsContact OE1-CZ 3.3Å; E487-R525 IonicContact OE1-NE 3.78Å; E487-R525 PolarHBondContact OE1-NE 3.42Å; E487-R525 IonicContact OE1-NH2 3.5Å; E487-R525 PolarHBondContact OE1-NH2 3.15Å; E487-R525 VanDerWaalsContact OE1-NH2 3.09Å; E487-R525 IonicContact OE2-CZ 2.69Å; E487-R525 IonicContact OE2-NE 3.51Å; E487-R525 PolarHBondContact OE2-NE 3.25Å; E487-R525 IonicContact OE2-NH2 2.97Å; E487-R525 PolarHBondContact OE2-NH2 3.35Å; W521-R525 WeakPolarHBondContact O-CB 3.41Å; W521-R525 PolarHBondContact O-N 3.5Å; L522-R525 PolarHBondContact O-N 3.22Å; A523-R525 PolarHBondContact O-N 3.4Å; R525-A527 VanDerWaalsContact C-N 3.32Å; R525-A527 PolarHBondContact O-N 2.95Å; R525-L528 PolarHBondContact O-N 2.87Å; R525-L529 HydrophobicContact CG-CD1 3.82Å; R525-L529 WeakPolarHBondContact O-CG 3.47Å; R525-L529 PolarHBondContact O-N 2.61Å |
| 526 | A | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V510 Y513 L522 A523 L529 S530 | V510-A526 HydrophobicContact CG2-CB 3.72Å; Y513-A526 HydrophobicContact CD2-CB 4.22Å; Y513-A526 HydrophobicContact CE2-CB 4.45Å; L522-A526 WeakPolarHBondContact O-CB 3.47Å; L522-A526 PolarHBondContact O-N 2.98Å; A523-A526 PolarHBondContact O-N 2.84Å; A526-L529 PolarHBondContact O-N 3.34Å; A526-S530 WeakPolarHBondContact O-CB 3.32Å; A526-S530 PolarHBondContact O-N 2.89Å |
| 527 | A | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V510 A523 V524 R525 S530 A531 V550 | V510-A527 HydrophobicContact CG1-CB 4.43Å; V510-A527 HydrophobicContact CG2-CB 4.01Å; A523-A527 VanDerWaalsContact O-CB 3.32Å; A523-A527 WeakPolarHBondContact O-CB 3.46Å; A523-A527 PolarHBondContact O-N 3.39Å; V524-A527 PolarHBondContact O-N 3.1Å; R525-A527 VanDerWaalsContact C-N 3.32Å; R525-A527 PolarHBondContact O-N 2.95Å; A527-S530 PolarHBondContact O-N 3.41Å; A527-A531 VanDerWaalsContact O-CB 3.25Å; A527-A531 WeakPolarHBondContact O-CB 3.3Å; A527-A531 PolarHBondContact O-N 2.9Å; A527-V550 HydrophobicContact CB-CB 4.38Å; A527-V550 HydrophobicContact CB-CG1 3.92Å; A527-V550 HydrophobicContact CB-CG2 3.53Å |
| 528 | L | 92.5 | Very high | 90 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 178.3 | -164.2 | 90 | 0 | 0 | 0 | 112.2 | F125 R129 L132 L133 V524 R525 S532 F561 | F125-L528 HydrophobicContact CE2-CD1 4.07Å; F125-L528 HydrophobicContact CZ-CD1 4.06Å; R129-L528 HydrophobicContact CB-CD1 4.46Å; R129-L528 HydrophobicContact CB-CD2 3.74Å; R129-L528 HydrophobicContact CB-CG 4.48Å; R129-L528 HydrophobicContact CG-CD2 3.49Å; R129-L528 VanDerWaalsContact CG-CD2 3.49Å; R129-L528 HydrophobicContact CG-CG 4.24Å; L132-L528 HydrophobicContact CD2-CD2 4.31Å; L133-L528 HydrophobicContact CD1-CD2 3.75Å; L133-L528 HydrophobicContact CD2-CD2 4.33Å; L133-L528 HydrophobicContact CG-CD2 3.96Å; V524-L528 VanDerWaalsContact O-CB 3.32Å; V524-L528 WeakPolarHBondContact O-CB 3.47Å; V524-L528 PolarHBondContact O-N 3.4Å; R525-L528 PolarHBondContact O-N 2.87Å; L528-S532 WeakPolarHBondContact O-CB 3.39Å; L528-S532 PolarHBondContact O-N 3.48Å; L528-S532 PolarHBondContact O-OG 3.41Å; L528-F561 HydrophobicContact CD1-CD1 4.34Å; L528-F561 HydrophobicContact CD1-CE1 3.32Å; L528-F561 HydrophobicContact CD1-CZ 3.63Å |
| 529 | L | 90.4 | Very high | 90 | Very high | 10 Ų | 10 | 19.5 Ų | 19.5 | 5% | 0.052 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.2 | -44.8 | 175.7 | -69.9 | 167.9 | 0 | 0 | 0 | 111.1 | L15 L18 L133 E487 L491 M506 R525 A526 S532 L533 | L15-L529 HydrophobicContact CD2-CD2 3.45Å; L15-L529 VanDerWaalsContact CD2-CD2 3.45Å; L18-L529 HydrophobicContact CD1-CD2 4.37Å; L133-L529 HydrophobicContact CD1-CD2 3.77Å; L133-L529 HydrophobicContact CD1-CG 4.29Å; L133-L529 HydrophobicContact CD2-CD1 4.5Å; L133-L529 HydrophobicContact CD2-CD2 4.45Å; L133-L529 HydrophobicContact CD2-CG 4.3Å; E487-L529 VanDerWaalsContact OE1-CD1 3.28Å; E487-L529 WeakPolarHBondContact OE1-CD1 3.46Å; L491-L529 HydrophobicContact CD1-CD1 4.21Å; L491-L529 HydrophobicContact CD2-CB 4.39Å; M506-L529 HydrophobicContact CE-CB 3.99Å; R525-L529 HydrophobicContact CG-CD1 3.82Å; R525-L529 WeakPolarHBondContact O-CG 3.47Å; R525-L529 PolarHBondContact O-N 2.61Å; A526-L529 PolarHBondContact O-N 3.34Å; L529-S532 PolarHBondContact O-N 2.97Å; L529-L533 PolarHBondContact O-N 3.38Å |
| 530 | S | 91.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.9 | -48.8 | 176.5 | -179 | 0 | 0 | 0 | 0 | 111.9 | Y501 M506 A526 A527 S532 L533 L534 Q546 | Y501-S530 VanDerWaalsContact OH-CA 3.28Å; Y501-S530 WeakPolarHBondContact OH-CA 3.34Å; Y501-S530 WeakPolarHBondContact OH-CB 2.99Å; Y501-S530 PolarHBondContact OH-OG 3.14Å; M506-S530 WeakPolarHBondContact CB-OG 2.94Å; A526-S530 WeakPolarHBondContact O-CB 3.32Å; A526-S530 PolarHBondContact O-N 2.89Å; A527-S530 PolarHBondContact O-N 3.41Å; S530-S532 PolarHBondContact O-N 2.97Å; S530-L533 PolarHBondContact O-N 2.67Å; S530-L534 WeakPolarHBondContact O-CG 3.09Å; S530-L534 PolarHBondContact O-N 3.17Å; S530-Q546 WeakPolarHBondContact OG-CG 3.07Å; S530-Q546 PolarHBondContact OG-OE1 2.91Å |
| 531 | A | 91.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.033 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A527 L533 L534 C535 A543 Q546 L547 | A527-A531 VanDerWaalsContact O-CB 3.25Å; A527-A531 WeakPolarHBondContact O-CB 3.3Å; A527-A531 PolarHBondContact O-N 2.9Å; A531-L533 VanDerWaalsContact C-N 3.34Å; A531-L533 PolarHBondContact O-N 2.66Å; A531-L534 PolarHBondContact O-N 3.39Å; A531-C535 WeakPolarHBondContact O-CB 3.3Å; A531-C535 PolarHBondContact O-N 3.01Å; A531-C535 PolarHBondContact O-SG 3.43Å; A531-C535 VanDerWaalsContact O-SG 3.33Å; A531-A543 HydrophobicContact CB-CB 4.43Å; A531-Q546 HydrophobicContact CB-CB 4.46Å; A531-L547 HydrophobicContact CB-CD1 3.99Å; A531-L547 HydrophobicContact CB-CD2 3.59Å; A531-L547 HydrophobicContact CB-CG 3.55Å |
| 532 | S | 87.3 | Confident | 90.3 | Very high | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.063 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.4 | -46.7 | 176.7 | -56.6 | 0 | 0 | 0 | 0 | 111 | D11 R129 L528 L529 S530 L534 C535 S536 | D11-S532 VanDerWaalsContact OD2-O 3.08Å; R129-S532 VanDerWaalsContact NH1-CB 3.34Å; R129-S532 PolarHBondContact NH1-OG 3.38Å; L528-S532 WeakPolarHBondContact O-CB 3.39Å; L528-S532 PolarHBondContact O-N 3.48Å; L528-S532 PolarHBondContact O-OG 3.41Å; L529-S532 PolarHBondContact O-N 2.97Å; S530-S532 PolarHBondContact O-N 2.97Å; S532-L534 PolarHBondContact O-N 3.14Å; S532-C535 PolarHBondContact O-N 3.26Å; S532-S536 PolarHBondContact O-N 3.5Å |
| 533 | L | 85.2 | Confident | 90.4 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 177.6 | -73.9 | 178.7 | 0 | 0 | 0 | 113.2 | L15 L491 R494 Y501 L529 S530 A531 S536 S537 | L15-L533 HydrophobicContact CD1-CD1 4.19Å; L15-L533 HydrophobicContact CD1-CD2 3.42Å; L15-L533 VanDerWaalsContact CD1-CD2 3.42Å; L15-L533 HydrophobicContact CD1-CG 3.97Å; L491-L533 HydrophobicContact CD2-CD1 3.61Å; R494-L533 HydrophobicContact CB-CD1 4.33Å; R494-L533 HydrophobicContact CG-CD1 4.18Å; R494-L533 HydrophobicContact CG-CD2 3.69Å; R494-L533 HydrophobicContact CG-CG 4.5Å; Y501-L533 HydrophobicContact CD2-CB 4.18Å; Y501-L533 HydrophobicContact CD2-CD1 4.02Å; Y501-L533 HydrophobicContact CE2-CB 3.83Å; Y501-L533 HydrophobicContact CE2-CD1 3.6Å; Y501-L533 HydrophobicContact CE2-CG 4.38Å; L529-L533 PolarHBondContact O-N 3.38Å; S530-L533 PolarHBondContact O-N 2.67Å; A531-L533 VanDerWaalsContact C-N 3.34Å; A531-L533 PolarHBondContact O-N 2.66Å; L533-S536 PolarHBondContact O-N 3.49Å; L533-S536 PolarHBondContact O-OG 3.09Å; L533-S537 PolarHBondContact O-N 2.94Å; L533-S537 PolarHBondContact O-OG 3.3Å |
| 534 | L | 88.2 | Confident | 90.4 | Very high | 12 Ų | 12 | 24.3 Ų | 24.3 | 6% | 0.063 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.2 | -43 | 176.3 | -74.3 | 165 | 0 | 0 | 0 | 111.6 | Y501 S530 A531 S532 S537 G538 H539 E542 A543 Q546 | Y501-L534 HydrophobicContact CD1-CD2 3.72Å; Y501-L534 HydrophobicContact CD1-CG 4.24Å; Y501-L534 HydrophobicContact CE1-CD1 4.13Å; Y501-L534 HydrophobicContact CE1-CD2 3.43Å; Y501-L534 VanDerWaalsContact CE1-CD2 3.43Å; Y501-L534 HydrophobicContact CE1-CG 3.56Å; S530-L534 WeakPolarHBondContact O-CG 3.09Å; S530-L534 PolarHBondContact O-N 3.17Å; A531-L534 PolarHBondContact O-N 3.39Å; S532-L534 PolarHBondContact O-N 3.14Å; L534-S537 WeakPolarHBondContact CA-OG 3.13Å; L534-S537 PolarHBondContact O-N 3.05Å; L534-S537 PolarHBondContact O-OG 2.57Å; L534-G538 PolarHBondContact O-N 3.5Å; L534-H539 HydrophobicContact CB-CB 4.27Å; L534-H539 HydrophobicContact CD2-CB 3.73Å; L534-H539 PolarHBondContact O-N 2.89Å; L534-E542 HydrophobicContact CD1-CB 4Å; L534-E542 HydrophobicContact CD2-CB 3.97Å; L534-A543 HydrophobicContact CB-CB 3.67Å; L534-Q546 HydrophobicContact CD1-CG 3.6Å |
| 535 | C | 87.6 | Confident | 90.4 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 9% | 0.088 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 172.8 | -73 | 0 | 0 | 0 | 0 | 111.8 | A531 S532 S537 G538 W540 A543 C568 | A531-C535 WeakPolarHBondContact O-CB 3.3Å; A531-C535 PolarHBondContact O-N 3.01Å; A531-C535 PolarHBondContact O-SG 3.43Å; A531-C535 VanDerWaalsContact O-SG 3.33Å; S532-C535 PolarHBondContact O-N 3.26Å; C535-S537 PolarHBondContact O-N 3.18Å; C535-S537 VanDerWaalsContact O-N 3.12Å; C535-G538 PolarHBondContact O-N 3.28Å; C535-W540 HydrophobicContact CB-CE3 4.29Å; C535-W540 HydrophobicContact CB-CH2 4.42Å; C535-W540 HydrophobicContact CB-CZ3 3.8Å; C535-A543 VanDerWaalsContact SG-CB 3.54Å; C535-C568 VanDerWaalsContact SG-SG 3.66Å |
| 536 | S | 82.3 | Confident | 90.4 | Very high | 54 Ų | 54 | 27.8 Ų | 27.8 | 38% | 0.378 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.8 | -24.4 | 178.6 | 78.8 | 0 | 0 | 0 | 0 | 113.8 | D11 S532 L533 | D11-S536 WeakPolarHBondContact OD2-CB 3.48Å; S532-S536 PolarHBondContact O-N 3.5Å; L533-S536 PolarHBondContact O-N 3.49Å; L533-S536 PolarHBondContact O-OG 3.09Å |
| 537 | S | 82.9 | Confident | 90.5 | Very high | 49 Ų | 49 | 27.8 Ų | 27.8 | 34% | 0.343 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 4.2 | 179.8 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | L533 L534 C535 H539 | L533-S537 PolarHBondContact O-N 2.94Å; L533-S537 PolarHBondContact O-OG 3.3Å; L534-S537 WeakPolarHBondContact CA-OG 3.13Å; L534-S537 PolarHBondContact O-N 3.05Å; L534-S537 PolarHBondContact O-OG 2.57Å; C535-S537 PolarHBondContact O-N 3.18Å; C535-S537 VanDerWaalsContact O-N 3.12Å; S537-H539 VanDerWaalsContact C-N 3.32Å; S537-H539 WeakPolarHBondContact CB-ND1 3.32Å; S537-H539 PolarHBondContact O-N 3.38Å; S537-H539 PolarHBondContact O-ND1 3.31Å; S537-H539 PolarHBondContact OG-ND1 3.03Å |
| 538 | G | 85.5 | Confident | 90.5 | Very high | 42 Ų | 42 | 29.9 Ų | 29.9 | 43% | 0.433 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L534 C535 W540 | L534-G538 PolarHBondContact O-N 3.5Å; C535-G538 PolarHBondContact O-N 3.28Å; G538-W540 VanDerWaalsContact C-N 3.28Å; G538-W540 PolarHBondContact O-N 3.38Å; G538-W540 VanDerWaalsContact O-N 3.07Å |
| 539 | H | 90.6 | Very high | 90.4 | Very high | 90 Ų | 90 | 35 Ų | 35 | 42% | 0.417 | 19% | 0.192 | S | C | . | . | trans | -86 | 66.2 | 178.3 | -63.1 | 93.1 | 0 | 0 | 0 | 110.9 | L534 S537 I541 E542 A543 | L534-H539 HydrophobicContact CB-CB 4.27Å; L534-H539 HydrophobicContact CD2-CB 3.73Å; L534-H539 PolarHBondContact O-N 2.89Å; S537-H539 VanDerWaalsContact C-N 3.32Å; S537-H539 WeakPolarHBondContact CB-ND1 3.32Å; S537-H539 PolarHBondContact O-N 3.38Å; S537-H539 PolarHBondContact O-ND1 3.31Å; S537-H539 PolarHBondContact OG-ND1 3.03Å; H539-I541 PolarHBondContact O-N 3.12Å; H539-E542 HydrophobicContact CB-CB 4.31Å; H539-E542 WeakPolarHBondContact CB-OE2 3.44Å; H539-A543 WeakPolarHBondContact O-CB 3.46Å; H539-A543 PolarHBondContact O-N 3.11Å | ||
| 540 | W | 93 | Very high | 90.5 | Very high | 62 Ų | 62 | 34.6 Ų | 34.6 | 24% | 0.235 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.1 | -39.3 | -171.4 | -58.1 | 104.1 | 0 | 0 | 0 | 113.6 | C535 G538 A543 A544 C568 N571 V572 | C535-W540 HydrophobicContact CB-CE3 4.29Å; C535-W540 HydrophobicContact CB-CH2 4.42Å; C535-W540 HydrophobicContact CB-CZ3 3.8Å; G538-W540 VanDerWaalsContact C-N 3.28Å; G538-W540 PolarHBondContact O-N 3.38Å; G538-W540 VanDerWaalsContact O-N 3.07Å; W540-A543 PolarHBondContact O-N 2.73Å; W540-A544 PolarHBondContact O-N 2.83Å; W540-C568 HydrophobicContact CB-CB 4.24Å; W540-C568 HydrophobicContact CE3-CB 4.41Å; W540-C568 VanDerWaalsContact O-CB 3.31Å; W540-C568 WeakPolarHBondContact O-CB 3.21Å; W540-N571 HydrophobicContact CD2-CB 3.84Å; W540-N571 HydrophobicContact CE3-CB 4.24Å; W540-N571 HydrophobicContact CG-CB 4.08Å; W540-N571 VanDerWaalsContact CH2-ND2 3.35Å; W540-N571 WeakPolarHBondContact CH2-ND2 3.44Å; W540-N571 HydrophobicContact CZ2-CB 4.44Å; W540-N571 WeakPolarHBondContact CZ3-ND2 3.34Å; W540-V572 HydrophobicContact CB-CG1 3.74Å; W540-V572 HydrophobicContact CG-CG1 4.04Å |
| 541 | I | 94.7 | Very high | 90.6 | Very high | 67 Ų | 67 | 35 Ų | 35 | 34% | 0.344 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.4 | -42.9 | -176.5 | -65 | 174.5 | 0 | 0 | 0 | 109.9 | H539 A544 N545 V572 M574 | H539-I541 PolarHBondContact O-N 3.12Å; I541-A544 PolarHBondContact O-N 3.24Å; I541-N545 PolarHBondContact O-N 3.29Å; I541-N545 PolarHBondContact O-ND2 2.95Å; I541-N545 PolarHBondContact O-OD1 3.27Å; I541-V572 HydrophobicContact CD1-CG2 4.37Å; I541-V572 HydrophobicContact CG1-CG1 4.41Å; I541-V572 HydrophobicContact CG1-CG2 3.98Å; I541-M574 HydrophobicContact CD1-SD 4.41Å |
| 542 | E | 93 | Very high | 90.5 | Very high | 91 Ų | 91 | 39.7 Ų | 39.7 | 43% | 0.425 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64 | -42 | 176.4 | -63.5 | 80.8 | 178.4 | 0 | 0 | 110.8 | L534 H539 N545 Q546 | L534-E542 HydrophobicContact CD1-CB 4Å; L534-E542 HydrophobicContact CD2-CB 3.97Å; H539-E542 HydrophobicContact CB-CB 4.31Å; H539-E542 WeakPolarHBondContact CB-OE2 3.44Å; E542-N545 PolarHBondContact O-N 2.86Å; E542-Q546 WeakPolarHBondContact O-CG 3.48Å; E542-Q546 PolarHBondContact O-N 2.97Å |
| 543 | A | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A531 L534 C535 H539 W540 N545 Q546 L547 | A531-A543 HydrophobicContact CB-CB 4.43Å; L534-A543 HydrophobicContact CB-CB 3.67Å; C535-A543 VanDerWaalsContact SG-CB 3.54Å; H539-A543 WeakPolarHBondContact O-CB 3.46Å; H539-A543 PolarHBondContact O-N 3.11Å; W540-A543 PolarHBondContact O-N 2.73Å; A543-N545 VanDerWaalsContact C-N 3.32Å; A543-N545 PolarHBondContact O-N 3.13Å; A543-Q546 WeakPolarHBondContact O-CB 3.41Å; A543-Q546 PolarHBondContact O-N 3.3Å; A543-L547 WeakPolarHBondContact O-CG 3.39Å; A543-L547 PolarHBondContact O-N 3.41Å; A543-L547 VanDerWaalsContact O-N 3.15Å |
| 544 | A | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.3 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W540 I541 Q546 L547 V548 A565 C568 Y569 | W540-A544 PolarHBondContact O-N 2.83Å; I541-A544 PolarHBondContact O-N 3.24Å; A544-Q546 VanDerWaalsContact C-N 3.31Å; A544-Q546 PolarHBondContact O-N 3.21Å; A544-L547 PolarHBondContact O-N 3.41Å; A544-V548 WeakPolarHBondContact O-CB 3.31Å; A544-V548 VanDerWaalsContact O-CG2 3.26Å; A544-V548 WeakPolarHBondContact O-CG2 3.17Å; A544-V548 PolarHBondContact O-N 3.32Å; A544-A565 HydrophobicContact CB-CB 3.94Å; A544-C568 HydrophobicContact CB-CB 3.84Å; A544-Y569 HydrophobicContact CB-CD1 4.37Å; A544-Y569 HydrophobicContact CB-CD2 4.39Å; A544-Y569 HydrophobicContact CB-CE1 3.81Å; A544-Y569 HydrophobicContact CB-CE2 3.86Å |
| 545 | N | 93.9 | Very high | 90.3 | Very high | 69 Ų | 69 | 44.8 Ų | 44.8 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.7 | -34.4 | 179.7 | -66.4 | -15.4 | 0 | 0 | 0 | 112.2 | I541 E542 A543 K549 Y569 | I541-N545 PolarHBondContact O-N 3.29Å; I541-N545 PolarHBondContact O-ND2 2.95Å; I541-N545 PolarHBondContact O-OD1 3.27Å; E542-N545 PolarHBondContact O-N 2.86Å; A543-N545 VanDerWaalsContact C-N 3.32Å; A543-N545 PolarHBondContact O-N 3.13Å; N545-K549 VanDerWaalsContact O-CG 3.31Å; N545-K549 WeakPolarHBondContact O-CG 3.38Å; N545-K549 PolarHBondContact O-N 3.47Å; N545-Y569 PolarHBondContact OD1-OH 2.9Å; N545-Y569 VanDerWaalsContact OD1-OH 3.07Å |
| 546 | Q | 92.4 | Very high | 90.2 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -46.1 | 173.8 | -73.3 | -64.8 | -35.2 | 0 | 0 | 112.1 | D507 S530 A531 L534 E542 A543 A544 K549 | D507-Q546 VanDerWaalsContact CG-NE2 3.32Å; D507-Q546 PolarHBondContact OD1-NE2 3.1Å; S530-Q546 WeakPolarHBondContact OG-CG 3.07Å; S530-Q546 PolarHBondContact OG-OE1 2.91Å; A531-Q546 HydrophobicContact CB-CB 4.46Å; L534-Q546 HydrophobicContact CD1-CG 3.6Å; E542-Q546 WeakPolarHBondContact O-CG 3.48Å; E542-Q546 PolarHBondContact O-N 2.97Å; A543-Q546 WeakPolarHBondContact O-CB 3.41Å; A543-Q546 PolarHBondContact O-N 3.3Å; A544-Q546 VanDerWaalsContact C-N 3.31Å; A544-Q546 PolarHBondContact O-N 3.21Å; Q546-K549 PolarHBondContact O-N 2.95Å |
| 547 | L | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.4 | -44.7 | -179.8 | -69.3 | 174.3 | 0 | 0 | 0 | 111.7 | A531 A543 A544 K549 V550 I551 F561 E564 | A531-L547 HydrophobicContact CB-CD1 3.99Å; A531-L547 HydrophobicContact CB-CD2 3.59Å; A531-L547 HydrophobicContact CB-CG 3.55Å; A543-L547 WeakPolarHBondContact O-CG 3.39Å; A543-L547 PolarHBondContact O-N 3.41Å; A543-L547 VanDerWaalsContact O-N 3.15Å; A544-L547 PolarHBondContact O-N 3.41Å; L547-K549 PolarHBondContact O-N 2.95Å; L547-V550 VanDerWaalsContact O-CG2 3.31Å; L547-V550 WeakPolarHBondContact O-CG2 3.32Å; L547-V550 PolarHBondContact O-N 3.2Å; L547-I551 WeakPolarHBondContact O-CG2 3.38Å; L547-F561 HydrophobicContact CB-CB 4.04Å; L547-F561 HydrophobicContact CB-CG 4.39Å; L547-F561 HydrophobicContact CD2-CB 4.43Å; L547-F561 HydrophobicContact CD2-CD1 3.98Å; L547-F561 HydrophobicContact CD2-CD2 4.24Å; L547-F561 HydrophobicContact CD2-CE1 4.3Å; L547-F561 HydrophobicContact CD2-CG 3.94Å; L547-E564 HydrophobicContact CD1-CB 3.84Å; L547-E564 HydrophobicContact CD1-CG 3.54Å |
| 548 | V | 94.3 | Very high | 90.9 | Very high | 43 Ų | 43 | 39.3 Ų | 39.3 | 26% | 0.261 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.4 | -31.8 | -179.2 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | A544 V550 I551 A565 | A544-V548 WeakPolarHBondContact O-CB 3.31Å; A544-V548 VanDerWaalsContact O-CG2 3.26Å; A544-V548 WeakPolarHBondContact O-CG2 3.17Å; A544-V548 PolarHBondContact O-N 3.32Å; V548-V550 PolarHBondContact O-N 2.98Å; V548-V550 VanDerWaalsContact O-N 3.16Å; V548-I551 HydrophobicContact CG1-CD1 4.38Å; V548-I551 WeakPolarHBondContact O-CG1 3.28Å; V548-I551 PolarHBondContact O-N 3.19Å; V548-A565 HydrophobicContact CG2-CB 3.87Å |
| 549 | K | 91.1 | Very high | 91.3 | Very high | 108 Ų | 108 | 37.3 Ų | 37.3 | 47% | 0.47 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.7 | 178.8 | -78.6 | 173.9 | -173.6 | -170.5 | 0 | 114.8 | D507 N545 Q546 L547 | D507-K549 IonicContact OD1-NZ 2.55Å; D507-K549 PolarHBondContact OD1-NZ 3Å; N545-K549 VanDerWaalsContact O-CG 3.31Å; N545-K549 WeakPolarHBondContact O-CG 3.38Å; N545-K549 PolarHBondContact O-N 3.47Å; Q546-K549 PolarHBondContact O-N 2.95Å; L547-K549 PolarHBondContact O-N 2.95Å |
| 550 | V | 93 | Very high | 91.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 10.7 | -173.5 | -64.4 | 0 | 0 | 0 | 0 | 113.4 | V510 A523 V524 A527 L547 V548 D552 K553 F561 | V510-V550 HydrophobicContact CG1-CG1 3.54Å; A523-V550 HydrophobicContact CB-CG1 4.23Å; V524-V550 HydrophobicContact CG2-CB 4.5Å; A527-V550 HydrophobicContact CB-CB 4.38Å; A527-V550 HydrophobicContact CB-CG1 3.92Å; A527-V550 HydrophobicContact CB-CG2 3.53Å; L547-V550 VanDerWaalsContact O-CG2 3.31Å; L547-V550 WeakPolarHBondContact O-CG2 3.32Å; L547-V550 PolarHBondContact O-N 3.2Å; V548-V550 PolarHBondContact O-N 2.98Å; V548-V550 VanDerWaalsContact O-N 3.16Å; V550-D552 PolarHBondContact O-N 3Å; V550-K553 HydrophobicContact CB-CG 4.16Å; V550-K553 WeakPolarHBondContact O-CB 3.45Å; V550-K553 PolarHBondContact O-N 3.21Å; V550-K553 VanDerWaalsContact O-N 3.11Å; V550-F561 HydrophobicContact CG2-CD2 3.69Å; V550-F561 HydrophobicContact CG2-CE2 3.63Å |
| 551 | I | 93.3 | Very high | 91.5 | Very high | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.046 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -24.9 | -175.8 | 65.2 | -178.7 | 0 | 0 | 0 | 113.5 | L547 V548 K553 G558 F561 L562 R588 | L547-I551 WeakPolarHBondContact O-CG2 3.38Å; V548-I551 HydrophobicContact CG1-CD1 4.38Å; V548-I551 WeakPolarHBondContact O-CG1 3.28Å; V548-I551 PolarHBondContact O-N 3.19Å; I551-K553 VanDerWaalsContact C-N 3.32Å; I551-G558 WeakPolarHBondContact O-CA 3.41Å; I551-F561 HydrophobicContact CG2-CB 4.11Å; I551-L562 HydrophobicContact CD1-CD2 4.1Å; I551-L562 HydrophobicContact CD1-CG 4.43Å; I551-L562 HydrophobicContact CG2-CD2 4.41Å; I551-L562 HydrophobicContact CG2-CG 4.09Å; I551-R588 PolarHBondContact O-NH1 3.16Å |
| 552 | D | 89.7 | Confident | 91.6 | Very high | 103 Ų | 103 | 27 Ų | 27 | 55% | 0.551 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -3.6 | -180 | -59.5 | -45 | 0 | 0 | 0 | 113 | V550 R588 | V550-D552 PolarHBondContact O-N 3Å; D552-R588 IonicContact OD1-CZ 3.72Å; D552-R588 IonicContact OD1-NH1 2.78Å; D552-R588 IonicContact OD1-NH2 3.92Å; D552-R588 PolarHBondContact OD1-NH2 3.19Å |
| 553 | K | 86.5 | Confident | 91.7 | Very high | 63 Ų | 63 | 22.9 Ų | 22.9 | 27% | 0.274 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -83.1 | -24.3 | -177.9 | -56.2 | -61.6 | -176.1 | 178 | 0 | 112.9 | G514 D515 P520 V524 V550 I551 | G514-K553 PolarHBondContact O-NZ 3.16Å; G514-K553 VanDerWaalsContact O-NZ 3.14Å; D515-K553 IonicContact OD1-NZ 3.66Å; D515-K553 PolarHBondContact OD1-NZ 2.87Å; P520-K553 HydrophobicContact CB-CB 3.77Å; P520-K553 HydrophobicContact CB-CD 4.46Å; P520-K553 HydrophobicContact CB-CG 4.49Å; V524-K553 HydrophobicContact CG2-CB 4.16Å; V550-K553 HydrophobicContact CB-CG 4.16Å; V550-K553 WeakPolarHBondContact O-CB 3.45Å; V550-K553 PolarHBondContact O-N 3.21Å; V550-K553 VanDerWaalsContact O-N 3.11Å; I551-K553 VanDerWaalsContact C-N 3.32Å |
| 554 | D | 86.2 | Confident | 91.7 | Very high | 13 Ų | 13 | 23.5 Ų | 23.5 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | trans | -154.8 | 139.3 | 172.5 | 178.8 | 85.4 | 0 | 0 | 0 | 110.6 | R92 V556 A557 G558 | R92-D554 IonicContact CZ-OD1 3.27Å; R92-D554 IonicContact NE-OD1 2.88Å; R92-D554 PolarHBondContact NE-OD1 3.33Å; R92-D554 IonicContact NH2-OD1 3.54Å; R92-D554 PolarHBondContact NH2-OD1 3.42Å; D554-V556 PolarHBondContact O-N 3.4Å; D554-V556 PolarHBondContact OD2-N 3.49Å; D554-A557 HydrophobicContact CB-CB 3.82Å; D554-A557 PolarHBondContact OD2-N 3.01Å; D554-G558 PolarHBondContact O-N 3.23Å | ||
| 555 | A | 82.9 | Confident | 91.8 | Very high | 54 Ų | 54 | 23.5 Ų | 23.5 | 45% | 0.446 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -64.2 | -41.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A559 V592 | A555-A559 PolarHBondContact O-N 2.99Å; A555-V592 HydrophobicContact CB-CG1 4.25Å |
| 556 | V | 86.1 | Confident | 91.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -79.5 | -43.1 | -178.6 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | W96 M99 Y128 D554 G558 A559 L560 V592 L594 | W96-V556 HydrophobicContact CG-CG2 4.44Å; W96-V556 HydrophobicContact CZ2-CG2 4.27Å; M99-V556 HydrophobicContact CE-CG1 3.98Å; M99-V556 HydrophobicContact SD-CG1 3.41Å; M99-V556 WeakPolarHBondContact SD-CG1 2.96Å; Y128-V556 HydrophobicContact CE2-CG1 4.16Å; D554-V556 PolarHBondContact O-N 3.4Å; D554-V556 PolarHBondContact OD2-N 3.49Å; V556-G558 PolarHBondContact O-N 3.47Å; V556-A559 PolarHBondContact O-N 3.25Å; V556-L560 WeakPolarHBondContact O-CB 3.33Å; V556-L560 PolarHBondContact O-N 3.48Å; V556-V592 HydrophobicContact CG2-CB 4.14Å; V556-V592 HydrophobicContact CG2-CG1 3.86Å; V556-V592 HydrophobicContact CG2-CG2 4.13Å; V556-L594 HydrophobicContact CG1-CD1 4.32Å; V556-L594 HydrophobicContact CG2-CD1 4.45Å |
| 557 | A | 88.7 | Confident | 91.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55 | -44.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y128 V524 D554 A559 L560 F561 | Y128-A557 WeakPolarHBondContact OH-CB 3.48Å; V524-A557 HydrophobicContact CG1-CB 4.25Å; V524-A557 HydrophobicContact CG2-CB 4.41Å; D554-A557 HydrophobicContact CB-CB 3.82Å; D554-A557 PolarHBondContact OD2-N 3.01Å; A557-A559 PolarHBondContact O-N 3.29Å; A557-L560 PolarHBondContact O-N 3.07Å; A557-F561 HydrophobicContact CB-CD2 4.28Å; A557-F561 HydrophobicContact CB-CE2 3.93Å; A557-F561 HydrophobicContact CB-CZ 4.09Å; A557-F561 WeakPolarHBondContact O-CB 3.43Å; A557-F561 WeakPolarHBondContact O-CD1 3.49Å; A557-F561 WeakPolarHBondContact O-CD2 3.17Å; A557-F561 WeakPolarHBondContact O-CG 3.29Å; A557-F561 PolarHBondContact O-N 2.85Å |
| 558 | G | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I551 D554 V556 L562 | I551-G558 WeakPolarHBondContact O-CA 3.41Å; D554-G558 PolarHBondContact O-N 3.23Å; V556-G558 PolarHBondContact O-N 3.47Å; G558-L562 WeakPolarHBondContact O-CB 3.35Å; G558-L562 WeakPolarHBondContact O-CD1 3.49Å; G558-L562 VanDerWaalsContact O-CG 3.23Å; G558-L562 WeakPolarHBondContact O-CG 3.26Å; G558-L562 PolarHBondContact O-N 3.11Å |
| 559 | A | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.7 | -48.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A555 V556 A557 F561 L562 E563 A585 R588 F589 | A555-A559 PolarHBondContact O-N 2.99Å; V556-A559 PolarHBondContact O-N 3.25Å; A557-A559 PolarHBondContact O-N 3.29Å; A559-F561 VanDerWaalsContact C-N 3.34Å; A559-F561 PolarHBondContact O-N 3.13Å; A559-L562 PolarHBondContact O-N 3.41Å; A559-E563 PolarHBondContact O-N 3.25Å; A559-E563 VanDerWaalsContact O-N 3.11Å; A559-A585 WeakPolarHBondContact O-CB 3.19Å; A559-R588 HydrophobicContact CB-CB 3.59Å; A559-F589 HydrophobicContact CB-CD1 3.53Å; A559-F589 HydrophobicContact CB-CD2 4.1Å; A559-F589 HydrophobicContact CB-CE1 3.53Å; A559-F589 HydrophobicContact CB-CE2 4.12Å; A559-F589 HydrophobicContact CB-CG 3.81Å; A559-F589 HydrophobicContact CB-CZ 3.84Å |
| 560 | L | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | -178.7 | -160.3 | 106.4 | 0 | 0 | 0 | 112.3 | M99 F125 Y128 V556 A557 E563 E564 | M99-L560 HydrophobicContact CE-CD1 3.18Å; M99-L560 HydrophobicContact SD-CD1 3.85Å; F125-L560 HydrophobicContact CB-CD2 4.31Å; F125-L560 HydrophobicContact CB-CG 4.36Å; F125-L560 HydrophobicContact CD2-CD2 3.28Å; F125-L560 HydrophobicContact CD2-CG 3.78Å; F125-L560 HydrophobicContact CE2-CD2 3.87Å; F125-L560 HydrophobicContact CG-CD2 4.14Å; Y128-L560 HydrophobicContact CD1-CD2 3.49Å; Y128-L560 VanDerWaalsContact CD1-CD2 3.49Å; Y128-L560 HydrophobicContact CE1-CD2 4.09Å; Y128-L560 HydrophobicContact CG-CD1 4.37Å; Y128-L560 HydrophobicContact CG-CD2 3.8Å; V556-L560 WeakPolarHBondContact O-CB 3.33Å; V556-L560 PolarHBondContact O-N 3.48Å; A557-L560 PolarHBondContact O-N 3.07Å; L560-E563 WeakPolarHBondContact O-CB 3.31Å; L560-E563 PolarHBondContact O-N 3.44Å; L560-E564 WeakPolarHBondContact O-CB 3.49Å; L560-E564 PolarHBondContact O-N 2.84Å |
| 561 | F | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -75.9 | -32.3 | -177.5 | -71.1 | -0.4 | 0 | 0 | 0 | 112.4 | F125 Y128 V524 L528 L547 V550 I551 A557 A559 E564 A565 | F125-F561 HydrophobicContact CE2-CD1 4.41Å; Y128-F561 HydrophobicContact CE1-CE1 4.38Å; V524-F561 HydrophobicContact CG1-CE2 3.9Å; V524-F561 HydrophobicContact CG1-CZ 3.73Å; V524-F561 HydrophobicContact CG2-CE2 4.45Å; L528-F561 HydrophobicContact CD1-CD1 4.34Å; L528-F561 HydrophobicContact CD1-CE1 3.32Å; L528-F561 HydrophobicContact CD1-CZ 3.63Å; L547-F561 HydrophobicContact CB-CB 4.04Å; L547-F561 HydrophobicContact CB-CG 4.39Å; L547-F561 HydrophobicContact CD2-CB 4.43Å; L547-F561 HydrophobicContact CD2-CD1 3.98Å; L547-F561 HydrophobicContact CD2-CD2 4.24Å; L547-F561 HydrophobicContact CD2-CE1 4.3Å; L547-F561 HydrophobicContact CD2-CG 3.94Å; V550-F561 HydrophobicContact CG2-CD2 3.69Å; V550-F561 HydrophobicContact CG2-CE2 3.63Å; I551-F561 HydrophobicContact CG2-CB 4.11Å; A557-F561 HydrophobicContact CB-CD2 4.28Å; A557-F561 HydrophobicContact CB-CE2 3.93Å; A557-F561 HydrophobicContact CB-CZ 4.09Å; A557-F561 WeakPolarHBondContact O-CB 3.43Å; A557-F561 WeakPolarHBondContact O-CD1 3.49Å; A557-F561 WeakPolarHBondContact O-CD2 3.17Å; A557-F561 WeakPolarHBondContact O-CG 3.29Å; A557-F561 PolarHBondContact O-N 2.85Å; A559-F561 VanDerWaalsContact C-N 3.34Å; A559-F561 PolarHBondContact O-N 3.13Å; F561-E564 PolarHBondContact O-N 3.28Å; F561-A565 WeakPolarHBondContact O-CB 3.31Å; F561-A565 PolarHBondContact O-N 3.47Å |
| 562 | L | 96.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.7 | -41.1 | 169.3 | -74.6 | 164.8 | 0 | 0 | 0 | 111.3 | I551 G558 A559 A565 A566 L584 A585 R588 | I551-L562 HydrophobicContact CD1-CD2 4.1Å; I551-L562 HydrophobicContact CD1-CG 4.43Å; I551-L562 HydrophobicContact CG2-CD2 4.41Å; I551-L562 HydrophobicContact CG2-CG 4.09Å; G558-L562 WeakPolarHBondContact O-CB 3.35Å; G558-L562 WeakPolarHBondContact O-CD1 3.49Å; G558-L562 VanDerWaalsContact O-CG 3.23Å; G558-L562 WeakPolarHBondContact O-CG 3.26Å; G558-L562 PolarHBondContact O-N 3.11Å; A559-L562 PolarHBondContact O-N 3.41Å; L562-A565 PolarHBondContact O-N 2.81Å; L562-A566 WeakPolarHBondContact O-CB 3.36Å; L562-A566 PolarHBondContact O-N 3.42Å; L562-L584 HydrophobicContact CD1-CB 3.82Å; L562-L584 HydrophobicContact CD2-CB 4.25Å; L562-L584 HydrophobicContact CD2-CD1 4.35Å; L562-A585 HydrophobicContact CB-CB 3.78Å; L562-R588 HydrophobicContact CD1-CG 4.42Å |
| 563 | E | 94.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 2% | 0.023 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 174.2 | -172.4 | -173.8 | -175.3 | 0 | 0 | 111.3 | W124 A559 L560 A566 R567 L582 A585 F589 R604 | W124-E563 VanDerWaalsContact CZ2-OE1 3.28Å; W124-E563 WeakPolarHBondContact CZ2-OE1 3.38Å; W124-E563 PolarHBondContact NE1-OE2 2.63Å; A559-E563 PolarHBondContact O-N 3.25Å; A559-E563 VanDerWaalsContact O-N 3.11Å; L560-E563 WeakPolarHBondContact O-CB 3.31Å; L560-E563 PolarHBondContact O-N 3.44Å; E563-A566 VanDerWaalsContact O-CB 3.3Å; E563-A566 WeakPolarHBondContact O-CB 3.49Å; E563-A566 PolarHBondContact O-N 2.89Å; E563-R567 PolarHBondContact O-N 3.13Å; E563-L582 HydrophobicContact CG-CD2 4.07Å; E563-A585 HydrophobicContact CB-CB 4.11Å; E563-F589 HydrophobicContact CB-CE2 4.39Å; E563-R604 IonicContact OE1-NH1 3.53Å; E563-R604 PolarHBondContact OE1-NH1 3.49Å |
| 564 | E | 94.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 24.8 Ų | 24.8 | 6% | 0.056 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.6 | -36.2 | -179.6 | -175.3 | 69.6 | 171.2 | 0 | 0 | 112.6 | F125 L547 L560 F561 A566 R567 C568 | F125-E564 HydrophobicContact CD2-CB 3.89Å; F125-E564 HydrophobicContact CD2-CG 4.03Å; F125-E564 HydrophobicContact CE1-CG 4.26Å; F125-E564 HydrophobicContact CE2-CB 3.72Å; F125-E564 HydrophobicContact CE2-CG 3.53Å; F125-E564 HydrophobicContact CZ-CB 4.36Å; F125-E564 HydrophobicContact CZ-CG 3.66Å; L547-E564 HydrophobicContact CD1-CB 3.84Å; L547-E564 HydrophobicContact CD1-CG 3.54Å; L560-E564 WeakPolarHBondContact O-CB 3.49Å; L560-E564 PolarHBondContact O-N 2.84Å; F561-E564 PolarHBondContact O-N 3.28Å; E564-A566 VanDerWaalsContact C-N 3.28Å; E564-A566 PolarHBondContact O-N 3.12Å; E564-R567 VanDerWaalsContact CD-NE 3.26Å; E564-R567 WeakPolarHBondContact O-CB 3.43Å; E564-R567 PolarHBondContact O-N 2.84Å; E564-R567 IonicContact OE1-CZ 3.66Å; E564-R567 VanDerWaalsContact OE1-CZ 3.26Å; E564-R567 IonicContact OE1-NE 3.11Å; E564-R567 PolarHBondContact OE1-NE 3.33Å; E564-R567 VanDerWaalsContact OE1-NE 3.12Å; E564-R567 IonicContact OE1-NH2 2.75Å; E564-R567 PolarHBondContact OE1-NH2 3.31Å; E564-R567 IonicContact OE2-CZ 2.97Å; E564-R567 IonicContact OE2-NE 3.76Å; E564-R567 PolarHBondContact OE2-NE 3.12Å; E564-R567 IonicContact OE2-NH2 2.75Å; E564-C568 PolarHBondContact O-N 3.17Å; E564-C568 PolarHBondContact O-SG 3.39Å |
| 565 | A | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62 | -38.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A544 V548 F561 L562 C568 Y569 | A544-A565 HydrophobicContact CB-CB 3.94Å; V548-A565 HydrophobicContact CG2-CB 3.87Å; F561-A565 WeakPolarHBondContact O-CB 3.31Å; F561-A565 PolarHBondContact O-N 3.47Å; L562-A565 PolarHBondContact O-N 2.81Å; A565-C568 WeakPolarHBondContact O-CB 3.48Å; A565-C568 PolarHBondContact O-N 2.9Å; A565-Y569 HydrophobicContact CB-CE2 4.48Å; A565-Y569 WeakPolarHBondContact O-CD2 3.41Å; A565-Y569 PolarHBondContact O-N 3.27Å |
| 566 | A | 95.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L562 E563 E564 C568 Y569 Y570 A578 H581 L582 | L562-A566 WeakPolarHBondContact O-CB 3.36Å; L562-A566 PolarHBondContact O-N 3.42Å; E563-A566 VanDerWaalsContact O-CB 3.3Å; E563-A566 WeakPolarHBondContact O-CB 3.49Å; E563-A566 PolarHBondContact O-N 2.89Å; E564-A566 VanDerWaalsContact C-N 3.28Å; E564-A566 PolarHBondContact O-N 3.12Å; A566-C568 VanDerWaalsContact C-N 3.31Å; A566-C568 PolarHBondContact O-N 3.44Å; A566-Y569 PolarHBondContact O-N 3.22Å; A566-Y570 WeakPolarHBondContact O-CB 3.38Å; A566-Y570 PolarHBondContact O-N 2.83Å; A566-A578 HydrophobicContact CB-CB 4.43Å; A566-A578 VanDerWaalsContact CB-O 3.3Å; A566-A578 WeakPolarHBondContact CB-O 3.39Å; A566-A578 VanDerWaalsContact O-CB 3.28Å; A566-A578 WeakPolarHBondContact O-CB 3.2Å; A566-H581 HydrophobicContact CB-CB 3.76Å; A566-L582 HydrophobicContact CB-CD1 4.48Å; A566-L582 HydrophobicContact CB-CD2 3.96Å; A566-L582 HydrophobicContact CB-CG 3.64Å |
| 567 | R | 93.8 | Very high | 92.9 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 6% | 0.06 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 172.7 | -174.6 | -175.5 | 69.6 | 83.4 | 3.1 | 111.2 | S119 E120 E563 E564 Y569 Y570 N571 | S119-R567 PolarHBondContact O-NH1 2.94Å; E120-R567 WeakPolarHBondContact O-CD 3.47Å; E563-R567 PolarHBondContact O-N 3.13Å; E564-R567 VanDerWaalsContact CD-NE 3.26Å; E564-R567 WeakPolarHBondContact O-CB 3.43Å; E564-R567 PolarHBondContact O-N 2.84Å; E564-R567 IonicContact OE1-CZ 3.66Å; E564-R567 VanDerWaalsContact OE1-CZ 3.26Å; E564-R567 IonicContact OE1-NE 3.11Å; E564-R567 PolarHBondContact OE1-NE 3.33Å; E564-R567 VanDerWaalsContact OE1-NE 3.12Å; E564-R567 IonicContact OE1-NH2 2.75Å; E564-R567 PolarHBondContact OE1-NH2 3.31Å; E564-R567 IonicContact OE2-CZ 2.97Å; E564-R567 IonicContact OE2-NE 3.76Å; E564-R567 PolarHBondContact OE2-NE 3.12Å; E564-R567 IonicContact OE2-NH2 2.75Å; R567-Y569 PolarHBondContact O-N 3.22Å; R567-Y570 WeakPolarHBondContact O-CB 3.36Å; R567-Y570 PolarHBondContact O-N 3.41Å; R567-N571 PolarHBondContact O-N 2.93Å |
| 568 | C | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 176.4 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | C535 W540 A544 E564 A565 A566 Y570 N571 V572 | C535-C568 VanDerWaalsContact SG-SG 3.66Å; W540-C568 HydrophobicContact CB-CB 4.24Å; W540-C568 HydrophobicContact CE3-CB 4.41Å; W540-C568 VanDerWaalsContact O-CB 3.31Å; W540-C568 WeakPolarHBondContact O-CB 3.21Å; A544-C568 HydrophobicContact CB-CB 3.84Å; E564-C568 PolarHBondContact O-N 3.17Å; E564-C568 PolarHBondContact O-SG 3.39Å; A565-C568 WeakPolarHBondContact O-CB 3.48Å; A565-C568 PolarHBondContact O-N 2.9Å; A566-C568 VanDerWaalsContact C-N 3.31Å; A566-C568 PolarHBondContact O-N 3.44Å; C568-Y570 VanDerWaalsContact C-N 3.29Å; C568-Y570 PolarHBondContact O-N 3Å; C568-N571 PolarHBondContact O-N 3.18Å; C568-V572 PolarHBondContact O-N 3.16Å |
| 569 | Y | 94.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -32 | 175.9 | -68.6 | -48 | 0 | 0 | 0 | 113.1 | A544 N545 A565 A566 R567 V572 R573 M574 K577 H581 | A544-Y569 HydrophobicContact CB-CD1 4.37Å; A544-Y569 HydrophobicContact CB-CD2 4.39Å; A544-Y569 HydrophobicContact CB-CE1 3.81Å; A544-Y569 HydrophobicContact CB-CE2 3.86Å; N545-Y569 PolarHBondContact OD1-OH 2.9Å; N545-Y569 VanDerWaalsContact OD1-OH 3.07Å; A565-Y569 HydrophobicContact CB-CE2 4.48Å; A565-Y569 WeakPolarHBondContact O-CD2 3.41Å; A565-Y569 PolarHBondContact O-N 3.27Å; A566-Y569 PolarHBondContact O-N 3.22Å; R567-Y569 PolarHBondContact O-N 3.22Å; Y569-V572 VanDerWaalsContact O-CG2 3.32Å; Y569-V572 WeakPolarHBondContact O-CG2 3.36Å; Y569-V572 PolarHBondContact O-N 3.21Å; Y569-R573 PolarHBondContact O-N 2.86Å; Y569-M574 HydrophobicContact CD1-SD 4.15Å; Y569-M574 WeakPolarHBondContact O-CB 3.48Å; Y569-M574 PolarHBondContact O-N 3.45Å; Y569-K577 HydrophobicContact CD1-CD 3.96Å; Y569-K577 HydrophobicContact CD1-CG 4.43Å; Y569-K577 HydrophobicContact CD2-CD 4.15Å; Y569-K577 HydrophobicContact CD2-CG 3.88Å; Y569-K577 HydrophobicContact CE1-CD 3.83Å; Y569-K577 HydrophobicContact CE2-CD 3.99Å; Y569-K577 HydrophobicContact CE2-CG 4.02Å; Y569-K577 HydrophobicContact CG-CB 4.39Å; Y569-K577 HydrophobicContact CG-CD 4.14Å; Y569-K577 HydrophobicContact CG-CG 4.1Å; Y569-K577 WeakPolarHBondContact OH-CE 3.38Å; Y569-K577 PolarHBondContact OH-NZ 3.46Å; Y569-H581 AromaticContact CD2-ND1 3.89Å; Y569-H581 AromaticContact CE2-CD2 3.91Å; Y569-H581 AromaticContact CE2-CE1 3.49Å; Y569-H581 VanDerWaalsContact CE2-CE1 3.49Å; Y569-H581 WeakPolarHBondContact CE2-CE1 3.41Å; Y569-H581 AromaticContact CE2-ND1 3.82Å; Y569-H581 AromaticContact CE2-NE2 3.53Å |
| 570 | Y | 92.8 | Very high | 93.2 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 17% | 0.173 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 174.5 | -176.3 | -90.4 | 0 | 0 | 0 | 111.7 | T117 A566 R567 C568 V572 R573 Y575 M608 | T117-Y570 PolarHBondContact N-OH 3.34Å; T117-Y570 WeakPolarHBondContact O-CE1 3.46Å; T117-Y570 WeakPolarHBondContact OG1-CE2 3.49Å; A566-Y570 WeakPolarHBondContact O-CB 3.38Å; A566-Y570 PolarHBondContact O-N 2.83Å; R567-Y570 WeakPolarHBondContact O-CB 3.36Å; R567-Y570 PolarHBondContact O-N 3.41Å; C568-Y570 VanDerWaalsContact C-N 3.29Å; C568-Y570 PolarHBondContact O-N 3Å; Y570-V572 PolarHBondContact O-N 3Å; Y570-R573 WeakPolarHBondContact O-CA 3.23Å; Y570-R573 PolarHBondContact O-N 3.34Å; Y570-Y575 AromaticContact CD2-CD1 3.54Å; Y570-Y575 HydrophobicContact CD2-CD1 3.54Å; Y570-Y575 AromaticContact CD2-CE1 3.69Å; Y570-Y575 HydrophobicContact CD2-CE1 3.69Å; Y570-Y575 AromaticContact CE2-CD1 3.57Å; Y570-Y575 HydrophobicContact CE2-CD1 3.57Å; Y570-Y575 AromaticContact CE2-CE1 3.45Å; Y570-Y575 HydrophobicContact CE2-CE1 3.45Å; Y570-Y575 VanDerWaalsContact CE2-CE1 3.45Å; Y570-Y575 HydrophobicContact CG-CD1 4.46Å; Y570-Y575 HydrophobicContact CG-CE1 4.39Å; Y570-Y575 AromaticContact CZ-CE1 3.97Å; Y570-M608 HydrophobicContact CD2-CE 3.46Å; Y570-M608 VanDerWaalsContact CD2-CE 3.46Å; Y570-M608 HydrophobicContact CD2-SD 4.36Å; Y570-M608 HydrophobicContact CE2-CE 3.89Å; Y570-M608 HydrophobicContact CG-CE 4.45Å |
| 571 | N | 91 | Very high | 93.3 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 23% | 0.225 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -25.5 | 179.4 | -74.3 | -18.6 | 0 | 0 | 0 | 113.5 | W540 R567 C568 | W540-N571 HydrophobicContact CD2-CB 3.84Å; W540-N571 HydrophobicContact CE3-CB 4.24Å; W540-N571 HydrophobicContact CG-CB 4.08Å; W540-N571 VanDerWaalsContact CH2-ND2 3.35Å; W540-N571 WeakPolarHBondContact CH2-ND2 3.44Å; W540-N571 HydrophobicContact CZ2-CB 4.44Å; W540-N571 WeakPolarHBondContact CZ3-ND2 3.34Å; R567-N571 PolarHBondContact O-N 2.93Å; C568-N571 PolarHBondContact O-N 3.18Å |
| 572 | V | 93 | Very high | 93.3 | Very high | 52 Ų | 52 | 42.4 Ų | 42.4 | 32% | 0.315 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 16.1 | 172.9 | -64 | 0 | 0 | 0 | 0 | 113.6 | W540 I541 C568 Y569 Y570 M574 | W540-V572 HydrophobicContact CB-CG1 3.74Å; W540-V572 HydrophobicContact CG-CG1 4.04Å; I541-V572 HydrophobicContact CD1-CG2 4.37Å; I541-V572 HydrophobicContact CG1-CG1 4.41Å; I541-V572 HydrophobicContact CG1-CG2 3.98Å; C568-V572 PolarHBondContact O-N 3.16Å; Y569-V572 VanDerWaalsContact O-CG2 3.32Å; Y569-V572 WeakPolarHBondContact O-CG2 3.36Å; Y569-V572 PolarHBondContact O-N 3.21Å; Y570-V572 PolarHBondContact O-N 3Å; V572-M574 HydrophobicContact CG2-CB 4.42Å; V572-M574 HydrophobicContact CG2-CG 3.98Å; V572-M574 HydrophobicContact CG2-SD 4.1Å; V572-M574 PolarHBondContact O-N 3.49Å |
| 573 | R | 91.4 | Very high | 93.3 | Very high | 198 Ų | 198 | 42.5 Ų | 42.5 | 75% | 0.747 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 22 | 177.1 | -52 | -176.8 | 177 | -178 | -2.4 | 115.1 | Y569 Y570 Y575 | Y569-R573 PolarHBondContact O-N 2.86Å; Y570-R573 WeakPolarHBondContact O-CA 3.23Å; Y570-R573 PolarHBondContact O-N 3.34Å; R573-Y575 HydrophobicContact CB-CE2 4Å; R573-Y575 WeakPolarHBondContact O-CD2 3.12Å; R573-Y575 PolarHBondContact O-N 3.01Å; R573-Y575 VanDerWaalsContact O-N 3.1Å |
| 574 | M | 92 | Very high | 93.2 | Very high | 78 Ų | 78 | 43.6 Ų | 43.6 | 38% | 0.384 | 19% | 0.187 | S | C | . | . | trans | -86.1 | 58.5 | 172.8 | -64.5 | -178.1 | 77.6 | 0 | 0 | 110.9 | I541 Y569 V572 R576 K577 A578 | I541-M574 HydrophobicContact CD1-SD 4.41Å; Y569-M574 HydrophobicContact CD1-SD 4.15Å; Y569-M574 WeakPolarHBondContact O-CB 3.48Å; Y569-M574 PolarHBondContact O-N 3.45Å; V572-M574 HydrophobicContact CG2-CB 4.42Å; V572-M574 HydrophobicContact CG2-CG 3.98Å; V572-M574 HydrophobicContact CG2-SD 4.1Å; V572-M574 PolarHBondContact O-N 3.49Å; M574-R576 VanDerWaalsContact C-N 3.3Å; M574-R576 PolarHBondContact O-N 3.07Å; M574-K577 HydrophobicContact CB-CB 4.16Å; M574-K577 HydrophobicContact CE-CB 4.41Å; M574-K577 HydrophobicContact CE-CD 3.73Å; M574-K577 PolarHBondContact O-N 3.1Å; M574-A578 PolarHBondContact O-N 3.31Å | ||
| 575 | Y | 89.3 | Confident | 93.3 | Very high | 106 Ų | 106 | 43 Ų | 43 | 42% | 0.416 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -55.5 | -39.6 | -169.9 | -56.3 | -62 | 0 | 0 | 0 | 114.2 | Y570 R573 K577 A578 A579 | Y570-Y575 AromaticContact CD2-CD1 3.54Å; Y570-Y575 HydrophobicContact CD2-CD1 3.54Å; Y570-Y575 AromaticContact CD2-CE1 3.69Å; Y570-Y575 HydrophobicContact CD2-CE1 3.69Å; Y570-Y575 AromaticContact CE2-CD1 3.57Å; Y570-Y575 HydrophobicContact CE2-CD1 3.57Å; Y570-Y575 AromaticContact CE2-CE1 3.45Å; Y570-Y575 HydrophobicContact CE2-CE1 3.45Å; Y570-Y575 VanDerWaalsContact CE2-CE1 3.45Å; Y570-Y575 HydrophobicContact CG-CD1 4.46Å; Y570-Y575 HydrophobicContact CG-CE1 4.39Å; Y570-Y575 AromaticContact CZ-CE1 3.97Å; R573-Y575 HydrophobicContact CB-CE2 4Å; R573-Y575 WeakPolarHBondContact O-CD2 3.12Å; R573-Y575 PolarHBondContact O-N 3.01Å; R573-Y575 VanDerWaalsContact O-N 3.1Å; Y575-K577 PolarHBondContact O-N 3.25Å; Y575-A578 PolarHBondContact O-N 2.94Å; Y575-A579 WeakPolarHBondContact O-CB 3.41Å; Y575-A579 PolarHBondContact O-N 3.21Å |
| 576 | R | 88.9 | Confident | 93.2 | Very high | 156 Ų | 156 | 43 Ų | 43 | 59% | 0.589 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -65 | -41.5 | 178.3 | -173.1 | 175.6 | 176.4 | -166.2 | -6.1 | 111.9 | M574 F580 | M574-R576 VanDerWaalsContact C-N 3.3Å; M574-R576 PolarHBondContact O-N 3.07Å; R576-F580 WeakPolarHBondContact O-CB 3.44Å; R576-F580 PolarHBondContact O-N 3.49Å |
| 577 | K | 92 | Very high | 93.1 | Very high | 80 Ų | 80 | 44 Ų | 44 | 35% | 0.348 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.3 | -40.4 | 177.1 | -164.7 | 171.4 | -175.9 | -177.3 | 0 | 110.4 | Y569 M574 Y575 F580 H581 | Y569-K577 HydrophobicContact CD1-CD 3.96Å; Y569-K577 HydrophobicContact CD1-CG 4.43Å; Y569-K577 HydrophobicContact CD2-CD 4.15Å; Y569-K577 HydrophobicContact CD2-CG 3.88Å; Y569-K577 HydrophobicContact CE1-CD 3.83Å; Y569-K577 HydrophobicContact CE2-CD 3.99Å; Y569-K577 HydrophobicContact CE2-CG 4.02Å; Y569-K577 HydrophobicContact CG-CB 4.39Å; Y569-K577 HydrophobicContact CG-CD 4.14Å; Y569-K577 HydrophobicContact CG-CG 4.1Å; Y569-K577 WeakPolarHBondContact OH-CE 3.38Å; Y569-K577 PolarHBondContact OH-NZ 3.46Å; M574-K577 HydrophobicContact CB-CB 4.16Å; M574-K577 HydrophobicContact CE-CB 4.41Å; M574-K577 HydrophobicContact CE-CD 3.73Å; M574-K577 PolarHBondContact O-N 3.1Å; Y575-K577 PolarHBondContact O-N 3.25Å; K577-F580 PolarHBondContact O-N 3.25Å; K577-H581 PolarHBondContact O-N 3.31Å; K577-H581 VanDerWaalsContact O-N 3.09Å; K577-H581 PolarHBondContact O-ND1 2.92Å |
| 578 | A | 93.5 | Very high | 93 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.1 | -51.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | A566 M574 Y575 F580 H581 L582 M608 | A566-A578 HydrophobicContact CB-CB 4.43Å; A566-A578 VanDerWaalsContact CB-O 3.3Å; A566-A578 WeakPolarHBondContact CB-O 3.39Å; A566-A578 VanDerWaalsContact O-CB 3.28Å; A566-A578 WeakPolarHBondContact O-CB 3.2Å; M574-A578 PolarHBondContact O-N 3.31Å; Y575-A578 PolarHBondContact O-N 2.94Å; A578-F580 VanDerWaalsContact C-N 3.3Å; A578-F580 PolarHBondContact O-N 3.45Å; A578-H581 PolarHBondContact O-N 3Å; A578-H581 VanDerWaalsContact O-N 3.12Å; A578-L582 PolarHBondContact O-N 3.5Å; A578-M608 HydrophobicContact CB-CE 4.32Å; A578-M608 HydrophobicContact CB-SD 4.06Å |
| 579 | A | 92.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.1 | -40.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y575 L582 I583 A605 M608 Y609 | Y575-A579 WeakPolarHBondContact O-CB 3.41Å; Y575-A579 PolarHBondContact O-N 3.21Å; A579-L582 PolarHBondContact O-N 2.76Å; A579-I583 WeakPolarHBondContact O-CG1 3.22Å; A579-I583 PolarHBondContact O-N 3.48Å; A579-A605 HydrophobicContact CB-CB 4.42Å; A579-M608 HydrophobicContact CB-CB 3.96Å; A579-M608 HydrophobicContact CB-CG 4.42Å; A579-M608 HydrophobicContact CB-SD 3.79Å; A579-Y609 HydrophobicContact CB-CD2 4.17Å; A579-Y609 HydrophobicContact CB-CE2 3.49Å; A579-Y609 VanDerWaalsContact CB-CE2 3.49Å |
| 580 | F | 93.7 | Very high | 92.7 | Very high | 78 Ų | 78 | 46.4 Ų | 46.4 | 34% | 0.342 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 175.5 | -176.6 | -102.5 | 0 | 0 | 0 | 112.7 | P308 R576 K577 A578 L582 I583 L584 | P308-F580 HydrophobicContact CG-CD2 4.29Å; P308-F580 HydrophobicContact CG-CE1 4.43Å; P308-F580 HydrophobicContact CG-CE2 3.33Å; P308-F580 HydrophobicContact CG-CZ 3.42Å; P308-F580 VanDerWaalsContact CG-CZ 3.42Å; R576-F580 WeakPolarHBondContact O-CB 3.44Å; R576-F580 PolarHBondContact O-N 3.49Å; K577-F580 PolarHBondContact O-N 3.25Å; A578-F580 VanDerWaalsContact C-N 3.3Å; A578-F580 PolarHBondContact O-N 3.45Å; F580-L582 VanDerWaalsContact C-N 3.34Å; F580-I583 PolarHBondContact O-N 3.29Å; F580-L584 HydrophobicContact CD1-CD1 3.8Å; F580-L584 HydrophobicContact CE1-CD1 3.47Å; F580-L584 VanDerWaalsContact CE1-CD1 3.47Å; F580-L584 HydrophobicContact CE1-CG 4.32Å; F580-L584 HydrophobicContact CZ-CD1 4.14Å; F580-L584 PolarHBondContact O-N 2.98Å; F580-L584 VanDerWaalsContact O-N 3.08Å |
| 581 | H | 95 | Very high | 92.5 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69 | -33.4 | 176.7 | -73.6 | 70.3 | 0 | 0 | 0 | 112 | A566 Y569 K577 A578 L584 A585 | A566-H581 HydrophobicContact CB-CB 3.76Å; Y569-H581 AromaticContact CD2-ND1 3.89Å; Y569-H581 AromaticContact CE2-CD2 3.91Å; Y569-H581 AromaticContact CE2-CE1 3.49Å; Y569-H581 VanDerWaalsContact CE2-CE1 3.49Å; Y569-H581 WeakPolarHBondContact CE2-CE1 3.41Å; Y569-H581 AromaticContact CE2-ND1 3.82Å; Y569-H581 AromaticContact CE2-NE2 3.53Å; K577-H581 PolarHBondContact O-N 3.31Å; K577-H581 VanDerWaalsContact O-N 3.09Å; K577-H581 PolarHBondContact O-ND1 2.92Å; A578-H581 PolarHBondContact O-N 3Å; A578-H581 VanDerWaalsContact O-N 3.12Å; H581-L584 PolarHBondContact O-N 3.14Å; H581-A585 WeakPolarHBondContact O-CB 3.39Å; H581-A585 PolarHBondContact O-N 3.14Å |
| 582 | L | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 171.7 | -74.5 | 169.5 | 0 | 0 | 0 | 112.5 | E563 A566 A578 A579 F580 L584 A585 G586 A601 R604 A605 M608 | E563-L582 HydrophobicContact CG-CD2 4.07Å; A566-L582 HydrophobicContact CB-CD1 4.48Å; A566-L582 HydrophobicContact CB-CD2 3.96Å; A566-L582 HydrophobicContact CB-CG 3.64Å; A578-L582 PolarHBondContact O-N 3.5Å; A579-L582 PolarHBondContact O-N 2.76Å; F580-L582 VanDerWaalsContact C-N 3.34Å; L582-L584 VanDerWaalsContact C-N 3.35Å; L582-A585 PolarHBondContact O-N 3.17Å; L582-G586 PolarHBondContact O-N 3.14Å; L582-A601 HydrophobicContact CD2-CB 4.44Å; L582-R604 HydrophobicContact CD1-CB 3.7Å; L582-A605 HydrophobicContact CB-CB 3.88Å; L582-A605 HydrophobicContact CD1-CB 4.47Å; L582-M608 HydrophobicContact CD1-CE 3.83Å; L582-M608 HydrophobicContact CD1-SD 4.47Å |
| 583 | I | 95 | Very high | 91.8 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 174.2 | -68.6 | 164.9 | 0 | 0 | 0 | 110.5 | P308 A579 F580 G586 N587 Y602 A605 Y609 I621 | P308-I583 HydrophobicContact CB-CG2 4.22Å; A579-I583 WeakPolarHBondContact O-CG1 3.22Å; A579-I583 PolarHBondContact O-N 3.48Å; F580-I583 PolarHBondContact O-N 3.29Å; I583-G586 PolarHBondContact O-N 2.7Å; I583-N587 PolarHBondContact O-N 3.26Å; I583-Y602 HydrophobicContact CB-CE1 4.38Å; I583-Y602 HydrophobicContact CG1-CD1 4.43Å; I583-Y602 HydrophobicContact CG1-CE1 4.35Å; I583-Y602 HydrophobicContact CG2-CE1 3.93Å; I583-A605 HydrophobicContact CD1-CB 4.48Å; I583-A605 HydrophobicContact CG1-CB 3.84Å; I583-Y609 HydrophobicContact CD1-CE2 4Å; I583-I621 HydrophobicContact CD1-CD1 4Å; I583-I621 HydrophobicContact CD1-CG1 4.14Å; I583-I621 HydrophobicContact CG1-CD1 4.38Å; I583-I621 HydrophobicContact CG1-CG1 4.29Å |
| 584 | L | 94.5 | Very high | 91.6 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 14% | 0.141 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 175.8 | -75.4 | 167.2 | 0 | 0 | 0 | 111.9 | P308 L562 F580 H581 L582 N587 R588 | P308-L584 HydrophobicContact CB-CD2 3.55Å; P308-L584 HydrophobicContact CB-CG 4.06Å; P308-L584 HydrophobicContact CG-CD2 3.69Å; P308-L584 HydrophobicContact CG-CG 4.07Å; L562-L584 HydrophobicContact CD1-CB 3.82Å; L562-L584 HydrophobicContact CD2-CB 4.25Å; L562-L584 HydrophobicContact CD2-CD1 4.35Å; F580-L584 HydrophobicContact CD1-CD1 3.8Å; F580-L584 HydrophobicContact CE1-CD1 3.47Å; F580-L584 VanDerWaalsContact CE1-CD1 3.47Å; F580-L584 HydrophobicContact CE1-CG 4.32Å; F580-L584 HydrophobicContact CZ-CD1 4.14Å; F580-L584 PolarHBondContact O-N 2.98Å; F580-L584 VanDerWaalsContact O-N 3.08Å; H581-L584 PolarHBondContact O-N 3.14Å; L582-L584 VanDerWaalsContact C-N 3.35Å; L584-N587 PolarHBondContact O-N 2.94Å; L584-R588 PolarHBondContact O-N 3.32Å; L584-R588 VanDerWaalsContact O-N 3.08Å |
| 585 | A | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A559 L562 E563 H581 L582 N587 R588 F589 | A559-A585 WeakPolarHBondContact O-CB 3.19Å; L562-A585 HydrophobicContact CB-CB 3.78Å; E563-A585 HydrophobicContact CB-CB 4.11Å; H581-A585 WeakPolarHBondContact O-CB 3.39Å; H581-A585 PolarHBondContact O-N 3.14Å; L582-A585 PolarHBondContact O-N 3.17Å; A585-N587 PolarHBondContact O-N 2.87Å; A585-R588 PolarHBondContact O-N 3.38Å; A585-F589 HydrophobicContact CB-CD2 4.35Å; A585-F589 HydrophobicContact CB-CE2 4.24Å; A585-F589 WeakPolarHBondContact O-CB 3.5Å; A585-F589 WeakPolarHBondContact O-CD2 3.47Å; A585-F589 PolarHBondContact O-N 3.26Å |
| 586 | G | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L582 I583 R588 F589 S590 A598 Y602 | L582-G586 PolarHBondContact O-N 3.14Å; I583-G586 PolarHBondContact O-N 2.7Å; G586-R588 PolarHBondContact O-N 3.46Å; G586-F589 PolarHBondContact O-N 2.83Å; G586-S590 WeakPolarHBondContact O-CB 3.45Å; G586-S590 PolarHBondContact O-N 3.44Å; G586-A598 VanDerWaalsContact O-CB 3.3Å; G586-A598 WeakPolarHBondContact O-CB 3.45Å; G586-Y602 VanDerWaalsContact C-CE2 3.48Å |
| 587 | N | 92.4 | Very high | 91.7 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 11% | 0.112 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 174.7 | -176.2 | 14.8 | 0 | 0 | 0 | 111.1 | I583 L584 A585 S590 K591 Y602 | I583-N587 PolarHBondContact O-N 3.26Å; L584-N587 PolarHBondContact O-N 2.94Å; A585-N587 PolarHBondContact O-N 2.87Å; N587-S590 PolarHBondContact O-N 3.19Å; N587-S590 PolarHBondContact O-OG 2.85Å; N587-K591 PolarHBondContact O-N 3.41Å; N587-K591 WeakPolarHBondContact OD1-CE 3.3Å; N587-Y602 PolarHBondContact N-OH 3.4Å |
| 588 | R | 92.4 | Very high | 91.8 | Very high | 56 Ų | 56 | 32.5 Ų | 32.5 | 21% | 0.211 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 177.3 | -69.8 | -162.9 | 177.9 | -132.3 | 0.6 | 112.7 | I551 D552 A559 L562 L584 A585 G586 S590 K591 | I551-R588 PolarHBondContact O-NH1 3.16Å; D552-R588 IonicContact OD1-CZ 3.72Å; D552-R588 IonicContact OD1-NH1 2.78Å; D552-R588 IonicContact OD1-NH2 3.92Å; D552-R588 PolarHBondContact OD1-NH2 3.19Å; A559-R588 HydrophobicContact CB-CB 3.59Å; L562-R588 HydrophobicContact CD1-CG 4.42Å; L584-R588 PolarHBondContact O-N 3.32Å; L584-R588 VanDerWaalsContact O-N 3.08Å; A585-R588 PolarHBondContact O-N 3.38Å; G586-R588 PolarHBondContact O-N 3.46Å; R588-S590 PolarHBondContact O-N 3Å; R588-K591 PolarHBondContact O-N 3.05Å; R588-K591 VanDerWaalsContact O-N 3.12Å |
| 589 | F | 92.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -30.6 | 174.8 | -78.9 | -51.3 | 0 | 0 | 0 | 112.8 | M99 A559 E563 A585 G586 K591 V592 L594 H597 A598 | M99-F589 HydrophobicContact CE-CE1 3.78Å; M99-F589 HydrophobicContact CE-CZ 4.41Å; A559-F589 HydrophobicContact CB-CD1 3.53Å; A559-F589 HydrophobicContact CB-CD2 4.1Å; A559-F589 HydrophobicContact CB-CE1 3.53Å; A559-F589 HydrophobicContact CB-CE2 4.12Å; A559-F589 HydrophobicContact CB-CG 3.81Å; A559-F589 HydrophobicContact CB-CZ 3.84Å; E563-F589 HydrophobicContact CB-CE2 4.39Å; A585-F589 HydrophobicContact CB-CD2 4.35Å; A585-F589 HydrophobicContact CB-CE2 4.24Å; A585-F589 WeakPolarHBondContact O-CB 3.5Å; A585-F589 WeakPolarHBondContact O-CD2 3.47Å; A585-F589 PolarHBondContact O-N 3.26Å; G586-F589 PolarHBondContact O-N 2.83Å; F589-K591 VanDerWaalsContact C-N 3.3Å; F589-K591 PolarHBondContact O-N 3.4Å; F589-V592 VanDerWaalsContact O-CG2 3.31Å; F589-V592 WeakPolarHBondContact O-CG2 3.43Å; F589-V592 PolarHBondContact O-N 3.26Å; F589-L594 HydrophobicContact CD1-CB 4.13Å; F589-L594 HydrophobicContact CD1-CD1 4.02Å; F589-L594 HydrophobicContact CE1-CD1 4.18Å; F589-H597 HydrophobicContact CB-CB 4.33Å; F589-H597 HydrophobicContact CD1-CB 3.85Å; F589-H597 HydrophobicContact CD2-CB 3.96Å; F589-H597 HydrophobicContact CE1-CB 4.1Å; F589-H597 HydrophobicContact CE2-CB 4.18Å; F589-H597 HydrophobicContact CG-CB 3.8Å; F589-H597 HydrophobicContact CZ-CB 4.25Å; F589-A598 HydrophobicContact CB-CB 3.69Å |
| 590 | S | 90.2 | Very high | 91.8 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -73.1 | -21.4 | 178.2 | 79 | 0 | 0 | 0 | 0 | 114 | G586 N587 R588 | G586-S590 WeakPolarHBondContact O-CB 3.45Å; G586-S590 PolarHBondContact O-N 3.44Å; N587-S590 PolarHBondContact O-N 3.19Å; N587-S590 PolarHBondContact O-OG 2.85Å; R588-S590 PolarHBondContact O-N 3Å |
| 591 | K | 88.2 | Confident | 91.8 | Very high | 148 Ų | 148 | 30 Ų | 30 | 64% | 0.643 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -7.3 | 178.2 | -65.3 | 176.5 | -179.1 | -177.7 | 0 | 113.5 | N587 R588 F589 | N587-K591 PolarHBondContact O-N 3.41Å; N587-K591 WeakPolarHBondContact OD1-CE 3.3Å; R588-K591 PolarHBondContact O-N 3.05Å; R588-K591 VanDerWaalsContact O-N 3.12Å; F589-K591 VanDerWaalsContact C-N 3.3Å; F589-K591 PolarHBondContact O-N 3.4Å |
| 592 | V | 85.4 | Confident | 91.7 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 10% | 0.097 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | 164.2 | 175.3 | -65.2 | 0 | 0 | 0 | 0 | 108.1 | A555 V556 F589 L594 | A555-V592 HydrophobicContact CB-CG1 4.25Å; V556-V592 HydrophobicContact CG2-CB 4.14Å; V556-V592 HydrophobicContact CG2-CG1 3.86Å; V556-V592 HydrophobicContact CG2-CG2 4.13Å; F589-V592 VanDerWaalsContact O-CG2 3.31Å; F589-V592 WeakPolarHBondContact O-CG2 3.43Å; F589-V592 PolarHBondContact O-N 3.26Å; V592-L594 HydrophobicContact CG2-CB 4.06Å; V592-L594 HydrophobicContact CG2-CD1 3.96Å; V592-L594 HydrophobicContact CG2-CG 4.17Å; V592-L594 PolarHBondContact O-N 2.96Å |
| 593 | P | 84.2 | Confident | 91.6 | Very high | 48 Ų | 48 | 30 Ų | 30 | 31% | 0.312 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 54.4 | -176.5 | 32.5 | -38 | 0 | 0 | 0 | 112.8 | W96 R100 | W96-P593 HydrophobicContact CE3-CG 4.16Å; W96-P593 HydrophobicContact CZ3-CG 4.43Å; R100-P593 PolarHBondContact NE-O 3.46Å; R100-P593 VanDerWaalsContact NH2-CB 3.3Å |
| 594 | L | 88.3 | Confident | 91.5 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | trans | -134.4 | 38.4 | -177.7 | -62.8 | 173.7 | 0 | 0 | 0 | 111.8 | M99 R100 V556 F589 V592 R596 H597 A598 | M99-L594 HydrophobicContact CB-CD1 4.3Å; M99-L594 HydrophobicContact CB-CD2 3.92Å; M99-L594 HydrophobicContact CE-CD1 3.69Å; M99-L594 HydrophobicContact SD-CD1 4.2Å; R100-L594 HydrophobicContact CB-CD2 4.04Å; V556-L594 HydrophobicContact CG1-CD1 4.32Å; V556-L594 HydrophobicContact CG2-CD1 4.45Å; F589-L594 HydrophobicContact CD1-CB 4.13Å; F589-L594 HydrophobicContact CD1-CD1 4.02Å; F589-L594 HydrophobicContact CE1-CD1 4.18Å; V592-L594 HydrophobicContact CG2-CB 4.06Å; V592-L594 HydrophobicContact CG2-CD1 3.96Å; V592-L594 HydrophobicContact CG2-CG 4.17Å; V592-L594 PolarHBondContact O-N 2.96Å; L594-R596 VanDerWaalsContact C-N 3.26Å; L594-R596 PolarHBondContact O-N 2.8Å; L594-R596 VanDerWaalsContact O-N 3.12Å; L594-H597 HydrophobicContact CB-CB 4.32Å; L594-H597 WeakPolarHBondContact O-CA 3.14Å; L594-H597 VanDerWaalsContact O-CB 3.31Å; L594-H597 WeakPolarHBondContact O-CB 3.47Å; L594-H597 PolarHBondContact O-N 3.25Å; L594-A598 PolarHBondContact O-N 3.29Å | ||
| 595 | R | 89.5 | Confident | 91.4 | Very high | 82 Ų | 82 | 28.9 Ų | 28.9 | 31% | 0.309 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -54.5 | -33.8 | -175.6 | -61.7 | -175.8 | -173.7 | 97.9 | 1.5 | 114.6 | D324 H597 A598 V599 S631 T632 | D324-R595 IonicContact OD2-NH1 2.74Å; R595-H597 VanDerWaalsContact C-N 3.28Å; R595-H597 PolarHBondContact O-N 3.49Å; R595-A598 WeakPolarHBondContact O-CA 3.33Å; R595-A598 VanDerWaalsContact O-CB 3.29Å; R595-A598 WeakPolarHBondContact O-CB 3.31Å; R595-A598 PolarHBondContact O-N 3.04Å; R595-A598 VanDerWaalsContact O-N 3.11Å; R595-V599 WeakPolarHBondContact O-CG2 3.49Å; R595-V599 PolarHBondContact O-N 3.41Å; R595-S631 WeakPolarHBondContact CD-OG 3.29Å; R595-T632 HydrophobicContact CB-CG2 3.73Å |
| 596 | R | 90.1 | Very high | 91.2 | Very high | 161 Ų | 161 | 28.9 Ų | 28.9 | 61% | 0.608 | 13% | 0.127 | S | C | * | . | H | α-helix | trans | -61.4 | -35.5 | 174.3 | -72.3 | -175.4 | 174 | 161.3 | 2.1 | 112.9 | V104 L594 A598 V599 Y600 | V104-R596 HydrophobicContact CG2-CB 4.3Å; L594-R596 VanDerWaalsContact C-N 3.26Å; L594-R596 PolarHBondContact O-N 2.8Å; L594-R596 VanDerWaalsContact O-N 3.12Å; R596-A598 VanDerWaalsContact C-N 3.35Å; R596-V599 PolarHBondContact O-N 2.94Å; R596-Y600 WeakPolarHBondContact O-CB 3.43Å; R596-Y600 PolarHBondContact O-N 2.76Å |
| 597 | H | 92.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.4 | -35.1 | 175.1 | -59.6 | 75 | 0 | 0 | 0 | 110.9 | M99 W124 F589 L594 R595 Y600 A601 | M99-H597 PolarHBondContact O-CE1 2.74Å; M99-H597 PolarHBondContact O-NE2 3.01Å; W124-H597 AromaticContact CD1-CD2 3.81Å; W124-H597 AromaticContact CD2-CD2 3.64Å; W124-H597 AromaticContact CD2-NE2 3.76Å; W124-H597 AromaticContact CE2-CD2 3.63Å; W124-H597 AromaticContact CG-CD2 3.75Å; W124-H597 AromaticContact CG-NE2 3.72Å; W124-H597 AromaticContact NE1-CD2 3.74Å; F589-H597 HydrophobicContact CB-CB 4.33Å; F589-H597 HydrophobicContact CD1-CB 3.85Å; F589-H597 HydrophobicContact CD2-CB 3.96Å; F589-H597 HydrophobicContact CE1-CB 4.1Å; F589-H597 HydrophobicContact CE2-CB 4.18Å; F589-H597 HydrophobicContact CG-CB 3.8Å; F589-H597 HydrophobicContact CZ-CB 4.25Å; L594-H597 HydrophobicContact CB-CB 4.32Å; L594-H597 WeakPolarHBondContact O-CA 3.14Å; L594-H597 VanDerWaalsContact O-CB 3.31Å; L594-H597 WeakPolarHBondContact O-CB 3.47Å; L594-H597 PolarHBondContact O-N 3.25Å; R595-H597 VanDerWaalsContact C-N 3.28Å; R595-H597 PolarHBondContact O-N 3.49Å; H597-Y600 PolarHBondContact O-N 3.21Å; H597-A601 WeakPolarHBondContact O-CB 3.33Å; H597-A601 PolarHBondContact O-N 3.36Å |
| 598 | A | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -50.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | G586 F589 L594 R595 R596 Y600 A601 Y602 L628 | G586-A598 VanDerWaalsContact O-CB 3.3Å; G586-A598 WeakPolarHBondContact O-CB 3.45Å; F589-A598 HydrophobicContact CB-CB 3.69Å; L594-A598 PolarHBondContact O-N 3.29Å; R595-A598 WeakPolarHBondContact O-CA 3.33Å; R595-A598 VanDerWaalsContact O-CB 3.29Å; R595-A598 WeakPolarHBondContact O-CB 3.31Å; R595-A598 PolarHBondContact O-N 3.04Å; R595-A598 VanDerWaalsContact O-N 3.11Å; R596-A598 VanDerWaalsContact C-N 3.35Å; A598-Y600 VanDerWaalsContact C-N 3.34Å; A598-Y600 PolarHBondContact O-N 3.28Å; A598-A601 PolarHBondContact O-N 3.4Å; A598-Y602 WeakPolarHBondContact O-CD2 3.47Å; A598-Y602 PolarHBondContact O-N 2.83Å; A598-L628 HydrophobicContact CB-CD1 3.94Å; A598-L628 HydrophobicContact CB-CD2 4.25Å |
| 599 | V | 92.9 | Very high | 90.5 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 7% | 0.067 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -52.8 | -52.9 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | R595 R596 A601 Y602 E603 L625 L628 Y629 | R595-V599 WeakPolarHBondContact O-CG2 3.49Å; R595-V599 PolarHBondContact O-N 3.41Å; R596-V599 PolarHBondContact O-N 2.94Å; V599-A601 VanDerWaalsContact C-N 3.32Å; V599-A601 PolarHBondContact O-N 3.25Å; V599-Y602 PolarHBondContact O-N 3.45Å; V599-Y602 VanDerWaalsContact O-N 3.13Å; V599-E603 HydrophobicContact CG1-CG 4.2Å; V599-E603 WeakPolarHBondContact O-CG 3.31Å; V599-E603 PolarHBondContact O-N 3.48Å; V599-L625 HydrophobicContact CB-CD2 4.39Å; V599-L625 HydrophobicContact CG1-CD2 4.03Å; V599-L628 HydrophobicContact CG2-CB 3.72Å; V599-L628 HydrophobicContact CG2-CD1 4.12Å; V599-L628 HydrophobicContact CG2-CG 4.48Å; V599-Y629 HydrophobicContact CG1-CD1 4.5Å; V599-Y629 HydrophobicContact CG1-CE1 3.59Å; V599-Y629 HydrophobicContact CG1-CE2 4.37Å; V599-Y629 VanDerWaalsContact CG1-CZ 3.5Å; V599-Y629 VanDerWaalsContact CG1-OH 3.26Å; V599-Y629 WeakPolarHBondContact CG1-OH 3.47Å; V599-Y629 HydrophobicContact CG2-CD1 4.45Å; V599-Y629 HydrophobicContact CG2-CE1 4.27Å |
| 600 | Y | 92.4 | Very high | 90.1 | Very high | 15 Ų | 15 | 31 Ų | 31 | 6% | 0.059 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.9 | -42.7 | -180 | -176.4 | -107.7 | 0 | 0 | 0 | 113.4 | V104 P105 V107 W124 R596 H597 A598 R604 | V104-Y600 HydrophobicContact CG1-CD2 3.9Å; V104-Y600 HydrophobicContact CG1-CG 3.76Å; P105-Y600 HydrophobicContact CB-CE2 3.94Å; P105-Y600 HydrophobicContact CG-CE2 4Å; P105-Y600 WeakPolarHBondContact O-CD2 3.26Å; P105-Y600 WeakPolarHBondContact O-CE2 3.49Å; V107-Y600 HydrophobicContact CG2-CD2 3.67Å; V107-Y600 HydrophobicContact CG2-CE2 3.6Å; W124-Y600 AromaticContact CH2-CD1 3.52Å; W124-Y600 HydrophobicContact CH2-CD1 3.52Å; W124-Y600 AromaticContact CH2-CE1 3.39Å; W124-Y600 HydrophobicContact CH2-CE1 3.39Å; W124-Y600 HydrophobicContact CH2-CG 4.26Å; W124-Y600 AromaticContact CZ2-CD1 3.59Å; W124-Y600 HydrophobicContact CZ2-CD1 3.59Å; W124-Y600 AromaticContact CZ2-CE1 3.64Å; W124-Y600 HydrophobicContact CZ2-CE1 3.64Å; R596-Y600 WeakPolarHBondContact O-CB 3.43Å; R596-Y600 PolarHBondContact O-N 2.76Å; H597-Y600 PolarHBondContact O-N 3.21Å; A598-Y600 VanDerWaalsContact C-N 3.34Å; A598-Y600 PolarHBondContact O-N 3.28Å; Y600-R604 HydrophobicContact CE1-CG 4.4Å; Y600-R604 HydrophobicContact CE2-CG 4.47Å; Y600-R604 WeakPolarHBondContact O-CG 3.43Å; Y600-R604 PolarHBondContact O-N 3.09Å; Y600-R604 VanDerWaalsContact O-N 3.1Å |
| 601 | A | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L582 H597 A598 V599 R604 A605 | L582-A601 HydrophobicContact CD2-CB 4.44Å; H597-A601 WeakPolarHBondContact O-CB 3.33Å; H597-A601 PolarHBondContact O-N 3.36Å; A598-A601 PolarHBondContact O-N 3.4Å; V599-A601 VanDerWaalsContact C-N 3.32Å; V599-A601 PolarHBondContact O-N 3.25Å; A601-R604 PolarHBondContact O-N 3.47Å; A601-A605 PolarHBondContact O-N 2.93Å |
| 602 | Y | 94.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 177.7 | -83.4 | -71 | 0 | 0 | 0 | 112.7 | I583 G586 N587 A598 V599 R604 A605 L606 I621 T624 L628 | I583-Y602 HydrophobicContact CB-CE1 4.38Å; I583-Y602 HydrophobicContact CG1-CD1 4.43Å; I583-Y602 HydrophobicContact CG1-CE1 4.35Å; I583-Y602 HydrophobicContact CG2-CE1 3.93Å; G586-Y602 VanDerWaalsContact C-CE2 3.48Å; N587-Y602 PolarHBondContact N-OH 3.4Å; A598-Y602 WeakPolarHBondContact O-CD2 3.47Å; A598-Y602 PolarHBondContact O-N 2.83Å; V599-Y602 PolarHBondContact O-N 3.45Å; V599-Y602 VanDerWaalsContact O-N 3.13Å; Y602-R604 PolarHBondContact O-N 3.07Å; Y602-A605 WeakPolarHBondContact O-CB 3.31Å; Y602-A605 PolarHBondContact O-N 3.46Å; Y602-L606 WeakPolarHBondContact O-CB 3.27Å; Y602-L606 PolarHBondContact O-N 3.46Å; Y602-I621 HydrophobicContact CD1-CB 4.49Å; Y602-I621 HydrophobicContact CD1-CG1 4.29Å; Y602-I621 HydrophobicContact CD1-CG2 3.99Å; Y602-T624 HydrophobicContact CD2-CG2 4.16Å; Y602-T624 HydrophobicContact CE1-CG2 4.02Å; Y602-T624 HydrophobicContact CE2-CG2 3.58Å; Y602-L628 HydrophobicContact CD2-CD1 3.67Å; Y602-L628 HydrophobicContact CE2-CD1 3.99Å |
| 603 | E | 92.7 | Very high | 89.2 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 177.1 | -68.7 | -168.5 | 136.5 | 0 | 0 | 112.2 | V107 L109 V599 A605 L606 R607 L625 Y629 | V107-E603 HydrophobicContact CB-CB 3.71Å; V107-E603 WeakPolarHBondContact CB-OE2 3.48Å; V107-E603 HydrophobicContact CG1-CB 4.12Å; V107-E603 HydrophobicContact CG2-CB 3.87Å; L109-E603 HydrophobicContact CD2-CB 4.48Å; V599-E603 HydrophobicContact CG1-CG 4.2Å; V599-E603 WeakPolarHBondContact O-CG 3.31Å; V599-E603 PolarHBondContact O-N 3.48Å; E603-A605 VanDerWaalsContact C-N 3.33Å; E603-A605 PolarHBondContact O-N 3.49Å; E603-L606 WeakPolarHBondContact O-CB 3.38Å; E603-L606 PolarHBondContact O-N 3.12Å; E603-R607 PolarHBondContact O-N 3.27Å; E603-L625 HydrophobicContact CG-CD1 4.14Å; E603-L625 HydrophobicContact CG-CD2 3.98Å; E603-Y629 VanDerWaalsContact CD-OH 3.26Å; E603-Y629 PolarHBondContact OE1-OH 3.2Å |
| 604 | R | 92.4 | Very high | 89.3 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 3% | 0.034 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -42.5 | 173.3 | -74 | 175.2 | 61.3 | -167.5 | 5.3 | 111.7 | V107 F115 T117 E563 L582 Y600 A601 Y602 L606 R607 | V107-R604 HydrophobicContact CG2-CG 3.94Å; F115-R604 HydrophobicContact CE1-CG 4.3Å; T117-R604 HydrophobicContact CG2-CB 4.47Å; T117-R604 HydrophobicContact CG2-CG 4.33Å; T117-R604 VanDerWaalsContact CG2-NH2 3.32Å; E563-R604 IonicContact OE1-NH1 3.53Å; E563-R604 PolarHBondContact OE1-NH1 3.49Å; L582-R604 HydrophobicContact CD1-CB 3.7Å; Y600-R604 HydrophobicContact CE1-CG 4.4Å; Y600-R604 HydrophobicContact CE2-CG 4.47Å; Y600-R604 WeakPolarHBondContact O-CG 3.43Å; Y600-R604 PolarHBondContact O-N 3.09Å; Y600-R604 VanDerWaalsContact O-N 3.1Å; A601-R604 PolarHBondContact O-N 3.47Å; Y602-R604 PolarHBondContact O-N 3.07Å; R604-L606 VanDerWaalsContact C-N 3.34Å; R604-R607 PolarHBondContact O-N 3.27Å |
| 605 | A | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A579 L582 I583 A601 Y602 E603 R607 M608 Y609 I621 | A579-A605 HydrophobicContact CB-CB 4.42Å; L582-A605 HydrophobicContact CB-CB 3.88Å; L582-A605 HydrophobicContact CD1-CB 4.47Å; I583-A605 HydrophobicContact CD1-CB 4.48Å; I583-A605 HydrophobicContact CG1-CB 3.84Å; A601-A605 PolarHBondContact O-N 2.93Å; Y602-A605 WeakPolarHBondContact O-CB 3.31Å; Y602-A605 PolarHBondContact O-N 3.46Å; E603-A605 VanDerWaalsContact C-N 3.33Å; E603-A605 PolarHBondContact O-N 3.49Å; A605-R607 VanDerWaalsContact C-N 3.31Å; A605-R607 PolarHBondContact O-N 2.8Å; A605-M608 WeakPolarHBondContact O-CB 3.26Å; A605-M608 PolarHBondContact O-N 3.08Å; A605-M608 VanDerWaalsContact O-N 3.13Å; A605-Y609 VanDerWaalsContact O-CD2 3.29Å; A605-Y609 WeakPolarHBondContact O-CD2 3.32Å; A605-Y609 PolarHBondContact O-N 2.68Å; A605-I621 HydrophobicContact CB-CD1 4.35Å |
| 606 | L | 91 | Very high | 89 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 179.1 | -167.2 | 51.6 | 0 | 0 | 0 | 111.8 | L109 Y602 E603 R604 M608 Y609 I610 E618 I621 D622 L625 R644 | L109-L606 HydrophobicContact CD2-CB 4.44Å; L109-L606 HydrophobicContact CD2-CD2 3.87Å; L109-L606 HydrophobicContact CD2-CG 4.32Å; Y602-L606 WeakPolarHBondContact O-CB 3.27Å; Y602-L606 PolarHBondContact O-N 3.46Å; E603-L606 WeakPolarHBondContact O-CB 3.38Å; E603-L606 PolarHBondContact O-N 3.12Å; R604-L606 VanDerWaalsContact C-N 3.34Å; L606-M608 PolarHBondContact O-N 2.95Å; L606-Y609 PolarHBondContact O-N 3.32Å; L606-I610 HydrophobicContact CD1-CG1 4.44Å; L606-I610 HydrophobicContact CG-CD1 4.11Å; L606-I610 HydrophobicContact CG-CG1 4.21Å; L606-I610 WeakPolarHBondContact O-CG1 3.37Å; L606-I610 PolarHBondContact O-N 3.44Å; L606-E618 HydrophobicContact CD1-CB 4.45Å; L606-E618 HydrophobicContact CD1-CG 4.35Å; L606-I621 HydrophobicContact CB-CG2 3.88Å; L606-I621 HydrophobicContact CD1-CB 4.1Å; L606-I621 HydrophobicContact CD1-CD1 4.22Å; L606-I621 HydrophobicContact CD1-CG2 3.94Å; L606-I621 HydrophobicContact CD2-CG2 4.1Å; L606-I621 HydrophobicContact CG-CG2 4.2Å; L606-D622 WeakPolarHBondContact CD2-OD1 3.31Å; L606-L625 HydrophobicContact CD2-CD1 3.71Å; L606-R644 VanDerWaalsContact CD1-NH2 3.29Å |
| 607 | R | 88 | Confident | 88.8 | Confident | 46 Ų | 46 | 41.2 Ų | 41.2 | 17% | 0.174 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.3 | -29.5 | 178.2 | -161.5 | 67.7 | -179.1 | 87.2 | 2.3 | 113 | P108 D110 S111 E113 F115 E603 R604 A605 | P108-R607 WeakPolarHBondContact O-CD 3.11Å; P108-R607 PolarHBondContact O-NE 3.18Å; D110-R607 PolarHBondContact O-NH2 3.24Å; S111-R607 VanDerWaalsContact C-NH2 3.32Å; S111-R607 VanDerWaalsContact CA-NH2 3.32Å; S111-R607 PolarHBondContact O-NH2 3.11Å; E113-R607 PolarHBondContact O-NH2 3.33Å; F115-R607 HydrophobicContact CD1-CG 4.23Å; E603-R607 PolarHBondContact O-N 3.27Å; R604-R607 PolarHBondContact O-N 3.27Å; A605-R607 VanDerWaalsContact C-N 3.31Å; A605-R607 PolarHBondContact O-N 2.8Å |
| 608 | M | 88.1 | Confident | 88.8 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -76.8 | -24.2 | 175.3 | -59.6 | -175.7 | -170.2 | 0 | 0 | 113 | T117 Y570 A578 A579 L582 A605 L606 | T117-M608 HydrophobicContact CG2-CE 3.81Å; Y570-M608 HydrophobicContact CD2-CE 3.46Å; Y570-M608 VanDerWaalsContact CD2-CE 3.46Å; Y570-M608 HydrophobicContact CD2-SD 4.36Å; Y570-M608 HydrophobicContact CE2-CE 3.89Å; Y570-M608 HydrophobicContact CG-CE 4.45Å; A578-M608 HydrophobicContact CB-CE 4.32Å; A578-M608 HydrophobicContact CB-SD 4.06Å; A579-M608 HydrophobicContact CB-CB 3.96Å; A579-M608 HydrophobicContact CB-CG 4.42Å; A579-M608 HydrophobicContact CB-SD 3.79Å; L582-M608 HydrophobicContact CD1-CE 3.83Å; L582-M608 HydrophobicContact CD1-SD 4.47Å; A605-M608 WeakPolarHBondContact O-CB 3.26Å; A605-M608 PolarHBondContact O-N 3.08Å; A605-M608 VanDerWaalsContact O-N 3.13Å; L606-M608 PolarHBondContact O-N 2.95Å |
| 609 | Y | 87.2 | Confident | 88.6 | Confident | 17 Ų | 17 | 41.9 Ų | 41.9 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -95.6 | -29.7 | -180 | -73.9 | -62.8 | 0 | 0 | 0 | 114.4 | A579 I583 A605 L606 G611 K612 W614 A617 I621 | A579-Y609 HydrophobicContact CB-CD2 4.17Å; A579-Y609 HydrophobicContact CB-CE2 3.49Å; A579-Y609 VanDerWaalsContact CB-CE2 3.49Å; I583-Y609 HydrophobicContact CD1-CE2 4Å; A605-Y609 VanDerWaalsContact O-CD2 3.29Å; A605-Y609 WeakPolarHBondContact O-CD2 3.32Å; A605-Y609 PolarHBondContact O-N 2.68Å; L606-Y609 PolarHBondContact O-N 3.32Å; Y609-G611 PolarHBondContact O-N 2.88Å; Y609-K612 VanDerWaalsContact O-CB 3.28Å; Y609-K612 WeakPolarHBondContact O-CB 3.45Å; Y609-K612 PolarHBondContact O-N 2.84Å; Y609-W614 HydrophobicContact CD1-CB 3.62Å; Y609-W614 HydrophobicContact CD1-CD2 4.47Å; Y609-W614 AromaticContact CD1-CG 3.75Å; Y609-W614 HydrophobicContact CD1-CG 3.75Å; Y609-W614 HydrophobicContact CE1-CB 4.15Å; Y609-W614 HydrophobicContact CE1-CD2 4.26Å; Y609-W614 HydrophobicContact CE1-CG 4.01Å; Y609-W614 HydrophobicContact CG-CB 4.43Å; Y609-A617 HydrophobicContact CD1-CB 4.46Å; Y609-A617 HydrophobicContact CD2-CB 4.46Å; Y609-A617 HydrophobicContact CE1-CB 4.39Å; Y609-A617 HydrophobicContact CE2-CB 4.38Å; Y609-A617 HydrophobicContact CG-CB 4.5Å; Y609-I621 HydrophobicContact CD2-CD1 3.66Å; Y609-I621 HydrophobicContact CE2-CD1 4.13Å |
| 610 | I | 84.7 | Confident | 88.4 | Confident | 31 Ų | 31 | 42.8 Ų | 42.8 | 16% | 0.159 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 125.8 | -179.2 | -77.6 | 166.5 | 0 | 0 | 0 | 110.8 | L109 L606 K612 | L109-I610 HydrophobicContact CD2-CD1 4.38Å; L109-I610 WeakPolarHBondContact O-CD1 3.48Å; L606-I610 HydrophobicContact CD1-CG1 4.44Å; L606-I610 HydrophobicContact CG-CD1 4.11Å; L606-I610 HydrophobicContact CG-CG1 4.21Å; L606-I610 WeakPolarHBondContact O-CG1 3.37Å; L606-I610 PolarHBondContact O-N 3.44Å; I610-K612 PolarHBondContact O-N 2.92Å |
| 611 | G | 79.7 | Confident | 88.4 | Confident | 71 Ų | 71 | 42.1 Ų | 42.1 | 73% | 0.732 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 6.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y609 | Y609-G611 PolarHBondContact O-N 2.88Š|
| 612 | K | 83.5 | Confident | 88.4 | Confident | 141 Ų | 141 | 42.2 Ų | 42.2 | 61% | 0.613 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 4.5 | 178.3 | -55.7 | -61.2 | -175.8 | -177.9 | 0 | 113.9 | Y609 I610 W614 | Y609-K612 VanDerWaalsContact O-CB 3.28Å; Y609-K612 WeakPolarHBondContact O-CB 3.45Å; Y609-K612 PolarHBondContact O-N 2.84Å; I610-K612 PolarHBondContact O-N 2.92Å; K612-W614 VanDerWaalsContact C-N 3.31Å; K612-W614 PolarHBondContact O-N 2.96Å |
| 613 | Q | 82.7 | Confident | 88.3 | Confident | 170 Ų | 170 | 42.5 Ų | 42.5 | 79% | 0.794 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 19.5 | -179.9 | -53.9 | -159.4 | -6.5 | 0 | 0 | 116.1 | K615 | Q613-K615 PolarHBondContact O-N 2.84Š|
| 614 | W | 85.4 | Confident | 88.3 | Confident | 108 Ų | 108 | 42 Ų | 42 | 41% | 0.409 | 22% | 0.218 | S | C | . | . | trans | -84.1 | 57.6 | 174.3 | -70 | 79.3 | 0 | 0 | 0 | 111 | Y609 K612 A616 A617 E618 | Y609-W614 HydrophobicContact CD1-CB 3.62Å; Y609-W614 HydrophobicContact CD1-CD2 4.47Å; Y609-W614 AromaticContact CD1-CG 3.75Å; Y609-W614 HydrophobicContact CD1-CG 3.75Å; Y609-W614 HydrophobicContact CE1-CB 4.15Å; Y609-W614 HydrophobicContact CE1-CD2 4.26Å; Y609-W614 HydrophobicContact CE1-CG 4.01Å; Y609-W614 HydrophobicContact CG-CB 4.43Å; K612-W614 VanDerWaalsContact C-N 3.31Å; K612-W614 PolarHBondContact O-N 2.96Å; W614-A616 VanDerWaalsContact C-N 3.27Å; W614-A616 PolarHBondContact O-N 3.21Å; W614-A616 VanDerWaalsContact O-N 3.14Å; W614-A617 HydrophobicContact CB-CB 4.2Å; W614-A617 PolarHBondContact O-N 3.29Å; W614-E618 PolarHBondContact O-N 3.33Å | ||
| 615 | K | 85.9 | Confident | 88.4 | Confident | 123 Ų | 123 | 41.5 Ų | 41.5 | 54% | 0.535 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.6 | -34.7 | -167.5 | -63.3 | -172.8 | 178.7 | -177.4 | 0 | 114.2 | Q613 A619 N652 | Q613-K615 PolarHBondContact O-N 2.84Å; K615-A619 VanDerWaalsContact O-CB 3.22Å; K615-A619 WeakPolarHBondContact O-CB 3.44Å; K615-A619 PolarHBondContact O-N 3.35Å; K615-N652 WeakPolarHBondContact CB-ND2 3.49Å; K615-N652 PolarHBondContact O-ND2 3.3Å |
| 616 | A | 85.6 | Confident | 88.4 | Confident | 62 Ų | 62 | 41.5 Ų | 41.5 | 51% | 0.512 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.2 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W614 H620 N652 | W614-A616 VanDerWaalsContact C-N 3.27Å; W614-A616 PolarHBondContact O-N 3.21Å; W614-A616 VanDerWaalsContact O-N 3.14Å; A616-H620 WeakPolarHBondContact O-CB 3.39Å; A616-H620 PolarHBondContact O-N 3.31Å; A616-N652 HydrophobicContact CB-CB 4.4Å |
| 617 | A | 87 | Confident | 88.4 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 11% | 0.107 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.7 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y609 W614 A619 H620 I621 | Y609-A617 HydrophobicContact CD1-CB 4.46Å; Y609-A617 HydrophobicContact CD2-CB 4.46Å; Y609-A617 HydrophobicContact CE1-CB 4.39Å; Y609-A617 HydrophobicContact CE2-CB 4.38Å; Y609-A617 HydrophobicContact CG-CB 4.5Å; W614-A617 HydrophobicContact CB-CB 4.2Å; W614-A617 PolarHBondContact O-N 3.29Å; A617-A619 PolarHBondContact O-N 3.08Å; A617-H620 PolarHBondContact O-N 2.82Å; A617-I621 WeakPolarHBondContact O-CD1 3.49Å; A617-I621 VanDerWaalsContact O-CG1 3.22Å; A617-I621 WeakPolarHBondContact O-CG1 3.45Å; A617-I621 PolarHBondContact O-N 3.01Å |
| 618 | E | 90.9 | Very high | 88.6 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.6 | -46.9 | 174.9 | -68.4 | -175 | -127.9 | 0 | 0 | 111.3 | L606 W614 H620 I621 D622 R644 | L606-E618 HydrophobicContact CD1-CB 4.45Å; L606-E618 HydrophobicContact CD1-CG 4.35Å; W614-E618 PolarHBondContact O-N 3.33Å; E618-H620 PolarHBondContact O-N 2.84Å; E618-I621 PolarHBondContact O-N 2.69Å; E618-D622 WeakPolarHBondContact O-CB 3.16Å; E618-D622 PolarHBondContact O-N 2.93Å; E618-R644 IonicContact OE2-NH2 3.38Å; E618-R644 PolarHBondContact OE2-NH2 3.42Å |
| 619 | A | 89.7 | Confident | 88.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K615 A617 L623 L645 G649 N652 V653 | K615-A619 VanDerWaalsContact O-CB 3.22Å; K615-A619 WeakPolarHBondContact O-CB 3.44Å; K615-A619 PolarHBondContact O-N 3.35Å; A617-A619 PolarHBondContact O-N 3.08Å; A619-L623 VanDerWaalsContact O-CB 3.26Å; A619-L623 WeakPolarHBondContact O-CB 3.47Å; A619-L623 PolarHBondContact O-N 3.31Å; A619-L645 HydrophobicContact CB-CD1 3.88Å; A619-L645 VanDerWaalsContact O-CD1 3.3Å; A619-L645 WeakPolarHBondContact O-CD1 3.24Å; A619-G649 WeakPolarHBondContact CB-O 3.4Å; A619-N652 HydrophobicContact CB-CB 3.98Å; A619-V653 HydrophobicContact CB-CG2 4.15Å |
| 620 | H | 89.4 | Confident | 88.9 | Confident | 31 Ų | 31 | 42.2 Ų | 42.2 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 175.1 | 174.5 | 80.9 | 0 | 0 | 0 | 111.6 | L309 A616 A617 E618 L623 T624 | L309-H620 HydrophobicContact CD2-CB 4.16Å; L309-H620 WeakPolarHBondContact CD2-CD2 3.49Å; A616-H620 WeakPolarHBondContact O-CB 3.39Å; A616-H620 PolarHBondContact O-N 3.31Å; A617-H620 PolarHBondContact O-N 2.82Å; E618-H620 PolarHBondContact O-N 2.84Å; H620-L623 PolarHBondContact O-N 2.94Å; H620-T624 PolarHBondContact O-N 3.05Å; H620-T624 PolarHBondContact O-OG1 3.41Å; H620-T624 VanDerWaalsContact O-OG1 3.11Å |
| 621 | I | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 179.6 | -63.2 | 162.9 | 0 | 0 | 0 | 110.9 | I583 Y602 A605 L606 Y609 A617 E618 L623 T624 L625 | I583-I621 HydrophobicContact CD1-CD1 4Å; I583-I621 HydrophobicContact CD1-CG1 4.14Å; I583-I621 HydrophobicContact CG1-CD1 4.38Å; I583-I621 HydrophobicContact CG1-CG1 4.29Å; Y602-I621 HydrophobicContact CD1-CB 4.49Å; Y602-I621 HydrophobicContact CD1-CG1 4.29Å; Y602-I621 HydrophobicContact CD1-CG2 3.99Å; A605-I621 HydrophobicContact CB-CD1 4.35Å; L606-I621 HydrophobicContact CB-CG2 3.88Å; L606-I621 HydrophobicContact CD1-CB 4.1Å; L606-I621 HydrophobicContact CD1-CD1 4.22Å; L606-I621 HydrophobicContact CD1-CG2 3.94Å; L606-I621 HydrophobicContact CD2-CG2 4.1Å; L606-I621 HydrophobicContact CG-CG2 4.2Å; Y609-I621 HydrophobicContact CD2-CD1 3.66Å; Y609-I621 HydrophobicContact CE2-CD1 4.13Å; A617-I621 WeakPolarHBondContact O-CD1 3.49Å; A617-I621 VanDerWaalsContact O-CG1 3.22Å; A617-I621 WeakPolarHBondContact O-CG1 3.45Å; A617-I621 PolarHBondContact O-N 3.01Å; E618-I621 PolarHBondContact O-N 2.69Å; I621-L623 VanDerWaalsContact C-N 3.33Å; I621-L623 PolarHBondContact O-N 3.39Å; I621-T624 PolarHBondContact O-N 2.85Å; I621-L625 HydrophobicContact CG2-CD1 3.76Å; I621-L625 HydrophobicContact CG2-CG 4.19Å; I621-L625 WeakPolarHBondContact O-CB 3.43Å; I621-L625 WeakPolarHBondContact O-CG 3.32Å; I621-L625 PolarHBondContact O-N 3.11Å |
| 622 | D | 92.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 178.1 | -73.7 | -32.9 | 0 | 0 | 0 | 111 | L606 E618 G626 T641 R644 L645 | L606-D622 WeakPolarHBondContact CD2-OD1 3.31Å; E618-D622 WeakPolarHBondContact O-CB 3.16Å; E618-D622 PolarHBondContact O-N 2.93Å; D622-G626 PolarHBondContact O-N 2.87Å; D622-T641 HydrophobicContact CB-CG2 4.11Å; D622-T641 WeakPolarHBondContact O-CG2 3.1Å; D622-R644 IonicContact OD1-CZ 2.71Å; D622-R644 IonicContact OD1-NE 2.86Å; D622-R644 IonicContact OD1-NH1 3.84Å; D622-R644 IonicContact OD2-CZ 3.47Å; D622-R644 IonicContact OD2-NE 2.74Å; D622-R644 PolarHBondContact OD2-NE 3.22Å; D622-R644 IonicContact OD2-NH2 2.88Å; D622-L645 HydrophobicContact CB-CB 3.96Å; D622-L645 HydrophobicContact CB-CD1 4.14Å |
| 623 | L | 92.9 | Very high | 89.3 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.2 | -50.3 | 173.7 | 176.1 | 64.9 | 0 | 0 | 0 | 111.5 | A619 H620 I621 G626 Q627 L645 V653 Q657 A661 | A619-L623 VanDerWaalsContact O-CB 3.26Å; A619-L623 WeakPolarHBondContact O-CB 3.47Å; A619-L623 PolarHBondContact O-N 3.31Å; H620-L623 PolarHBondContact O-N 2.94Å; I621-L623 VanDerWaalsContact C-N 3.33Å; I621-L623 PolarHBondContact O-N 3.39Å; L623-G626 PolarHBondContact O-N 2.94Å; L623-Q627 WeakPolarHBondContact O-CG 3.49Å; L623-Q627 PolarHBondContact O-N 2.76Å; L623-Q627 VanDerWaalsContact O-N 3.12Å; L623-L645 HydrophobicContact CB-CD2 4.05Å; L623-L645 HydrophobicContact CD1-CD2 4.11Å; L623-V653 HydrophobicContact CD2-CG1 3.94Å; L623-Q657 HydrophobicContact CD2-CB 4.28Å; L623-A661 HydrophobicContact CD1-CB 3.57Å |
| 624 | T | 93.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.1 | -40.4 | -179.3 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | F314 Y602 H620 I621 Q627 L628 | F314-T624 HydrophobicContact CE2-CG2 4.26Å; F314-T624 HydrophobicContact CZ-CG2 3.91Å; Y602-T624 HydrophobicContact CD2-CG2 4.16Å; Y602-T624 HydrophobicContact CE1-CG2 4.02Å; Y602-T624 HydrophobicContact CE2-CG2 3.58Å; H620-T624 PolarHBondContact O-N 3.05Å; H620-T624 PolarHBondContact O-OG1 3.41Å; H620-T624 VanDerWaalsContact O-OG1 3.11Å; I621-T624 PolarHBondContact O-N 2.85Å; T624-Q627 PolarHBondContact O-N 3.5Å; T624-L628 HydrophobicContact CG2-CD1 4.08Å; T624-L628 HydrophobicContact CG2-CG 4.38Å; T624-L628 WeakPolarHBondContact O-CB 3.3Å; T624-L628 VanDerWaalsContact O-CG 3.31Å; T624-L628 WeakPolarHBondContact O-CG 3.46Å; T624-L628 PolarHBondContact O-N 3.33Å |
| 625 | L | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 174.3 | -81.4 | 173.4 | 0 | 0 | 0 | 111.5 | V599 E603 L606 I621 Q627 L628 Y629 T641 | V599-L625 HydrophobicContact CB-CD2 4.39Å; V599-L625 HydrophobicContact CG1-CD2 4.03Å; E603-L625 HydrophobicContact CG-CD1 4.14Å; E603-L625 HydrophobicContact CG-CD2 3.98Å; L606-L625 HydrophobicContact CD2-CD1 3.71Å; I621-L625 HydrophobicContact CG2-CD1 3.76Å; I621-L625 HydrophobicContact CG2-CG 4.19Å; I621-L625 WeakPolarHBondContact O-CB 3.43Å; I621-L625 WeakPolarHBondContact O-CG 3.32Å; I621-L625 PolarHBondContact O-N 3.11Å; L625-Q627 VanDerWaalsContact C-N 3.31Å; L625-Q627 PolarHBondContact O-N 3.09Å; L625-L628 PolarHBondContact O-N 2.81Å; L625-Y629 HydrophobicContact CB-CD2 4.35Å; L625-Y629 HydrophobicContact CB-CE2 4.34Å; L625-Y629 HydrophobicContact CD2-CE2 4.24Å; L625-Y629 WeakPolarHBondContact O-CB 3.49Å; L625-Y629 WeakPolarHBondContact O-CD2 3.38Å; L625-Y629 PolarHBondContact O-N 3.14Å; L625-T641 HydrophobicContact CB-CG2 3.61Å |
| 626 | G | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.2 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D622 L623 Y629 H630 | D622-G626 PolarHBondContact O-N 2.87Å; L623-G626 PolarHBondContact O-N 2.94Å; G626-Y629 PolarHBondContact O-N 2.77Å; G626-H630 WeakPolarHBondContact O-CB 3.37Å; G626-H630 PolarHBondContact O-N 2.85Å |
| 627 | Q | 91.7 | Very high | 90 | Very high | 29 Ų | 29 | 30.4 Ų | 30.4 | 14% | 0.136 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | 176 | -72.9 | 171.6 | -27.6 | 0 | 0 | 112.7 | F314 L623 T624 L625 H630 S631 E664 | F314-Q627 HydrophobicContact CD2-CB 4.04Å; F314-Q627 HydrophobicContact CD2-CG 4.44Å; F314-Q627 HydrophobicContact CE2-CB 4.12Å; L623-Q627 WeakPolarHBondContact O-CG 3.49Å; L623-Q627 PolarHBondContact O-N 2.76Å; L623-Q627 VanDerWaalsContact O-N 3.12Å; T624-Q627 PolarHBondContact O-N 3.5Å; L625-Q627 VanDerWaalsContact C-N 3.31Å; L625-Q627 PolarHBondContact O-N 3.09Å; Q627-H630 WeakPolarHBondContact O-CB 3.48Å; Q627-H630 PolarHBondContact O-N 2.91Å; Q627-S631 PolarHBondContact O-N 3.1Å; Q627-E664 VanDerWaalsContact CG-OE2 3.29Å; Q627-E664 WeakPolarHBondContact CG-OE2 3.28Å |
| 628 | L | 92 | Very high | 90.2 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.1 | -73.8 | 171.2 | 0 | 0 | 0 | 111.3 | F314 A598 V599 Y602 T624 L625 H630 S631 T632 | F314-L628 HydrophobicContact CE1-CD2 4.35Å; A598-L628 HydrophobicContact CB-CD1 3.94Å; A598-L628 HydrophobicContact CB-CD2 4.25Å; V599-L628 HydrophobicContact CG2-CB 3.72Å; V599-L628 HydrophobicContact CG2-CD1 4.12Å; V599-L628 HydrophobicContact CG2-CG 4.48Å; Y602-L628 HydrophobicContact CD2-CD1 3.67Å; Y602-L628 HydrophobicContact CE2-CD1 3.99Å; T624-L628 HydrophobicContact CG2-CD1 4.08Å; T624-L628 HydrophobicContact CG2-CG 4.38Å; T624-L628 WeakPolarHBondContact O-CB 3.3Å; T624-L628 VanDerWaalsContact O-CG 3.31Å; T624-L628 WeakPolarHBondContact O-CG 3.46Å; T624-L628 PolarHBondContact O-N 3.33Å; L625-L628 PolarHBondContact O-N 2.81Å; L628-H630 VanDerWaalsContact C-N 3.33Å; L628-H630 PolarHBondContact O-N 3.06Å; L628-S631 PolarHBondContact O-N 3.29Å; L628-S631 PolarHBondContact O-OG 3.32Å; L628-T632 WeakPolarHBondContact O-CB 3.39Å; L628-T632 WeakPolarHBondContact O-CG2 3.17Å; L628-T632 PolarHBondContact O-N 3.38Å; L628-T632 PolarHBondContact O-OG1 3.14Å |
| 629 | Y | 92.4 | Very high | 90.3 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.1 | -34.9 | 175.9 | -76.1 | -47.8 | 0 | 0 | 0 | 112.9 | V599 E603 L625 G626 T632 K633 E634 A637 G638 | V599-Y629 HydrophobicContact CG1-CD1 4.5Å; V599-Y629 HydrophobicContact CG1-CE1 3.59Å; V599-Y629 HydrophobicContact CG1-CE2 4.37Å; V599-Y629 VanDerWaalsContact CG1-CZ 3.5Å; V599-Y629 VanDerWaalsContact CG1-OH 3.26Å; V599-Y629 WeakPolarHBondContact CG1-OH 3.47Å; V599-Y629 HydrophobicContact CG2-CD1 4.45Å; V599-Y629 HydrophobicContact CG2-CE1 4.27Å; E603-Y629 VanDerWaalsContact CD-OH 3.26Å; E603-Y629 PolarHBondContact OE1-OH 3.2Å; L625-Y629 HydrophobicContact CB-CD2 4.35Å; L625-Y629 HydrophobicContact CB-CE2 4.34Å; L625-Y629 HydrophobicContact CD2-CE2 4.24Å; L625-Y629 WeakPolarHBondContact O-CB 3.49Å; L625-Y629 WeakPolarHBondContact O-CD2 3.38Å; L625-Y629 PolarHBondContact O-N 3.14Å; G626-Y629 PolarHBondContact O-N 2.77Å; Y629-T632 WeakPolarHBondContact CA-OG1 3.34Å; Y629-T632 PolarHBondContact O-OG1 2.85Å; Y629-K633 PolarHBondContact O-N 3.24Å; Y629-E634 HydrophobicContact CD1-CB 3.73Å; Y629-E634 HydrophobicContact CD1-CG 4.41Å; Y629-E634 HydrophobicContact CE1-CB 4.36Å; Y629-E634 WeakPolarHBondContact CE1-OE2 3.46Å; Y629-E634 PolarHBondContact O-N 2.84Å; Y629-A637 HydrophobicContact CD1-CB 3.84Å; Y629-A637 HydrophobicContact CD2-CB 4.01Å; Y629-A637 HydrophobicContact CE1-CB 3.7Å; Y629-A637 HydrophobicContact CE2-CB 3.89Å; Y629-A637 HydrophobicContact CG-CB 3.98Å; Y629-G638 VanDerWaalsContact CB-CA 3.45Å |
| 630 | H | 88.9 | Confident | 90.3 | Very high | 61 Ų | 61 | 37 Ų | 37 | 28% | 0.282 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 170.3 | -172.1 | 68.4 | 0 | 0 | 0 | 111.4 | G626 Q627 L628 T632 K633 L668 | G626-H630 WeakPolarHBondContact O-CB 3.37Å; G626-H630 PolarHBondContact O-N 2.85Å; Q627-H630 WeakPolarHBondContact O-CB 3.48Å; Q627-H630 PolarHBondContact O-N 2.91Å; L628-H630 VanDerWaalsContact C-N 3.33Å; L628-H630 PolarHBondContact O-N 3.06Å; H630-T632 VanDerWaalsContact C-N 3.33Å; H630-T632 PolarHBondContact O-N 3.44Å; H630-K633 PolarHBondContact O-N 2.81Å; H630-L668 HydrophobicContact CB-CD1 4.09Å; H630-L668 HydrophobicContact CB-CD2 4.4Å; H630-L668 HydrophobicContact CB-CG 4.47Å; H630-L668 WeakPolarHBondContact ND1-CG 3.28Å |
| 631 | S | 86.9 | Confident | 90.4 | Very high | 55 Ų | 55 | 36 Ų | 36 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.2 | -31.4 | -179.3 | 74.8 | 0 | 0 | 0 | 0 | 114.1 | R595 Q627 L628 K633 | R595-S631 WeakPolarHBondContact CD-OG 3.29Å; Q627-S631 PolarHBondContact O-N 3.1Å; L628-S631 PolarHBondContact O-N 3.29Å; L628-S631 PolarHBondContact O-OG 3.32Å; S631-K633 VanDerWaalsContact C-N 3.35Å |
| 632 | T | 85.5 | Confident | 90.5 | Very high | 37 Ų | 37 | 36 Ų | 36 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 0.8 | -179.8 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | R595 L628 Y629 H630 E634 | R595-T632 HydrophobicContact CB-CG2 3.73Å; L628-T632 WeakPolarHBondContact O-CB 3.39Å; L628-T632 WeakPolarHBondContact O-CG2 3.17Å; L628-T632 PolarHBondContact O-N 3.38Å; L628-T632 PolarHBondContact O-OG1 3.14Å; Y629-T632 WeakPolarHBondContact CA-OG1 3.34Å; Y629-T632 PolarHBondContact O-OG1 2.85Å; H630-T632 VanDerWaalsContact C-N 3.33Å; H630-T632 PolarHBondContact O-N 3.44Å; T632-E634 VanDerWaalsContact C-N 3.25Å; T632-E634 PolarHBondContact O-N 3.48Å |
| 633 | K | 85.2 | Confident | 90.4 | Very high | 166 Ų | 166 | 37.7 Ų | 37.7 | 72% | 0.722 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 28.1 | -178.8 | -53.8 | 179.1 | -179.7 | 176.3 | 0 | 114 | Y629 H630 S631 H635 | Y629-K633 PolarHBondContact O-N 3.24Å; H630-K633 PolarHBondContact O-N 2.81Å; S631-K633 VanDerWaalsContact C-N 3.35Å; K633-H635 PolarHBondContact O-CD2 3.23Å; K633-H635 PolarHBondContact O-N 2.91Å; K633-H635 PolarHBondContact O-NE2 3.29Å |
| 634 | E | 86.8 | Confident | 90.3 | Very high | 61 Ų | 61 | 39.5 Ų | 39.5 | 29% | 0.285 | 19% | 0.194 | S | C | . | . | trans | -90.2 | 75.1 | 174.9 | -67.6 | -167.7 | -161.7 | 0 | 0 | 110.7 | Y629 T632 S636 A637 G638 | Y629-E634 HydrophobicContact CD1-CB 3.73Å; Y629-E634 HydrophobicContact CD1-CG 4.41Å; Y629-E634 HydrophobicContact CE1-CB 4.36Å; Y629-E634 WeakPolarHBondContact CE1-OE2 3.46Å; Y629-E634 PolarHBondContact O-N 2.84Å; T632-E634 VanDerWaalsContact C-N 3.25Å; T632-E634 PolarHBondContact O-N 3.48Å; E634-S636 PolarHBondContact O-N 3.12Å; E634-A637 HydrophobicContact CB-CB 4.41Å; E634-A637 PolarHBondContact O-N 2.9Å; E634-G638 PolarHBondContact O-N 2.87Å | ||
| 635 | H | 89.1 | Confident | 90.2 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 24% | 0.236 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.1 | -47.4 | -166.1 | -48.8 | 159.5 | 0 | 0 | 0 | 113.4 | K633 A637 G638 V639 L668 L671 | K633-H635 PolarHBondContact O-CD2 3.23Å; K633-H635 PolarHBondContact O-N 2.91Å; K633-H635 PolarHBondContact O-NE2 3.29Å; H635-A637 VanDerWaalsContact C-N 3.34Å; H635-A637 PolarHBondContact O-N 3.25Å; H635-G638 PolarHBondContact O-N 3.38Å; H635-V639 WeakPolarHBondContact O-CG2 3.41Å; H635-V639 PolarHBondContact O-N 3.26Å; H635-L668 HydrophobicContact CB-CD2 4.41Å; H635-L671 PolarHBondContact ND1-O 3.39Å |
| 636 | S | 88 | Confident | 90.1 | Very high | 74 Ų | 74 | 39.5 Ų | 39.5 | 52% | 0.517 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -69.2 | -29.7 | -174.9 | 75.9 | 0 | 0 | 0 | 0 | 114 | E634 R640 | E634-S636 PolarHBondContact O-N 3.12Å; S636-R640 WeakPolarHBondContact O-CG 3.41Å; S636-R640 PolarHBondContact O-N 3.48Å; S636-R640 PolarHBondContact O-NE 3.39Å; S636-R640 PolarHBondContact OG-NH2 2.91Å |
| 637 | A | 88.9 | Confident | 89.8 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 12% | 0.116 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -78.5 | -41.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y629 E634 H635 R640 T641 | Y629-A637 HydrophobicContact CD1-CB 3.84Å; Y629-A637 HydrophobicContact CD2-CB 4.01Å; Y629-A637 HydrophobicContact CE1-CB 3.7Å; Y629-A637 HydrophobicContact CE2-CB 3.89Å; Y629-A637 HydrophobicContact CG-CB 3.98Å; E634-A637 HydrophobicContact CB-CB 4.41Å; E634-A637 PolarHBondContact O-N 2.9Å; H635-A637 VanDerWaalsContact C-N 3.34Å; H635-A637 PolarHBondContact O-N 3.25Å; A637-R640 PolarHBondContact O-N 2.92Å; A637-T641 PolarHBondContact O-N 3.3Å; A637-T641 PolarHBondContact O-OG1 2.89Å |
| 638 | G | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y629 E634 H635 T641 F642 | Y629-G638 VanDerWaalsContact CB-CA 3.45Å; E634-G638 PolarHBondContact O-N 2.87Å; H635-G638 PolarHBondContact O-N 3.38Å; G638-T641 PolarHBondContact O-N 2.96Å; G638-F642 WeakPolarHBondContact O-CD2 3.45Å; G638-F642 PolarHBondContact O-N 3.2Å |
| 639 | V | 91.7 | Very high | 88.5 | Confident | 13 Ų | 13 | 47 Ų | 47 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.8 | -55.2 | 174.4 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | H635 T641 F642 E643 Y665 L668 L669 | H635-V639 WeakPolarHBondContact O-CG2 3.41Å; H635-V639 PolarHBondContact O-N 3.26Å; V639-T641 PolarHBondContact O-N 3.39Å; V639-F642 PolarHBondContact O-N 3.01Å; V639-E643 HydrophobicContact CG1-CG 4.2Å; V639-E643 VanDerWaalsContact O-CG 3.28Å; V639-E643 WeakPolarHBondContact O-CG 3.39Å; V639-E643 PolarHBondContact O-N 2.91Å; V639-Y665 HydrophobicContact CG1-CE2 4.15Å; V639-L668 HydrophobicContact CG2-CB 3.86Å; V639-L669 HydrophobicContact CG1-CD2 3.74Å; V639-L669 HydrophobicContact CG2-CD2 4.02Å; V639-L669 HydrophobicContact CG2-CG 4.23Å |
| 640 | R | 90.9 | Very high | 87.9 | Confident | 160 Ų | 160 | 46.5 Ų | 46.5 | 60% | 0.604 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -57 | -37.6 | -179.5 | -77.9 | -179.2 | -85.5 | 161.2 | -9.3 | 112.9 | S636 A637 R644 | S636-R640 WeakPolarHBondContact O-CG 3.41Å; S636-R640 PolarHBondContact O-N 3.48Å; S636-R640 PolarHBondContact O-NE 3.39Å; S636-R640 PolarHBondContact OG-NH2 2.91Å; A637-R640 PolarHBondContact O-N 2.92Å; R640-R644 WeakPolarHBondContact O-CB 3.43Å; R640-R644 PolarHBondContact O-N 2.87Å; R640-R644 VanDerWaalsContact O-N 3.09Å |
| 641 | T | 91.6 | Very high | 87.6 | Confident | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69 | -46.9 | -179.9 | -50.1 | 0 | 0 | 0 | 0 | 111.3 | D622 L625 A637 G638 V639 R644 L645 | D622-T641 HydrophobicContact CB-CG2 4.11Å; D622-T641 WeakPolarHBondContact O-CG2 3.1Å; L625-T641 HydrophobicContact CB-CG2 3.61Å; A637-T641 PolarHBondContact O-N 3.3Å; A637-T641 PolarHBondContact O-OG1 2.89Å; G638-T641 PolarHBondContact O-N 2.96Å; V639-T641 PolarHBondContact O-N 3.39Å; T641-R644 PolarHBondContact O-N 3.46Å; T641-L645 PolarHBondContact O-N 3.3Å |
| 642 | F | 93.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | 175.9 | -76.9 | -51.7 | 0 | 0 | 0 | 112.6 | G638 V639 R644 L645 F646 A661 E664 Y665 L668 | G638-F642 WeakPolarHBondContact O-CD2 3.45Å; G638-F642 PolarHBondContact O-N 3.2Å; V639-F642 PolarHBondContact O-N 3.01Å; F642-R644 VanDerWaalsContact C-N 3.29Å; F642-R644 PolarHBondContact O-N 3.12Å; F642-L645 HydrophobicContact CD1-CD2 4.2Å; F642-L645 WeakPolarHBondContact O-CB 3.46Å; F642-L645 PolarHBondContact O-N 3.35Å; F642-F646 HydrophobicContact CB-CD2 4.38Å; F642-F646 HydrophobicContact CB-CE2 3.85Å; F642-F646 HydrophobicContact CB-CZ 4.33Å; F642-F646 HydrophobicContact CD1-CZ 4.3Å; F642-F646 WeakPolarHBondContact O-CD2 3.29Å; F642-F646 VanDerWaalsContact O-CG 3.23Å; F642-F646 WeakPolarHBondContact O-CG 3.47Å; F642-F646 PolarHBondContact O-N 3.35Å; F642-A661 HydrophobicContact CD1-CB 4.21Å; F642-A661 HydrophobicContact CE1-CB 3.69Å; F642-A661 HydrophobicContact CZ-CB 4.45Å; F642-E664 HydrophobicContact CE2-CB 4.03Å; F642-E664 HydrophobicContact CZ-CB 4.05Å; F642-Y665 HydrophobicContact CB-CD2 3.64Å; F642-Y665 HydrophobicContact CB-CE2 4.48Å; F642-Y665 HydrophobicContact CB-CG 4.07Å; F642-Y665 HydrophobicContact CD2-CD2 4.46Å; F642-Y665 HydrophobicContact CG-CD2 4.45Å; F642-L668 HydrophobicContact CD2-CD1 3.87Å; F642-L668 HydrophobicContact CE2-CD1 3.68Å |
| 643 | E | 92.2 | Very high | 87.5 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | 174.1 | -70.6 | 179.7 | 157.6 | 0 | 0 | 111.9 | V639 F646 S647 Y665 V685 | V639-E643 HydrophobicContact CG1-CG 4.2Å; V639-E643 VanDerWaalsContact O-CG 3.28Å; V639-E643 WeakPolarHBondContact O-CG 3.39Å; V639-E643 PolarHBondContact O-N 2.91Å; E643-F646 PolarHBondContact O-N 2.89Å; E643-S647 VanDerWaalsContact O-CB 3.27Å; E643-S647 WeakPolarHBondContact O-CB 3.04Å; E643-S647 PolarHBondContact O-N 3.27Å; E643-S647 PolarHBondContact O-OG 3.46Å; E643-Y665 HydrophobicContact CG-CE2 3.72Å; E643-V685 HydrophobicContact CB-CG1 4.42Å; E643-V685 HydrophobicContact CB-CG2 3.9Å; E643-V685 HydrophobicContact CG-CG1 4.19Å; E643-V685 HydrophobicContact CG-CG2 3.64Å |
| 644 | R | 89.8 | Confident | 87.6 | Confident | 46 Ų | 46 | 41.6 Ų | 41.6 | 17% | 0.174 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 174.3 | -176.7 | -174.9 | 160.9 | -169 | -7.6 | 111.5 | L606 E618 D622 R640 T641 F642 F646 S647 L648 | L606-R644 VanDerWaalsContact CD1-NH2 3.29Å; E618-R644 IonicContact OE2-NH2 3.38Å; E618-R644 PolarHBondContact OE2-NH2 3.42Å; D622-R644 IonicContact OD1-CZ 2.71Å; D622-R644 IonicContact OD1-NE 2.86Å; D622-R644 IonicContact OD1-NH1 3.84Å; D622-R644 IonicContact OD2-CZ 3.47Å; D622-R644 IonicContact OD2-NE 2.74Å; D622-R644 PolarHBondContact OD2-NE 3.22Å; D622-R644 IonicContact OD2-NH2 2.88Å; R640-R644 WeakPolarHBondContact O-CB 3.43Å; R640-R644 PolarHBondContact O-N 2.87Å; R640-R644 VanDerWaalsContact O-N 3.09Å; T641-R644 PolarHBondContact O-N 3.46Å; F642-R644 VanDerWaalsContact C-N 3.29Å; F642-R644 PolarHBondContact O-N 3.12Å; R644-F646 VanDerWaalsContact C-N 3.33Å; R644-F646 PolarHBondContact O-N 2.74Å; R644-S647 PolarHBondContact O-N 3.21Å; R644-L648 HydrophobicContact CG-CD1 3.76Å; R644-L648 HydrophobicContact CG-CG 4.49Å; R644-L648 WeakPolarHBondContact O-CB 3.36Å; R644-L648 PolarHBondContact O-N 2.95Å |
| 645 | L | 92.2 | Very high | 87.6 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.9 | -51.5 | 175.7 | 177.6 | 63.1 | 0 | 0 | 0 | 110.7 | A619 D622 L623 T641 F642 S647 L648 G649 A650 V653 | A619-L645 HydrophobicContact CB-CD1 3.88Å; A619-L645 VanDerWaalsContact O-CD1 3.3Å; A619-L645 WeakPolarHBondContact O-CD1 3.24Å; D622-L645 HydrophobicContact CB-CB 3.96Å; D622-L645 HydrophobicContact CB-CD1 4.14Å; L623-L645 HydrophobicContact CB-CD2 4.05Å; L623-L645 HydrophobicContact CD1-CD2 4.11Å; T641-L645 PolarHBondContact O-N 3.3Å; F642-L645 HydrophobicContact CD1-CD2 4.2Å; F642-L645 WeakPolarHBondContact O-CB 3.46Å; F642-L645 PolarHBondContact O-N 3.35Å; L645-S647 VanDerWaalsContact C-N 3.29Å; L645-S647 PolarHBondContact O-N 3.25Å; L645-L648 PolarHBondContact O-N 2.99Å; L645-G649 CarbonylContact O-C 3.59Å; L645-G649 WeakPolarHBondContact O-CA 3.42Å; L645-G649 PolarHBondContact O-N 3.49Å; L645-A650 PolarHBondContact O-N 2.95Å; L645-V653 HydrophobicContact CD1-CG2 3.94Å |
| 646 | F | 91.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.6 | -27.7 | -177.4 | -59.5 | -36.4 | 0 | 0 | 0 | 113.4 | F642 E643 R644 A661 F662 Y665 L686 P768 L769 | F642-F646 HydrophobicContact CB-CD2 4.38Å; F642-F646 HydrophobicContact CB-CE2 3.85Å; F642-F646 HydrophobicContact CB-CZ 4.33Å; F642-F646 HydrophobicContact CD1-CZ 4.3Å; F642-F646 WeakPolarHBondContact O-CD2 3.29Å; F642-F646 VanDerWaalsContact O-CG 3.23Å; F642-F646 WeakPolarHBondContact O-CG 3.47Å; F642-F646 PolarHBondContact O-N 3.35Å; E643-F646 PolarHBondContact O-N 2.89Å; R644-F646 VanDerWaalsContact C-N 3.33Å; R644-F646 PolarHBondContact O-N 2.74Å; F646-A661 HydrophobicContact CE1-CB 4.48Å; F646-A661 HydrophobicContact CZ-CB 4.35Å; F646-F662 HydrophobicContact CE2-CD2 4.18Å; F646-F662 HydrophobicContact CZ-CB 4.19Å; F646-F662 HydrophobicContact CZ-CD2 4.24Å; F646-Y665 HydrophobicContact CD2-CD1 4.36Å; F646-Y665 HydrophobicContact CD2-CG 4.48Å; F646-Y665 AromaticContact CE2-CD1 3.73Å; F646-Y665 HydrophobicContact CE2-CD1 3.73Å; F646-Y665 HydrophobicContact CE2-CD2 4.27Å; F646-Y665 HydrophobicContact CE2-CE1 4.34Å; F646-Y665 AromaticContact CE2-CG 3.67Å; F646-Y665 HydrophobicContact CE2-CG 3.67Å; F646-L686 HydrophobicContact CB-CD1 4.01Å; F646-L686 HydrophobicContact CB-CD2 4.34Å; F646-L686 HydrophobicContact CB-CG 4.41Å; F646-L686 HydrophobicContact CD2-CD1 3.72Å; F646-L686 HydrophobicContact CE2-CD1 4.44Å; F646-L686 HydrophobicContact CG-CD1 3.98Å; F646-P768 WeakPolarHBondContact O-CG 3.46Å; F646-L769 HydrophobicContact CB-CD2 3.96Å; F646-L769 HydrophobicContact CD1-CD2 3.42Å; F646-L769 VanDerWaalsContact CD1-CD2 3.42Å; F646-L769 HydrophobicContact CE1-CD2 4.19Å; F646-L769 HydrophobicContact CG-CD2 3.88Å |
| 647 | S | 84.9 | Confident | 87.6 | Confident | 77 Ų | 77 | 41.6 Ų | 41.6 | 54% | 0.538 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -81.3 | -33.6 | 178.4 | -60.6 | 0 | 0 | 0 | 0 | 113.8 | E643 R644 L645 | E643-S647 VanDerWaalsContact O-CB 3.27Å; E643-S647 WeakPolarHBondContact O-CB 3.04Å; E643-S647 PolarHBondContact O-N 3.27Å; E643-S647 PolarHBondContact O-OG 3.46Å; R644-S647 PolarHBondContact O-N 3.21Å; L645-S647 VanDerWaalsContact C-N 3.29Å; L645-S647 PolarHBondContact O-N 3.25Å |
| 648 | L | 79.7 | Confident | 87.7 | Confident | 107 Ų | 107 | 41 Ų | 41 | 56% | 0.56 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -119.2 | -28.7 | -168 | -62.2 | 177.8 | 0 | 0 | 0 | 115 | R644 L645 | R644-L648 HydrophobicContact CG-CD1 3.76Å; R644-L648 HydrophobicContact CG-CG 4.49Å; R644-L648 WeakPolarHBondContact O-CB 3.36Å; R644-L648 PolarHBondContact O-N 2.95Å; L645-L648 PolarHBondContact O-N 2.99Å |
| 649 | G | 77.2 | Confident | 87.6 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | -5.9 | -161.8 | 0 | 0 | 0 | 0 | 0 | 116 | A619 L645 S651 N652 | A619-G649 WeakPolarHBondContact CB-O 3.4Å; L645-G649 CarbonylContact O-C 3.59Å; L645-G649 WeakPolarHBondContact O-CA 3.42Å; L645-G649 PolarHBondContact O-N 3.49Å; G649-S651 PolarHBondContact O-N 2.94Å; G649-S651 VanDerWaalsContact O-N 3.08Å; G649-N652 WeakPolarHBondContact O-CB 3.27Å; G649-N652 PolarHBondContact O-N 3.36Å |
| 650 | A | 79.1 | Confident | 87.5 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -50.4 | -37.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L645 N652 V653 Q658 L769 | L645-A650 PolarHBondContact O-N 2.95Å; A650-N652 PolarHBondContact O-N 2.83Å; A650-V653 PolarHBondContact O-N 2.81Å; A650-Q658 VanDerWaalsContact CB-NE2 3.33Å; A650-Q658 PolarHBondContact O-NE2 3.48Å; A650-L769 HydrophobicContact CB-CD2 3.59Å |
| 651 | S | 82.4 | Confident | 87.5 | Confident | 71 Ų | 71 | 39.7 Ų | 39.7 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -65.1 | -18.7 | 179.7 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | G649 | G649-S651 PolarHBondContact O-N 2.94Å; G649-S651 VanDerWaalsContact O-N 3.08Å |
| 652 | N | 84.4 | Confident | 87.6 | Confident | 74 Ų | 74 | 39.3 Ų | 39.3 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -95 | 5.6 | -179.1 | -53.4 | -56.4 | 0 | 0 | 0 | 112.9 | K615 A616 A619 G649 A650 | K615-N652 WeakPolarHBondContact CB-ND2 3.49Å; K615-N652 PolarHBondContact O-ND2 3.3Å; A616-N652 HydrophobicContact CB-CB 4.4Å; A619-N652 HydrophobicContact CB-CB 3.98Å; G649-N652 WeakPolarHBondContact O-CB 3.27Å; G649-N652 PolarHBondContact O-N 3.36Å; A650-N652 PolarHBondContact O-N 2.83Å |
| 653 | V | 85.5 | Confident | 87.5 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -109.1 | 137.9 | 179.1 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | A619 L623 L645 A650 Q657 Q658 | A619-V653 HydrophobicContact CB-CG2 4.15Å; L623-V653 HydrophobicContact CD2-CG1 3.94Å; L645-V653 HydrophobicContact CD1-CG2 3.94Å; A650-V653 PolarHBondContact O-N 2.81Å; V653-Q657 HydrophobicContact CG1-CB 3.8Å; V653-Q658 HydrophobicContact CG1-CB 4.21Å |
| 654 | A | 87.6 | Confident | 87.5 | Confident | 62 Ų | 62 | 40.5 Ų | 40.5 | 51% | 0.512 | 24% | 0.243 | S | C | . | . | trans | -62.4 | 145.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G656 Q657 Q658 | A654-G656 VanDerWaalsContact C-N 3.31Å; A654-G656 PolarHBondContact O-N 3.11Å; A654-Q657 PolarHBondContact O-N 2.96Å; A654-Q657 VanDerWaalsContact O-N 3.14Å; A654-Q658 PolarHBondContact O-N 3.3Å | ||
| 655 | V | 88.5 | Confident | 87.6 | Confident | 69 Ų | 69 | 38.3 Ų | 38.3 | 42% | 0.418 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -53.4 | -45.2 | -173.8 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | Q658 R659 N770 I771 | V655-Q658 PolarHBondContact O-N 3.25Å; V655-R659 PolarHBondContact O-N 2.89Å; V655-N770 HydrophobicContact CG2-CB 4.01Å; V655-I771 HydrophobicContact CG1-CG2 3.58Å |
| 656 | G | 86.8 | Confident | 87.6 | Confident | 51 Ų | 51 | 38.3 Ų | 38.3 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A654 Q658 R659 V660 | A654-G656 VanDerWaalsContact C-N 3.31Å; A654-G656 PolarHBondContact O-N 3.11Å; G656-Q658 VanDerWaalsContact C-N 3.32Å; G656-Q658 PolarHBondContact O-N 2.95Å; G656-R659 PolarHBondContact O-N 3.44Å; G656-V660 PolarHBondContact O-N 2.93Å |
| 657 | Q | 88.8 | Confident | 87.6 | Confident | 66 Ų | 66 | 41 Ų | 41 | 31% | 0.308 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 176.7 | -71.2 | -179.5 | -16.8 | 0 | 0 | 111.7 | L623 V653 A654 R659 V660 A661 | L623-Q657 HydrophobicContact CD2-CB 4.28Å; V653-Q657 HydrophobicContact CG1-CB 3.8Å; A654-Q657 PolarHBondContact O-N 2.96Å; A654-Q657 VanDerWaalsContact O-N 3.14Å; Q657-R659 PolarHBondContact O-N 3.33Å; Q657-V660 PolarHBondContact O-N 2.98Å; Q657-A661 WeakPolarHBondContact O-CB 3.49Å; Q657-A661 PolarHBondContact O-N 3.32Å |
| 658 | Q | 90.5 | Very high | 87.8 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -37.9 | 177.3 | -171.3 | 173.3 | 67.8 | 0 | 0 | 112.3 | A650 V653 A654 V655 G656 V660 A661 F662 I771 | A650-Q658 VanDerWaalsContact CB-NE2 3.33Å; A650-Q658 PolarHBondContact O-NE2 3.48Å; V653-Q658 HydrophobicContact CG1-CB 4.21Å; A654-Q658 PolarHBondContact O-N 3.3Å; V655-Q658 PolarHBondContact O-N 3.25Å; G656-Q658 VanDerWaalsContact C-N 3.32Å; G656-Q658 PolarHBondContact O-N 2.95Å; Q658-V660 VanDerWaalsContact C-N 3.34Å; Q658-V660 PolarHBondContact O-N 3.14Å; Q658-A661 PolarHBondContact O-N 3.46Å; Q658-F662 WeakPolarHBondContact O-CB 3.32Å; Q658-F662 PolarHBondContact O-N 2.76Å; Q658-I771 HydrophobicContact CG-CD1 4.24Å; Q658-I771 HydrophobicContact CG-CG1 4.34Å |
| 659 | R | 90.3 | Very high | 88.3 | Confident | 96 Ų | 96 | 32.4 Ų | 32.4 | 36% | 0.362 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 173 | -72 | -167.8 | -177.7 | -154.2 | 2.8 | 111.8 | V655 G656 Q657 F662 S663 I771 | V655-R659 PolarHBondContact O-N 2.89Å; G656-R659 PolarHBondContact O-N 3.44Å; Q657-R659 PolarHBondContact O-N 3.33Å; R659-F662 PolarHBondContact O-N 2.97Å; R659-S663 PolarHBondContact O-N 2.95Å; R659-S663 VanDerWaalsContact O-N 3.07Å; R659-I771 HydrophobicContact CG-CB 4.32Å; R659-I771 HydrophobicContact CG-CD1 4.15Å; R659-I771 HydrophobicContact CG-CG2 3.54Å |
| 660 | V | 90.3 | Very high | 88.8 | Confident | 47 Ų | 47 | 35.5 Ų | 35.5 | 29% | 0.285 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64 | -50.3 | 178.2 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | G656 Q657 Q658 F662 S663 E664 | G656-V660 PolarHBondContact O-N 2.93Å; Q657-V660 PolarHBondContact O-N 2.98Å; Q658-V660 VanDerWaalsContact C-N 3.34Å; Q658-V660 PolarHBondContact O-N 3.14Å; V660-F662 VanDerWaalsContact C-N 3.3Å; V660-F662 PolarHBondContact O-N 3.42Å; V660-S663 WeakPolarHBondContact O-CB 3.44Å; V660-S663 PolarHBondContact O-N 3.26Å; V660-S663 VanDerWaalsContact O-N 3.13Å; V660-E664 HydrophobicContact CG1-CG 4.47Å; V660-E664 WeakPolarHBondContact CG1-OE1 3.32Å; V660-E664 WeakPolarHBondContact O-CG 3.44Å; V660-E664 PolarHBondContact O-N 3.15Å |
| 661 | A | 91.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.8 | -40.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L623 F642 F646 Q657 Q658 E664 Y665 | L623-A661 HydrophobicContact CD1-CB 3.57Å; F642-A661 HydrophobicContact CD1-CB 4.21Å; F642-A661 HydrophobicContact CE1-CB 3.69Å; F642-A661 HydrophobicContact CZ-CB 4.45Å; F646-A661 HydrophobicContact CE1-CB 4.48Å; F646-A661 HydrophobicContact CZ-CB 4.35Å; Q657-A661 WeakPolarHBondContact O-CB 3.49Å; Q657-A661 PolarHBondContact O-N 3.32Å; Q658-A661 PolarHBondContact O-N 3.46Å; A661-E664 PolarHBondContact O-N 2.98Å; A661-Y665 VanDerWaalsContact O-CB 3.3Å; A661-Y665 WeakPolarHBondContact O-CB 3.36Å; A661-Y665 PolarHBondContact O-N 2.74Å |
| 662 | F | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67 | -40.1 | 177.5 | -174.8 | -111.7 | 0 | 0 | 0 | 112 | F646 Q658 R659 V660 Y665 L666 L686 L769 I771 I773 L837 N839 | F646-F662 HydrophobicContact CE2-CD2 4.18Å; F646-F662 HydrophobicContact CZ-CB 4.19Å; F646-F662 HydrophobicContact CZ-CD2 4.24Å; Q658-F662 WeakPolarHBondContact O-CB 3.32Å; Q658-F662 PolarHBondContact O-N 2.76Å; R659-F662 PolarHBondContact O-N 2.97Å; V660-F662 VanDerWaalsContact C-N 3.3Å; V660-F662 PolarHBondContact O-N 3.42Å; F662-Y665 HydrophobicContact CD2-CD1 4.15Å; F662-Y665 HydrophobicContact CE2-CD1 4.27Å; F662-Y665 WeakPolarHBondContact O-CB 3.44Å; F662-Y665 PolarHBondContact O-N 2.97Å; F662-L666 HydrophobicContact CD1-CD1 4.06Å; F662-L666 HydrophobicContact CE1-CD1 3.69Å; F662-L666 HydrophobicContact CE1-CG 4.33Å; F662-L666 HydrophobicContact CZ-CD1 4.08Å; F662-L666 HydrophobicContact CZ-CD2 4.27Å; F662-L666 HydrophobicContact CZ-CG 4.33Å; F662-L666 WeakPolarHBondContact O-CG 3.17Å; F662-L666 PolarHBondContact O-N 2.72Å; F662-L686 HydrophobicContact CD2-CD1 4.21Å; F662-L686 HydrophobicContact CE2-CD1 3.81Å; F662-L769 HydrophobicContact CD2-CD1 3.96Å; F662-L769 HydrophobicContact CE2-CD1 4.26Å; F662-L769 HydrophobicContact CG-CD1 4.46Å; F662-I771 HydrophobicContact CB-CD1 3.88Å; F662-I771 HydrophobicContact CD1-CD1 4.18Å; F662-I771 HydrophobicContact CG-CD1 4.15Å; F662-I773 HydrophobicContact CE1-CG2 4.15Å; F662-I773 HydrophobicContact CE2-CG2 4.27Å; F662-I773 HydrophobicContact CZ-CB 4.44Å; F662-I773 HydrophobicContact CZ-CG2 3.83Å; F662-L837 HydrophobicContact CE2-CD2 4.03Å; F662-L837 HydrophobicContact CE2-CG 4.41Å; F662-L837 HydrophobicContact CZ-CD1 4.1Å; F662-L837 HydrophobicContact CZ-CD2 4.03Å; F662-L837 HydrophobicContact CZ-CG 3.91Å; F662-N839 VanDerWaalsContact CD1-OD1 3.23Å; F662-N839 WeakPolarHBondContact CD1-OD1 3.39Å |
| 663 | S | 91.3 | Very high | 89.1 | Confident | 38 Ų | 38 | 33.9 Ų | 33.9 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.5 | -43 | 173.9 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | R659 V660 L666 T667 | R659-S663 PolarHBondContact O-N 2.95Å; R659-S663 VanDerWaalsContact O-N 3.07Å; V660-S663 WeakPolarHBondContact O-CB 3.44Å; V660-S663 PolarHBondContact O-N 3.26Å; V660-S663 VanDerWaalsContact O-N 3.13Å; S663-L666 PolarHBondContact O-N 3.23Å; S663-T667 PolarHBondContact O-N 3.23Å; S663-T667 PolarHBondContact O-OG1 2.7Å |
| 664 | E | 92 | Very high | 88.7 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 176.4 | -71.1 | 170.7 | -179.9 | 0 | 0 | 111.7 | Q627 F642 V660 A661 T667 L668 | Q627-E664 VanDerWaalsContact CG-OE2 3.29Å; Q627-E664 WeakPolarHBondContact CG-OE2 3.28Å; F642-E664 HydrophobicContact CE2-CB 4.03Å; F642-E664 HydrophobicContact CZ-CB 4.05Å; V660-E664 HydrophobicContact CG1-CG 4.47Å; V660-E664 WeakPolarHBondContact CG1-OE1 3.32Å; V660-E664 WeakPolarHBondContact O-CG 3.44Å; V660-E664 PolarHBondContact O-N 3.15Å; A661-E664 PolarHBondContact O-N 2.98Å; E664-T667 WeakPolarHBondContact O-CB 3.27Å; E664-T667 PolarHBondContact O-N 2.85Å; E664-L668 WeakPolarHBondContact O-CG 3.48Å; E664-L668 PolarHBondContact O-N 2.87Å |
| 665 | Y | 93 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.4 | -48 | 173.3 | 166.7 | -112.1 | 0 | 0 | 0 | 112.4 | V639 F642 E643 F646 A661 F662 T667 L668 L669 L837 | V639-Y665 HydrophobicContact CG1-CE2 4.15Å; F642-Y665 HydrophobicContact CB-CD2 3.64Å; F642-Y665 HydrophobicContact CB-CE2 4.48Å; F642-Y665 HydrophobicContact CB-CG 4.07Å; F642-Y665 HydrophobicContact CD2-CD2 4.46Å; F642-Y665 HydrophobicContact CG-CD2 4.45Å; E643-Y665 HydrophobicContact CG-CE2 3.72Å; F646-Y665 HydrophobicContact CD2-CD1 4.36Å; F646-Y665 HydrophobicContact CD2-CG 4.48Å; F646-Y665 AromaticContact CE2-CD1 3.73Å; F646-Y665 HydrophobicContact CE2-CD1 3.73Å; F646-Y665 HydrophobicContact CE2-CD2 4.27Å; F646-Y665 HydrophobicContact CE2-CE1 4.34Å; F646-Y665 AromaticContact CE2-CG 3.67Å; F646-Y665 HydrophobicContact CE2-CG 3.67Å; A661-Y665 VanDerWaalsContact O-CB 3.3Å; A661-Y665 WeakPolarHBondContact O-CB 3.36Å; A661-Y665 PolarHBondContact O-N 2.74Å; F662-Y665 HydrophobicContact CD2-CD1 4.15Å; F662-Y665 HydrophobicContact CE2-CD1 4.27Å; F662-Y665 WeakPolarHBondContact O-CB 3.44Å; F662-Y665 PolarHBondContact O-N 2.97Å; Y665-T667 VanDerWaalsContact C-N 3.28Å; Y665-T667 PolarHBondContact O-N 3.38Å; Y665-L668 PolarHBondContact O-N 2.9Å; Y665-L669 HydrophobicContact CD1-CD1 4.12Å; Y665-L669 HydrophobicContact CD2-CD1 4.34Å; Y665-L669 HydrophobicContact CD2-CG 4.27Å; Y665-L669 HydrophobicContact CE1-CD1 3.51Å; Y665-L669 HydrophobicContact CE1-CG 4.42Å; Y665-L669 HydrophobicContact CE2-CD1 3.77Å; Y665-L669 HydrophobicContact CE2-CD2 4.23Å; Y665-L669 HydrophobicContact CE2-CG 3.83Å; Y665-L669 PolarHBondContact O-N 2.82Å; Y665-L837 HydrophobicContact CE1-CD2 4.27Å |
| 666 | L | 92 | Very high | 86.6 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 176.3 | -67.6 | 174.7 | 0 | 0 | 0 | 111.3 | F662 S663 L669 K670 L837 V865 | F662-L666 HydrophobicContact CD1-CD1 4.06Å; F662-L666 HydrophobicContact CE1-CD1 3.69Å; F662-L666 HydrophobicContact CE1-CG 4.33Å; F662-L666 HydrophobicContact CZ-CD1 4.08Å; F662-L666 HydrophobicContact CZ-CD2 4.27Å; F662-L666 HydrophobicContact CZ-CG 4.33Å; F662-L666 WeakPolarHBondContact O-CG 3.17Å; F662-L666 PolarHBondContact O-N 2.72Å; S663-L666 PolarHBondContact O-N 3.23Å; L666-L669 PolarHBondContact O-N 2.79Å; L666-K670 WeakPolarHBondContact O-CG 3.41Å; L666-K670 PolarHBondContact O-N 3.35Å; L666-K670 VanDerWaalsContact O-N 3.12Å; L666-L837 HydrophobicContact CD2-CB 4.33Å; L666-L837 HydrophobicContact CD2-CD2 3.9Å; L666-L837 HydrophobicContact CD2-CG 3.99Å; L666-V865 HydrophobicContact CB-CG2 4.01Å; L666-V865 HydrophobicContact CD2-CB 4.31Å; L666-V865 HydrophobicContact CD2-CG2 3.84Å; L666-V865 WeakPolarHBondContact O-CG2 3.44Å |
| 667 | T | 90.6 | Very high | 85.2 | Confident | 57 Ų | 57 | 47 Ų | 47 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.9 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | S663 E664 Y665 L669 K670 L671 | S663-T667 PolarHBondContact O-N 3.23Å; S663-T667 PolarHBondContact O-OG1 2.7Å; E664-T667 WeakPolarHBondContact O-CB 3.27Å; E664-T667 PolarHBondContact O-N 2.85Å; Y665-T667 VanDerWaalsContact C-N 3.28Å; Y665-T667 PolarHBondContact O-N 3.38Å; T667-L669 PolarHBondContact O-N 2.81Å; T667-K670 PolarHBondContact O-N 2.81Å; T667-L671 HydrophobicContact CG2-CD1 4.13Å; T667-L671 WeakPolarHBondContact O-CG 3.15Å; T667-L671 PolarHBondContact O-N 2.92Å; T667-L671 VanDerWaalsContact O-N 3.1Å |
| 668 | L | 90.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -38 | 177.1 | -72.3 | 168.4 | 0 | 0 | 0 | 112.6 | H630 H635 V639 F642 E664 Y665 L671 S672 | H630-L668 HydrophobicContact CB-CD1 4.09Å; H630-L668 HydrophobicContact CB-CD2 4.4Å; H630-L668 HydrophobicContact CB-CG 4.47Å; H630-L668 WeakPolarHBondContact ND1-CG 3.28Å; H635-L668 HydrophobicContact CB-CD2 4.41Å; V639-L668 HydrophobicContact CG2-CB 3.86Å; F642-L668 HydrophobicContact CD2-CD1 3.87Å; F642-L668 HydrophobicContact CE2-CD1 3.68Å; E664-L668 WeakPolarHBondContact O-CG 3.48Å; E664-L668 PolarHBondContact O-N 2.87Å; Y665-L668 PolarHBondContact O-N 2.9Å; L668-L671 PolarHBondContact O-N 2.87Å; L668-S672 VanDerWaalsContact O-CB 3.26Å; L668-S672 WeakPolarHBondContact O-CB 3.4Å; L668-S672 PolarHBondContact O-N 3.23Å; L668-S672 PolarHBondContact O-OG 3.42Å |
| 669 | L | 89.7 | Confident | 81.9 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 174 | -81.5 | 174.4 | 0 | 0 | 0 | 111.3 | V639 Y665 L666 T667 S672 N673 L684 V865 | V639-L669 HydrophobicContact CG1-CD2 3.74Å; V639-L669 HydrophobicContact CG2-CD2 4.02Å; V639-L669 HydrophobicContact CG2-CG 4.23Å; Y665-L669 HydrophobicContact CD1-CD1 4.12Å; Y665-L669 HydrophobicContact CD2-CD1 4.34Å; Y665-L669 HydrophobicContact CD2-CG 4.27Å; Y665-L669 HydrophobicContact CE1-CD1 3.51Å; Y665-L669 HydrophobicContact CE1-CG 4.42Å; Y665-L669 HydrophobicContact CE2-CD1 3.77Å; Y665-L669 HydrophobicContact CE2-CD2 4.23Å; Y665-L669 HydrophobicContact CE2-CG 3.83Å; Y665-L669 PolarHBondContact O-N 2.82Å; L666-L669 PolarHBondContact O-N 2.79Å; T667-L669 PolarHBondContact O-N 2.81Å; L669-S672 PolarHBondContact O-N 3.05Å; L669-S672 PolarHBondContact O-OG 3.16Å; L669-N673 PolarHBondContact O-N 3.39Å; L669-N673 VanDerWaalsContact O-N 3.17Å; L669-N673 PolarHBondContact O-ND2 2.94Å; L669-L684 HydrophobicContact CD1-CD2 3.74Å; L669-V865 HydrophobicContact CB-CG1 4.03Å; L669-V865 HydrophobicContact CB-CG2 4.4Å; L669-V865 HydrophobicContact CD1-CG1 4.34Å |
| 670 | K | 87.8 | Confident | 80.8 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56 | -54.3 | 176.5 | -67.9 | -176 | -177.6 | -159.7 | 0 | 111.2 | L666 T667 S672 N673 E674 S862 A864 V865 | L666-K670 WeakPolarHBondContact O-CG 3.41Å; L666-K670 PolarHBondContact O-N 3.35Å; L666-K670 VanDerWaalsContact O-N 3.12Å; T667-K670 PolarHBondContact O-N 2.81Å; K670-S672 VanDerWaalsContact C-N 3.29Å; K670-S672 PolarHBondContact O-N 3.02Å; K670-N673 PolarHBondContact O-N 3.02Å; K670-N673 VanDerWaalsContact O-N 3.14Å; K670-E674 PolarHBondContact O-N 2.88Å; K670-E674 VanDerWaalsContact O-N 3.14Å; K670-S862 PolarHBondContact NZ-O 2.89Å; K670-A864 WeakPolarHBondContact CE-O 3.42Å; K670-A864 PolarHBondContact NZ-O 2.85Å; K670-V865 HydrophobicContact CD-CG2 4.29Å; K670-V865 HydrophobicContact CG-CG2 3.67Å |
| 671 | L | 87.5 | Confident | 80.3 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.6 | -32.7 | -178.2 | -66.8 | 171.4 | 0 | 0 | 0 | 112.9 | H635 T667 L668 | H635-L671 PolarHBondContact ND1-O 3.39Å; T667-L671 HydrophobicContact CG2-CD1 4.13Å; T667-L671 WeakPolarHBondContact O-CG 3.15Å; T667-L671 PolarHBondContact O-N 2.92Å; T667-L671 VanDerWaalsContact O-N 3.1Å; L668-L671 PolarHBondContact O-N 2.87Å |
| 672 | S | 85 | Confident | 79.9 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 10% | 0.098 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.4 | -31.7 | 177.1 | 78.4 | 0 | 0 | 0 | 0 | 112.7 | L668 L669 K670 S675 | L668-S672 VanDerWaalsContact O-CB 3.26Å; L668-S672 WeakPolarHBondContact O-CB 3.4Å; L668-S672 PolarHBondContact O-N 3.23Å; L668-S672 PolarHBondContact O-OG 3.42Å; L669-S672 PolarHBondContact O-N 3.05Å; L669-S672 PolarHBondContact O-OG 3.16Å; K670-S672 VanDerWaalsContact C-N 3.29Å; K670-S672 PolarHBondContact O-N 3.02Å; S672-S675 PolarHBondContact O-OG 2.87Å |
| 673 | N | 79.4 | Confident | 79.7 | Confident | 37 Ų | 37 | 71.9 Ų | 71.9 | 20% | 0.198 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -83.1 | -31.4 | -179.8 | -71.2 | -32.4 | 0 | 0 | 0 | 113.3 | L669 K670 S675 K676 P682 | L669-N673 PolarHBondContact O-N 3.39Å; L669-N673 VanDerWaalsContact O-N 3.17Å; L669-N673 PolarHBondContact O-ND2 2.94Å; K670-N673 PolarHBondContact O-N 3.02Å; K670-N673 VanDerWaalsContact O-N 3.14Å; N673-S675 PolarHBondContact O-N 3.45Å; N673-S675 VanDerWaalsContact O-N 3.14Å; N673-K676 PolarHBondContact O-N 2.94Å; N673-P682 VanDerWaalsContact ND2-CB 3.27Å; N673-P682 WeakPolarHBondContact ND2-CB 3.3Å; N673-P682 VanDerWaalsContact ND2-CD 3.29Å; N673-P682 WeakPolarHBondContact ND2-CD 3.49Å; N673-P682 WeakPolarHBondContact ND2-CG 3.39Å |
| 674 | E | 77.1 | Confident | 79.7 | Confident | 155 Ų | 155 | 70.3 Ų | 70.3 | 72% | 0.724 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.2 | -26.6 | 173.6 | -72.7 | 175.6 | -179.9 | 0 | 0 | 112 | K670 | K670-E674 PolarHBondContact O-N 2.88Å; K670-E674 VanDerWaalsContact O-N 3.14Å |
| 675 | S | 66.4 | Low | 79.7 | Confident | 93 Ų | 93 | 71.1 Ų | 71.1 | 65% | 0.65 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -12 | 176.5 | 71.8 | 0 | 0 | 0 | 0 | 115 | S672 N673 | S672-S675 PolarHBondContact O-OG 2.87Å; N673-S675 PolarHBondContact O-N 3.45Å; N673-S675 VanDerWaalsContact O-N 3.14Å |
| 676 | K | 64.5 | Low | 79.6 | Confident | 129 Ų | 129 | 71.3 Ų | 71.3 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -106.1 | 149.3 | -179 | -68.2 | -179 | 179.4 | 178.3 | 0 | 110.5 | N673 R678 | N673-K676 PolarHBondContact O-N 2.94Å; K676-R678 PolarHBondContact O-N 3.03Å |
| 677 | S | 57.8 | Low | 79.7 | Confident | 91 Ų | 91 | 71.2 Ų | 71.2 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | trans | -57.4 | 140 | 178.2 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | S679 D680 | S677-S679 PolarHBondContact O-N 2.81Å; S677-D680 PolarHBondContact O-N 2.8Å | ||
| 678 | R | 55 | Low | 79.7 | Confident | 264 Ų | 264 | 74.4 Ų | 74.4 | 100% | 0.996 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | -12.8 | -172.9 | -118.3 | 179.4 | -177.7 | 179.3 | 0.1 | 117.4 | K676 | K676-R678 PolarHBondContact O-N 3.03Š|
| 679 | S | 55.7 | Low | 79.7 | Confident | 101 Ų | 101 | 75 Ų | 75 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -15.4 | -176.2 | 77.7 | 0 | 0 | 0 | 0 | 114.9 | S677 | S677-S679 PolarHBondContact O-N 2.81Š|
| 680 | D | 66.9 | Low | 79.8 | Confident | 118 Ų | 118 | 77 Ų | 77 | 63% | 0.631 | 39% | 0.391 | S | S | * | . | trans | -106.2 | 96.9 | -173.2 | -124.8 | 9.6 | 0 | 0 | 0 | 111 | S677 | S677-D680 PolarHBondContact O-N 2.8Š| ||
| 681 | V | 79 | Confident | 79.6 | Confident | 58 Ų | 58 | 75.7 Ų | 75.7 | 35% | 0.352 | 39% | 0.387 | S | S | . | . | trans | -68.3 | 137 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | Y866 | V681-Y866 HydrophobicContact CG1-CD1 3.76Å; V681-Y866 HydrophobicContact CG1-CE1 3.78Å; V681-Y866 HydrophobicContact CG2-CE1 4.24Å | ||
| 682 | P | 84.4 | Confident | 79.3 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 11% | 0.11 | 40% | 0.397 | C | S | . | . | trans | -60.8 | 142 | -179.7 | 27 | -38 | 0 | 0 | 0 | 111.8 | N673 V865 Y866 G867 S868 | N673-P682 VanDerWaalsContact ND2-CB 3.27Å; N673-P682 WeakPolarHBondContact ND2-CB 3.3Å; N673-P682 VanDerWaalsContact ND2-CD 3.29Å; N673-P682 WeakPolarHBondContact ND2-CD 3.49Å; N673-P682 WeakPolarHBondContact ND2-CG 3.39Å; P682-V865 HydrophobicContact CG-CG1 4.48Å; P682-Y866 WeakPolarHBondContact CD-O 3.2Å; P682-Y866 WeakPolarHBondContact CG-O 3.28Å; P682-G867 WeakPolarHBondContact O-CA 3.22Å; P682-S868 PolarHBondContact O-N 3.43Å | ||
| 683 | K | 88.8 | Confident | 79.3 | Confident | 175 Ų | 175 | 80.9 Ų | 80.9 | 76% | 0.761 | 41% | 0.408 | S | S | * | . | B | Isolated β-bridge | trans | -83.7 | 113 | 171.5 | -65.4 | -177.6 | -177.1 | 178.5 | 0 | 108.7 | S868 | K683-S868 CarbonylContact C-O 3.48Å; K683-S868 WeakPolarHBondContact CA-O 3.31Å |
| 684 | L | 91.4 | Very high | 79.7 | Confident | 5 Ų | 5 | 79.1 Ų | 79.1 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | trans | -89.8 | 142.3 | 179.5 | -61 | 176.6 | 0 | 0 | 0 | 110.6 | L669 Y835 L837 S868 Q869 | L669-L684 HydrophobicContact CD1-CD2 3.74Å; L684-Y835 HydrophobicContact CB-CE2 4.38Å; L684-Y835 HydrophobicContact CD1-CD2 3.96Å; L684-Y835 HydrophobicContact CD1-CE2 3.42Å; L684-Y835 VanDerWaalsContact CD1-CE2 3.42Å; L684-L837 HydrophobicContact CD1-CB 4.05Å; L684-S868 PolarHBondContact N-O 3Å; L684-Q869 VanDerWaalsContact O-CG 3.31Å; L684-Q869 WeakPolarHBondContact O-CG 3.45Å; L684-Q869 PolarHBondContact O-NE2 2.99Å | ||
| 685 | V | 90.8 | Very high | 80.1 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | trans | -100.5 | -9.7 | 175.7 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | E643 | E643-V685 HydrophobicContact CB-CG1 4.42Å; E643-V685 HydrophobicContact CB-CG2 3.9Å; E643-V685 HydrophobicContact CG-CG1 4.19Å; E643-V685 HydrophobicContact CG-CG2 3.64Å | ||
| 686 | L | 91.7 | Very high | 81.1 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | trans | -123 | 132.9 | -178.7 | -71.9 | 174.4 | 0 | 0 | 0 | 110.8 | F646 F662 P768 L769 Y835 L837 | F646-L686 HydrophobicContact CB-CD1 4.01Å; F646-L686 HydrophobicContact CB-CD2 4.34Å; F646-L686 HydrophobicContact CB-CG 4.41Å; F646-L686 HydrophobicContact CD2-CD1 3.72Å; F646-L686 HydrophobicContact CE2-CD1 4.44Å; F646-L686 HydrophobicContact CG-CD1 3.98Å; F662-L686 HydrophobicContact CD2-CD1 4.21Å; F662-L686 HydrophobicContact CE2-CD1 3.81Å; L686-P768 HydrophobicContact CD2-CG 3.57Å; L686-L769 HydrophobicContact CD1-CD1 3.96Å; L686-L769 HydrophobicContact CD1-CG 4.48Å; L686-Y835 WeakPolarHBondContact O-CE2 3.49Å; L686-Y835 PolarHBondContact O-OH 2.88Å; L686-L837 HydrophobicContact CB-CD2 4.17Å | ||
| 687 | P | 93.5 | Very high | 82 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | S | Bend | cis | -70 | 168.7 | -3.2 | 31.6 | -38.1 | 0 | 0 | 0 | 111.6 | I689 L765 I773 L775 L807 Y835 Q869 | P687-I689 PolarHBondContact O-N 2.87Å; P687-L765 HydrophobicContact CB-CB 4.44Å; P687-L765 HydrophobicContact CG-CD1 4.17Å; P687-L765 HydrophobicContact CG-CD2 4.23Å; P687-I773 HydrophobicContact CB-CD1 4.04Å; P687-L775 HydrophobicContact CG-CD1 4.05Å; P687-L775 HydrophobicContact CG-CD2 4.26Å; P687-L807 HydrophobicContact CB-CD1 4.5Å; P687-L807 HydrophobicContact CB-CD2 3.94Å; P687-L807 HydrophobicContact CG-CD1 4.46Å; P687-Y835 WeakPolarHBondContact CD-OH 3.17Å; P687-Q869 PolarHBondContact O-NE2 2.97Å; P687-Q869 PolarHBondContact O-OE1 3.1Å |
| 688 | K | 91.2 | Very high | 83 | Confident | 124 Ų | 124 | 58 Ų | 58 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 117.7 | 172.1 | -169.8 | 175.7 | -177.6 | 178.3 | 0 | 109.2 | L765 S766 | K688-L765 CarbonylContact O-C 3.48Å; K688-S766 PolarHBondContact N-O 3.45Å; K688-S766 PolarHBondContact O-N 3.38Å |
| 689 | I | 91.2 | Very high | 83.4 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 126.7 | 173 | -52.4 | 172.5 | 0 | 0 | 0 | 108.5 | P687 D691 L765 I833 Q869 M871 | P687-I689 PolarHBondContact O-N 2.87Å; I689-D691 VanDerWaalsContact C-N 3.25Å; I689-D691 VanDerWaalsContact CG2-OD1 3.27Å; I689-D691 WeakPolarHBondContact CG2-OD1 3.23Å; I689-D691 PolarHBondContact O-N 3.42Å; I689-D691 VanDerWaalsContact O-N 3.13Å; I689-L765 HydrophobicContact CB-CD2 4.48Å; I689-L765 HydrophobicContact CG1-CD2 3.99Å; I689-L765 HydrophobicContact CG2-CD2 4.5Å; I689-I833 HydrophobicContact CD1-CD1 3.5Å; I689-I833 HydrophobicContact CD1-CG1 3.6Å; I689-I833 HydrophobicContact CG1-CD1 4.07Å; I689-Q869 HydrophobicContact CD1-CB 3.89Å; I689-Q869 HydrophobicContact CD1-CG 3.72Å; I689-Q869 HydrophobicContact CG1-CG 4.38Å; I689-M871 HydrophobicContact CD1-CG 4.12Å; I689-M871 HydrophobicContact CG2-CG 4.47Å |
| 690 | L | 90 | Very high | 83.9 | Confident | 45 Ų | 45 | 41.3 Ų | 41.3 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | trans | -86.3 | 70.7 | 173.3 | -57.5 | 177.9 | 0 | 0 | 0 | 108.6 | E692 Q693 T694 H764 | L690-E692 PolarHBondContact O-N 3.34Å; L690-E692 VanDerWaalsContact O-N 3.08Å; L690-Q693 HydrophobicContact CB-CB 4.25Å; L690-Q693 HydrophobicContact CB-CG 4.47Å; L690-Q693 VanDerWaalsContact CD1-OE1 3.23Å; L690-Q693 WeakPolarHBondContact O-CA 3.48Å; L690-Q693 WeakPolarHBondContact O-CB 3.4Å; L690-Q693 PolarHBondContact O-N 3.33Å; L690-T694 PolarHBondContact O-N 3.16Å; L690-H764 HydrophobicContact CB-CB 4.08Å; L690-H764 WeakPolarHBondContact CB-O 3.3Å; L690-H764 HydrophobicContact CD1-CB 4.32Å; L690-H764 PolarHBondContact N-O 2.91Å | ||
| 691 | D | 83.8 | Confident | 83.9 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 20% | 0.203 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -48.4 | -43.1 | -170.9 | -69.7 | -39.7 | 0 | 0 | 0 | 113.1 | I689 Q693 T694 V873 | I689-D691 VanDerWaalsContact C-N 3.25Å; I689-D691 VanDerWaalsContact CG2-OD1 3.27Å; I689-D691 WeakPolarHBondContact CG2-OD1 3.23Å; I689-D691 PolarHBondContact O-N 3.42Å; I689-D691 VanDerWaalsContact O-N 3.13Å; D691-Q693 PolarHBondContact O-N 2.95Å; D691-T694 WeakPolarHBondContact O-CB 3.37Å; D691-T694 PolarHBondContact O-N 3.45Å; D691-T694 PolarHBondContact O-OG1 3.34Å; D691-V873 HydrophobicContact CB-CG2 4.47Å |
| 692 | E | 82.4 | Confident | 82.9 | Confident | 117 Ų | 117 | 38.3 Ų | 38.3 | 55% | 0.547 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -62.3 | -30.1 | -178.7 | -62.1 | -173.2 | 174.3 | 0 | 0 | 113.1 | L690 T694 Q743 R895 | L690-E692 PolarHBondContact O-N 3.34Å; L690-E692 VanDerWaalsContact O-N 3.08Å; E692-T694 VanDerWaalsContact C-N 3.32Å; E692-Q743 WeakPolarHBondContact O-CG 3.31Å; E692-R895 PolarHBondContact O-NH1 3.31Å |
| 693 | Q | 85.2 | Confident | 82.1 | Confident | 69 Ų | 69 | 46 Ų | 46 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -85.1 | -3.2 | 177.3 | -67.9 | 177.6 | -4.9 | 0 | 0 | 112.8 | L690 D691 V695 H764 N813 | L690-Q693 HydrophobicContact CB-CB 4.25Å; L690-Q693 HydrophobicContact CB-CG 4.47Å; L690-Q693 VanDerWaalsContact CD1-OE1 3.23Å; L690-Q693 WeakPolarHBondContact O-CA 3.48Å; L690-Q693 WeakPolarHBondContact O-CB 3.4Å; L690-Q693 PolarHBondContact O-N 3.33Å; D691-Q693 PolarHBondContact O-N 2.95Å; Q693-V695 PolarHBondContact O-N 3.16Å; Q693-H764 HydrophobicContact CB-CB 3.95Å; Q693-H764 PolarHBondContact O-CD2 3.43Å; Q693-N813 PolarHBondContact OE1-OD1 3.24Å |
| 694 | T | 86.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -60.4 | 130.9 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | L690 D691 E692 V761 L763 M871 R895 L896 | L690-T694 PolarHBondContact O-N 3.16Å; D691-T694 WeakPolarHBondContact O-CB 3.37Å; D691-T694 PolarHBondContact O-N 3.45Å; D691-T694 PolarHBondContact O-OG1 3.34Å; E692-T694 VanDerWaalsContact C-N 3.32Å; T694-V761 HydrophobicContact CG2-CG1 3.85Å; T694-L763 HydrophobicContact CG2-CD2 4.05Å; T694-M871 HydrophobicContact CG2-CE 3.62Å; T694-M871 WeakPolarHBondContact OG1-CE 3.28Å; T694-R895 PolarHBondContact O-NH1 2.93Å; T694-L896 HydrophobicContact CG2-CD2 4.21Å | ||
| 695 | V | 85.9 | Confident | 79.6 | Confident | 14 Ų | 14 | 38.5 Ų | 38.5 | 9% | 0.085 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.5 | 176 | -176.5 | 0 | 0 | 0 | 0 | 110 | Q693 Y697 Y740 R741 K762 | Q693-V695 PolarHBondContact O-N 3.16Å; V695-Y697 HydrophobicContact CB-CE2 4.06Å; V695-Y697 HydrophobicContact CG1-CD2 3.92Å; V695-Y697 HydrophobicContact CG1-CE1 4.41Å; V695-Y697 HydrophobicContact CG1-CE2 3.3Å; V695-Y740 HydrophobicContact CB-CE2 4.49Å; V695-Y740 HydrophobicContact CG1-CD2 3.7Å; V695-Y740 HydrophobicContact CG1-CE2 3.26Å; V695-Y740 HydrophobicContact CG2-CE2 4.42Å; V695-R741 WeakPolarHBondContact CA-O 3.29Å; V695-K762 HydrophobicContact CB-CB 4.29Å; V695-K762 PolarHBondContact N-O 3.33Å; V695-K762 VanDerWaalsContact N-O 3.11Å; V695-K762 PolarHBondContact O-N 2.84Å |
| 696 | V | 87.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.8 | 175 | -167.3 | 0 | 0 | 0 | 0 | 110.2 | R741 V759 M760 L896 | V696-R741 HydrophobicContact CB-CB 4.33Å; V696-R741 PolarHBondContact N-O 3.13Å; V696-R741 PolarHBondContact O-N 2.81Å; V696-V759 HydrophobicContact CG1-CG1 3.33Å; V696-M760 CarbonylContact C-O 3.58Å; V696-M760 WeakPolarHBondContact CA-O 3.36Å; V696-L896 HydrophobicContact CG2-CD2 3.83Å |
| 697 | Y | 84.2 | Confident | 76.9 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.9 | 174.2 | -62.7 | -92.7 | 0 | 0 | 0 | 110.4 | V695 C699 V705 C739 Y740 V759 M760 K762 | V695-Y697 HydrophobicContact CB-CE2 4.06Å; V695-Y697 HydrophobicContact CG1-CD2 3.92Å; V695-Y697 HydrophobicContact CG1-CE1 4.41Å; V695-Y697 HydrophobicContact CG1-CE2 3.3Å; Y697-C699 WeakPolarHBondContact CB-SG 3.4Å; Y697-C699 PolarHBondContact O-N 2.71Å; Y697-V705 HydrophobicContact CD2-CG1 4.29Å; Y697-V705 HydrophobicContact CE2-CG1 4.43Å; Y697-V705 HydrophobicContact CG-CG1 4.34Å; Y697-C739 CarbonylContact C-O 3.52Å; Y697-C739 VanDerWaalsContact CA-O 3.31Å; Y697-C739 WeakPolarHBondContact CA-O 3.46Å; Y697-Y740 HydrophobicContact CD1-CD2 4.17Å; Y697-Y740 AromaticContact CE1-CD2 3.52Å; Y697-Y740 HydrophobicContact CE1-CD2 3.52Å; Y697-Y740 HydrophobicContact CE1-CE2 4.21Å; Y697-Y740 AromaticContact CZ-CD2 3.8Å; Y697-V759 CarbonylContact O-C 3.55Å; Y697-V759 WeakPolarHBondContact O-CA 3.23Å; Y697-V759 WeakPolarHBondContact O-CG1 3.41Å; Y697-M760 PolarHBondContact N-O 3.44Å; Y697-M760 PolarHBondContact O-N 2.84Å; Y697-K762 HydrophobicContact CD2-CG 4.34Å; Y697-K762 HydrophobicContact CE2-CD 3.83Å; Y697-K762 HydrophobicContact CE2-CG 4Å |
| 698 | S | 78.3 | Confident | 75.6 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 75.8 | 168.5 | -55.2 | 0 | 0 | 0 | 0 | 108.3 | C739 R741 Q757 | S698-C739 PolarHBondContact N-O 2.96Å; S698-R741 PolarHBondContact OG-NH2 3.07Å; S698-Q757 PolarHBondContact O-NE2 3.11Å |
| 699 | C | 64.1 | Low | 74.2 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | trans | -70.8 | 145.7 | -172.8 | -46.4 | 0 | 0 | 0 | 0 | 110.6 | Y697 V705 Q757 T758 | Y697-C699 WeakPolarHBondContact CB-SG 3.4Å; Y697-C699 PolarHBondContact O-N 2.71Å; C699-V705 HydrophobicContact CB-CG2 4.35Å; C699-V705 WeakPolarHBondContact SG-CG2 3.16Å; C699-Q757 VanDerWaalsContact O-CD 3.28Å; C699-Q757 WeakPolarHBondContact O-CG 3.08Å; C699-Q757 PolarHBondContact O-NE2 3.35Å; C699-T758 PolarHBondContact N-O 2.86Å | ||
| 700 | I | 65.1 | Low | 72.4 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -77.8 | -45.2 | 171.4 | -49.6 | -156.8 | 0 | 0 | 0 | 108.7 | E704 L906 W1012 T1026 | I700-E704 WeakPolarHBondContact CB-OE2 3.06Å; I700-L906 HydrophobicContact CG2-CD1 3.22Å; I700-L906 HydrophobicContact CG2-CG 4.29Å; I700-W1012 HydrophobicContact CD1-CH2 3.49Å; I700-W1012 VanDerWaalsContact CD1-CH2 3.49Å; I700-W1012 HydrophobicContact CD1-CZ2 3.94Å; I700-T1026 WeakPolarHBondContact CD1-O 3.18Å |
| 701 | L | 66.2 | Low | 70.4 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -134.3 | 147.3 | 170.3 | -64.9 | 168.7 | 0 | 0 | 0 | 109.5 | E703 E704 K908 I933 | L701-E703 PolarHBondContact O-N 3.12Å; L701-E704 HydrophobicContact CB-CG 4.07Å; L701-E704 PolarHBondContact O-N 2.89Å; L701-E704 VanDerWaalsContact O-N 3.17Å; L701-K908 HydrophobicContact CD1-CB 4.2Å; L701-K908 HydrophobicContact CD1-CD 4.32Å; L701-K908 HydrophobicContact CD1-CG 3.82Å; L701-I933 HydrophobicContact CD1-CD1 4.21Å; L701-I933 HydrophobicContact CD2-CD1 4.01Å; L701-I933 HydrophobicContact CG-CD1 4.48Å |
| 702 | P | 59.7 | Low | 68.8 | Low | 71 Ų | 71 | 47.7 Ų | 47.7 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -58.9 | -32.1 | -177.6 | -24.4 | 33.8 | 0 | 0 | 0 | 114.3 | E704 V705 | P702-E704 PolarHBondContact O-N 2.93Å; P702-V705 WeakPolarHBondContact O-CG2 3.42Å |
| 703 | E | 67 | Low | 67.7 | Low | 177 Ų | 177 | 47.6 Ų | 47.6 | 83% | 0.827 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -68.2 | -21 | -178.5 | -60.1 | 171.5 | -152.7 | 0 | 0 | 112.7 | L701 V705 | L701-E703 PolarHBondContact O-N 3.12Å; E703-V705 VanDerWaalsContact C-N 3.35Å; E703-V705 PolarHBondContact O-N 3.38Å |
| 704 | E | 67.1 | Low | 66.8 | Low | 14 Ų | 14 | 48.6 Ų | 48.6 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -85.1 | -4.6 | -174.7 | -58.7 | -179.3 | 177 | 0 | 0 | 113.9 | I700 L701 P702 G706 C707 Y708 F1027 | I700-E704 WeakPolarHBondContact CB-OE2 3.06Å; L701-E704 HydrophobicContact CB-CG 4.07Å; L701-E704 PolarHBondContact O-N 2.89Å; L701-E704 VanDerWaalsContact O-N 3.17Å; P702-E704 PolarHBondContact O-N 2.93Å; E704-G706 VanDerWaalsContact C-N 3.27Å; E704-G706 PolarHBondContact O-N 2.89Å; E704-C707 VanDerWaalsContact O-CB 3.24Å; E704-C707 WeakPolarHBondContact O-CB 2.93Å; E704-C707 PolarHBondContact O-N 3.19Å; E704-Y708 HydrophobicContact CB-CE2 3.97Å; E704-Y708 WeakPolarHBondContact O-CD2 3.45Å; E704-F1027 HydrophobicContact CB-CD2 4.49Å; E704-F1027 HydrophobicContact CB-CE2 4.03Å; E704-F1027 VanDerWaalsContact CD-CD2 3.43Å; E704-F1027 VanDerWaalsContact CD-CE2 3.45Å; E704-F1027 HydrophobicContact CG-CD2 4.12Å; E704-F1027 HydrophobicContact CG-CE2 3.62Å; E704-F1027 WeakPolarHBondContact OE2-CD2 3.2Å |
| 705 | V | 59.9 | Low | 66.1 | Low | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55 | -43.2 | -173.2 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | Y697 C699 P702 E703 C707 Y708 E709 M760 | Y697-V705 HydrophobicContact CD2-CG1 4.29Å; Y697-V705 HydrophobicContact CE2-CG1 4.43Å; Y697-V705 HydrophobicContact CG-CG1 4.34Å; C699-V705 HydrophobicContact CB-CG2 4.35Å; C699-V705 WeakPolarHBondContact SG-CG2 3.16Å; P702-V705 WeakPolarHBondContact O-CG2 3.42Å; E703-V705 VanDerWaalsContact C-N 3.35Å; E703-V705 PolarHBondContact O-N 3.38Å; V705-C707 PolarHBondContact O-N 3.38Å; V705-C707 VanDerWaalsContact O-N 3.08Å; V705-Y708 PolarHBondContact O-N 2.87Å; V705-E709 PolarHBondContact O-N 2.97Å; V705-M760 HydrophobicContact CB-CE 4.42Å; V705-M760 HydrophobicContact CB-SD 4.08Å; V705-M760 HydrophobicContact CG1-SD 3.65Å; V705-M760 HydrophobicContact CG2-CE 3.42Å; V705-M760 VanDerWaalsContact CG2-CE 3.42Å; V705-M760 HydrophobicContact CG2-SD 3.44Å; V705-M760 WeakPolarHBondContact CG2-SD 3.28Å |
| 706 | G | 62.4 | Low | 65.6 | Low | 45 Ų | 45 | 52.7 Ų | 52.7 | 46% | 0.464 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.4 | -23.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E704 Y708 | E704-G706 VanDerWaalsContact C-N 3.27Å; E704-G706 PolarHBondContact O-N 2.89Å; G706-Y708 VanDerWaalsContact C-N 3.31Å; G706-Y708 PolarHBondContact O-N 3.44Å |
| 707 | C | 63.8 | Low | 65.3 | Low | 29 Ų | 29 | 53 Ų | 53 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -76.5 | -19.8 | 177.3 | -50.5 | 0 | 0 | 0 | 0 | 113.6 | E704 V705 R1028 R1030 | E704-C707 VanDerWaalsContact O-CB 3.24Å; E704-C707 WeakPolarHBondContact O-CB 2.93Å; E704-C707 PolarHBondContact O-N 3.19Å; V705-C707 PolarHBondContact O-N 3.38Å; V705-C707 VanDerWaalsContact O-N 3.08Å; C707-R1028 WeakPolarHBondContact CB-O 3.28Å; C707-R1030 PolarHBondContact O-NE 3.04Å; C707-R1030 PolarHBondContact O-NH2 2.68Å; C707-R1030 VanDerWaalsContact O-NH2 3.13Å |
| 708 | Y | 65.7 | Low | 65.1 | Low | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -99.3 | -11.9 | 178.7 | -60.3 | -79.2 | 0 | 0 | 0 | 113.4 | E704 V705 G706 E710 C739 T1026 R1028 | E704-Y708 HydrophobicContact CB-CE2 3.97Å; E704-Y708 WeakPolarHBondContact O-CD2 3.45Å; V705-Y708 PolarHBondContact O-N 2.87Å; G706-Y708 VanDerWaalsContact C-N 3.31Å; G706-Y708 PolarHBondContact O-N 3.44Å; Y708-E710 PolarHBondContact O-N 2.69Å; Y708-C739 HydrophobicContact CD1-CB 4Å; Y708-C739 WeakPolarHBondContact CD1-SG 3.47Å; Y708-C739 HydrophobicContact CE1-CB 3.93Å; Y708-C739 VanDerWaalsContact CE1-SG 3.53Å; Y708-T1026 PolarHBondContact OH-O 2.89Å; Y708-T1026 VanDerWaalsContact OH-O 3.11Å; Y708-R1028 HydrophobicContact CD1-CB 4.46Å; Y708-R1028 HydrophobicContact CD1-CG 4.27Å; Y708-R1028 HydrophobicContact CE1-CB 4.21Å; Y708-R1028 HydrophobicContact CE1-CG 3.94Å |
| 709 | E | 61.4 | Low | 65.3 | Low | 78 Ų | 78 | 56.8 Ų | 56.8 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -58.8 | 132.9 | 178.4 | -74.2 | 177.6 | -164.6 | 0 | 0 | 111.6 | V705 S711 K762 R1030 | V705-E709 PolarHBondContact O-N 2.97Å; E709-S711 PolarHBondContact O-N 3.2Å; E709-K762 VanDerWaalsContact CD-NZ 3.3Å; E709-K762 IonicContact OE1-NZ 3.41Å; E709-K762 PolarHBondContact OE1-NZ 2.88Å; E709-K762 IonicContact OE2-NZ 3.52Å; E709-R1030 PolarHBondContact O-NH1 3Å; E709-R1030 PolarHBondContact O-NH2 3.26Å; E709-R1030 VanDerWaalsContact O-NH2 3.16Å |
| 710 | E | 54.7 | Low | 66.4 | Low | 92 Ų | 92 | 56.8 Ų | 56.8 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | trans | -72.2 | 115.5 | -174.6 | -91.7 | -174.1 | 158.2 | 0 | 0 | 111.6 | Y708 Y740 | Y708-E710 PolarHBondContact O-N 2.69Å; E710-Y740 HydrophobicContact CG-CD1 4.46Å; E710-Y740 HydrophobicContact CG-CE1 3.94Å; E710-Y740 HydrophobicContact CG-CE2 4.14Å; E710-Y740 WeakPolarHBondContact OE1-CE1 3.47Å; E710-Y740 WeakPolarHBondContact OE2-CE1 3.3Å; E710-Y740 PolarHBondContact OE2-OH 3.36Å | ||
| 711 | S | 48.4 | Very low | 67.4 | Low | 65 Ų | 65 | 56.2 Ų | 56.2 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | trans | -128.5 | 97.1 | 156.3 | 159.6 | 0 | 0 | 0 | 0 | 106.4 | E709 Q713 | E709-S711 PolarHBondContact O-N 3.2Å; S711-Q713 PolarHBondContact O-N 3.08Å | ||
| 712 | D | 49 | Very low | 68.3 | Low | 149 Ų | 149 | 60.3 Ų | 60.3 | 80% | 0.797 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 67.9 | -12.4 | 155.9 | -66.9 | -30.2 | 0 | 0 | 0 | 125.8 | ||
| 713 | Q | 60.6 | Low | 69.7 | Low | 115 Ų | 115 | 57.2 Ų | 57.2 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | trans | -148.3 | 82.2 | 179.3 | -66 | -172 | -1.1 | 0 | 0 | 115.8 | S711 A715 C716 | S711-Q713 PolarHBondContact O-N 3.08Å; Q713-A715 PolarHBondContact O-N 3.38Å; Q713-C716 HydrophobicContact CB-CB 4.37Å; Q713-C716 PolarHBondContact O-N 2.86Å; Q713-C716 PolarHBondContact O-SG 3.13Å | ||
| 714 | P | 64.9 | Low | 70.7 | Confident | 90 Ų | 90 | 48.8 Ų | 48.8 | 58% | 0.584 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.5 | -26.9 | 172.8 | 22.3 | -31.9 | 0 | 0 | 0 | 113.2 | C716 A718 | P714-C716 VanDerWaalsContact C-N 3.33Å; P714-C716 PolarHBondContact O-N 2.85Å; P714-A718 PolarHBondContact O-N 2.91Å |
| 715 | A | 71.7 | Confident | 71.6 | Confident | 74 Ų | 74 | 48.3 Ų | 48.3 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.1 | -33.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q713 A718 S719 | Q713-A715 PolarHBondContact O-N 3.38Å; A715-A718 PolarHBondContact O-N 3.08Å; A715-S719 PolarHBondContact O-N 3.02Å; A715-S719 VanDerWaalsContact O-N 3.09Å |
| 716 | C | 76.1 | Confident | 72.8 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.1 | -43.5 | -178.3 | 73.5 | 0 | 0 | 0 | 0 | 111.6 | Q713 P714 S719 M720 | Q713-C716 HydrophobicContact CB-CB 4.37Å; Q713-C716 PolarHBondContact O-N 2.86Å; Q713-C716 PolarHBondContact O-SG 3.13Å; P714-C716 VanDerWaalsContact C-N 3.33Å; P714-C716 PolarHBondContact O-N 2.85Å; C716-S719 PolarHBondContact O-N 2.76Å; C716-M720 WeakPolarHBondContact O-CG 3.39Å; C716-M720 PolarHBondContact O-N 3.19Å; C716-M720 VanDerWaalsContact O-N 3.14Å |
| 717 | W | 80.6 | Confident | 73.9 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 175 | -67.2 | 112.1 | 0 | 0 | 0 | 111.5 | S719 M720 E721 R1007 L1009 R1028 R1030 | W717-S719 VanDerWaalsContact C-N 3.3Å; W717-S719 PolarHBondContact O-N 3.47Å; W717-M720 HydrophobicContact CE3-SD 4.17Å; W717-M720 HydrophobicContact CZ3-CE 4.32Å; W717-M720 HydrophobicContact CZ3-SD 4.34Å; W717-M720 PolarHBondContact O-N 3.33Å; W717-M720 VanDerWaalsContact O-N 3.17Å; W717-E721 WeakPolarHBondContact O-CB 3.35Å; W717-E721 VanDerWaalsContact O-CG 3.28Å; W717-E721 WeakPolarHBondContact O-CG 3.29Å; W717-E721 PolarHBondContact O-N 2.88Å; W717-R1007 HydrophobicContact CH2-CB 3.61Å; W717-R1007 HydrophobicContact CH2-CG 4.18Å; W717-R1007 HydrophobicContact CZ2-CB 3.8Å; W717-R1007 HydrophobicContact CZ2-CG 3.83Å; W717-R1007 HydrophobicContact CZ3-CB 4.29Å; W717-L1009 HydrophobicContact CE3-CB 4.29Å; W717-L1009 HydrophobicContact CE3-CD1 4.01Å; W717-L1009 HydrophobicContact CZ3-CB 3.98Å; W717-L1009 HydrophobicContact CZ3-CD1 4.17Å; W717-R1028 HydrophobicContact CD2-CG 4.06Å; W717-R1028 HydrophobicContact CE3-CB 4.33Å; W717-R1028 HydrophobicContact CE3-CG 3.73Å; W717-R1028 HydrophobicContact CH2-CB 3.73Å; W717-R1028 HydrophobicContact CH2-CG 4.07Å; W717-R1028 HydrophobicContact CZ2-CB 4.12Å; W717-R1028 HydrophobicContact CZ2-CG 4.41Å; W717-R1028 HydrophobicContact CZ3-CB 3.85Å; W717-R1028 HydrophobicContact CZ3-CG 3.72Å; W717-R1030 HydrophobicContact CH2-CG 4.34Å; W717-R1030 HydrophobicContact CZ2-CG 3.95Å |
| 718 | A | 80 | Confident | 74.9 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 31% | 0.314 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P714 A715 E721 Q722 | P714-A718 PolarHBondContact O-N 2.91Å; A715-A718 PolarHBondContact O-N 3.08Å; A718-E721 PolarHBondContact O-N 3.49Å; A718-Q722 WeakPolarHBondContact O-CB 3.31Å; A718-Q722 PolarHBondContact O-N 3.18Å |
| 719 | S | 83.5 | Confident | 75.7 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 174.5 | 176.8 | 0 | 0 | 0 | 0 | 112 | A715 C716 W717 Q722 S723 N971 | A715-S719 PolarHBondContact O-N 3.02Å; A715-S719 VanDerWaalsContact O-N 3.09Å; C716-S719 PolarHBondContact O-N 2.76Å; W717-S719 VanDerWaalsContact C-N 3.3Å; W717-S719 PolarHBondContact O-N 3.47Å; S719-Q722 PolarHBondContact O-N 3.45Å; S719-S723 PolarHBondContact O-N 3.24Å; S719-S723 PolarHBondContact O-OG 3.29Å; S719-N971 PolarHBondContact OG-ND2 2.92Å |
| 720 | M | 86.7 | Confident | 75.7 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 178 | -65.6 | 170.9 | 68.8 | 0 | 0 | 112.1 | C716 W717 Q722 S723 C724 C944 L1009 | C716-M720 WeakPolarHBondContact O-CG 3.39Å; C716-M720 PolarHBondContact O-N 3.19Å; C716-M720 VanDerWaalsContact O-N 3.14Å; W717-M720 HydrophobicContact CE3-SD 4.17Å; W717-M720 HydrophobicContact CZ3-CE 4.32Å; W717-M720 HydrophobicContact CZ3-SD 4.34Å; W717-M720 PolarHBondContact O-N 3.33Å; W717-M720 VanDerWaalsContact O-N 3.17Å; M720-Q722 VanDerWaalsContact C-N 3.33Å; M720-Q722 PolarHBondContact O-N 3.48Å; M720-S723 PolarHBondContact O-N 2.85Å; M720-C724 PolarHBondContact O-N 2.96Å; M720-C724 PolarHBondContact O-SG 2.91Å; M720-C944 HydrophobicContact CB-CB 4.45Å; M720-C944 VanDerWaalsContact CE-C 3.42Å; M720-C944 HydrophobicContact CE-CB 4.1Å; M720-C944 WeakPolarHBondContact CE-O 3.43Å; M720-L1009 HydrophobicContact CB-CB 4.32Å; M720-L1009 HydrophobicContact CB-CD2 3.79Å; M720-L1009 HydrophobicContact CE-CB 3.57Å |
| 721 | E | 86.8 | Confident | 76 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.009 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 177.8 | -68.6 | 176.7 | -174.8 | 0 | 0 | 111.1 | W717 A718 C724 A725 F734 L1009 T1026 R1028 | W717-E721 WeakPolarHBondContact O-CB 3.35Å; W717-E721 VanDerWaalsContact O-CG 3.28Å; W717-E721 WeakPolarHBondContact O-CG 3.29Å; W717-E721 PolarHBondContact O-N 2.88Å; A718-E721 PolarHBondContact O-N 3.49Å; E721-C724 PolarHBondContact O-N 3.28Å; E721-A725 VanDerWaalsContact O-CB 3.23Å; E721-A725 WeakPolarHBondContact O-CB 3.41Å; E721-A725 PolarHBondContact O-N 2.76Å; E721-F734 HydrophobicContact CB-CE1 4.32Å; E721-F734 HydrophobicContact CB-CZ 3.7Å; E721-L1009 HydrophobicContact CB-CD2 4.07Å; E721-L1009 HydrophobicContact CG-CD1 3.98Å; E721-L1009 HydrophobicContact CG-CD2 3.51Å; E721-L1009 HydrophobicContact CG-CG 4.4Å; E721-T1026 HydrophobicContact CG-CG2 4.1Å; E721-R1028 IonicContact OE1-CZ 3.47Å; E721-R1028 IonicContact OE1-NE 2.76Å; E721-R1028 PolarHBondContact OE1-NE 3.32Å; E721-R1028 IonicContact OE1-NH2 3.25Å; E721-R1028 PolarHBondContact OE1-NH2 3.27Å |
| 722 | Q | 85.6 | Confident | 76.5 | Confident | 128 Ų | 128 | 52.3 Ų | 52.3 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.8 | -40.4 | 176 | -171.7 | 163.5 | 6.6 | 0 | 0 | 112.3 | A718 S719 M720 A725 S726 F734 | A718-Q722 WeakPolarHBondContact O-CB 3.31Å; A718-Q722 PolarHBondContact O-N 3.18Å; S719-Q722 PolarHBondContact O-N 3.45Å; M720-Q722 VanDerWaalsContact C-N 3.33Å; M720-Q722 PolarHBondContact O-N 3.48Å; Q722-A725 PolarHBondContact O-N 3.42Å; Q722-S726 WeakPolarHBondContact O-CB 3.47Å; Q722-S726 PolarHBondContact O-N 3.09Å; Q722-F734 HydrophobicContact CB-CD1 4.32Å; Q722-F734 HydrophobicContact CB-CE1 4.09Å; Q722-F734 HydrophobicContact CG-CD1 4.37Å |
| 723 | S | 87.5 | Confident | 77.1 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 173 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | S719 M720 S726 V727 V968 N971 | S719-S723 PolarHBondContact O-N 3.24Å; S719-S723 PolarHBondContact O-OG 3.29Å; M720-S723 PolarHBondContact O-N 2.85Å; S723-S726 PolarHBondContact O-N 3.32Å; S723-S726 PolarHBondContact O-OG 3.33Å; S723-V727 PolarHBondContact O-N 3.48Å; S723-V968 PolarHBondContact OG-O 2.7Å; S723-N971 PolarHBondContact OG-ND2 3.44Å |
| 724 | C | 89 | Confident | 77.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.3 | -72.9 | 0 | 0 | 0 | 0 | 112.4 | M720 E721 S726 V727 A728 C942 C944 F1011 | M720-C724 PolarHBondContact O-N 2.96Å; M720-C724 PolarHBondContact O-SG 2.91Å; E721-C724 PolarHBondContact O-N 3.28Å; C724-S726 VanDerWaalsContact C-N 3.32Å; C724-S726 PolarHBondContact O-N 2.76Å; C724-V727 PolarHBondContact O-N 2.78Å; C724-V727 VanDerWaalsContact O-N 3.14Å; C724-A728 PolarHBondContact O-N 2.88Å; C724-C942 HydrophobicContact CB-CB 4.01Å; C724-C944 WeakPolarHBondContact SG-CB 3.31Å; C724-F1011 HydrophobicContact CB-CB 3.62Å; C724-F1011 HydrophobicContact CB-CD1 4.09Å; C724-F1011 HydrophobicContact CB-CD2 3.99Å; C724-F1011 HydrophobicContact CB-CG 3.64Å |
| 725 | A | 86.3 | Confident | 77.8 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | E721 Q722 V727 A728 M729 F734 F1011 | E721-A725 VanDerWaalsContact O-CB 3.23Å; E721-A725 WeakPolarHBondContact O-CB 3.41Å; E721-A725 PolarHBondContact O-N 2.76Å; Q722-A725 PolarHBondContact O-N 3.42Å; A725-V727 PolarHBondContact O-N 3.14Å; A725-A728 PolarHBondContact O-N 3.09Å; A725-M729 WeakPolarHBondContact O-CA 3.21Å; A725-M729 VanDerWaalsContact O-CB 3.28Å; A725-M729 WeakPolarHBondContact O-CB 3.31Å; A725-M729 PolarHBondContact O-N 2.93Å; A725-F734 HydrophobicContact CB-CB 4.1Å; A725-F734 HydrophobicContact CB-CD1 4.12Å; A725-F734 HydrophobicContact CB-CD2 3.25Å; A725-F734 HydrophobicContact CB-CE1 4.43Å; A725-F734 HydrophobicContact CB-CE2 3.63Å; A725-F734 HydrophobicContact CB-CG 3.54Å; A725-F734 HydrophobicContact CB-CZ 4.23Å; A725-F1011 HydrophobicContact CB-CE2 4.15Å; A725-F1011 HydrophobicContact CB-CZ 4Å |
| 726 | S | 85.3 | Confident | 77.6 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.9 | -26.2 | 178.1 | 73.9 | 0 | 0 | 0 | 0 | 114 | Q722 S723 C724 V968 | Q722-S726 WeakPolarHBondContact O-CB 3.47Å; Q722-S726 PolarHBondContact O-N 3.09Å; S723-S726 PolarHBondContact O-N 3.32Å; S723-S726 PolarHBondContact O-OG 3.33Å; C724-S726 VanDerWaalsContact C-N 3.32Å; C724-S726 PolarHBondContact O-N 2.76Å; S726-V968 WeakPolarHBondContact OG-CG1 3.35Å |
| 727 | V | 85.3 | Confident | 77.3 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -84.8 | -46.7 | 177.3 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | S723 C724 A725 V968 V973 | S723-V727 PolarHBondContact O-N 3.48Å; C724-V727 PolarHBondContact O-N 2.78Å; C724-V727 VanDerWaalsContact O-N 3.14Å; A725-V727 PolarHBondContact O-N 3.14Å; V727-V968 HydrophobicContact CG2-CG2 3.84Å; V727-V973 HydrophobicContact CB-CG1 4.23Å; V727-V973 HydrophobicContact CG1-CG1 4.45Å; V727-V973 HydrophobicContact CG2-CB 4.17Å; V727-V973 HydrophobicContact CG2-CG1 4.03Å; V727-V973 HydrophobicContact CG2-CG2 4.42Å |
| 728 | A | 84.5 | Confident | 76.8 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -75.8 | -39.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | C724 A725 R940 F1011 | C724-A728 PolarHBondContact O-N 2.88Å; A725-A728 PolarHBondContact O-N 3.09Å; A728-R940 PolarHBondContact O-NH1 2.9Å; A728-F1011 HydrophobicContact CB-CD1 4.06Å; A728-F1011 HydrophobicContact CB-CE1 3.63Å |
| 729 | M | 81 | Confident | 76.4 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -115.4 | 77 | -168.2 | -62.8 | -93.5 | -117.4 | 0 | 0 | 111 | A725 G731 K1023 Y1024 | A725-M729 WeakPolarHBondContact O-CA 3.21Å; A725-M729 VanDerWaalsContact O-CB 3.28Å; A725-M729 WeakPolarHBondContact O-CB 3.31Å; A725-M729 PolarHBondContact O-N 2.93Å; M729-G731 PolarHBondContact O-N 2.81Å; M729-K1023 HydrophobicContact CE-CB 4.03Å; M729-Y1024 HydrophobicContact CE-CD1 3.22Å; M729-Y1024 HydrophobicContact CE-CE1 3.85Å; M729-Y1024 HydrophobicContact CE-CG 3.98Å |
| 730 | A | 62.8 | Low | 76.1 | Confident | 91 Ų | 91 | 49.7 Ų | 49.7 | 75% | 0.752 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 106.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 731 | G | 60.5 | Low | 75.7 | Confident | 82 Ų | 82 | 49.6 Ų | 49.6 | 85% | 0.845 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.8 | 3 | 166 | 0 | 0 | 0 | 0 | 0 | 117.9 | M729 | M729-G731 PolarHBondContact O-N 2.81Š|
| 732 | N | 58.2 | Low | 75.2 | Confident | 102 Ų | 102 | 49.5 Ų | 49.5 | 55% | 0.545 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -95.9 | 148.5 | 178.4 | -79 | -28.3 | 0 | 0 | 0 | 112.8 | F734 | N732-F734 PolarHBondContact O-N 3.2Å; N732-F734 VanDerWaalsContact O-N 3.12Å |
| 733 | Q | 62.8 | Low | 74.5 | Confident | 197 Ų | 197 | 48.8 Ų | 48.8 | 92% | 0.921 | 29% | 0.294 | S | S | * | . | trans | -61.5 | 112.4 | 168.6 | -87.6 | -179.5 | -10 | 0 | 0 | 109.8 | ||||
| 734 | F | 71.6 | Confident | 73.6 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | trans | -87.7 | 132.8 | 175.7 | 168.6 | -105.4 | 0 | 0 | 0 | 110.4 | E721 Q722 A725 N732 P736 F1011 Y1024 | E721-F734 HydrophobicContact CB-CE1 4.32Å; E721-F734 HydrophobicContact CB-CZ 3.7Å; Q722-F734 HydrophobicContact CB-CD1 4.32Å; Q722-F734 HydrophobicContact CB-CE1 4.09Å; Q722-F734 HydrophobicContact CG-CD1 4.37Å; A725-F734 HydrophobicContact CB-CB 4.1Å; A725-F734 HydrophobicContact CB-CD1 4.12Å; A725-F734 HydrophobicContact CB-CD2 3.25Å; A725-F734 HydrophobicContact CB-CE1 4.43Å; A725-F734 HydrophobicContact CB-CE2 3.63Å; A725-F734 HydrophobicContact CB-CG 3.54Å; A725-F734 HydrophobicContact CB-CZ 4.23Å; N732-F734 PolarHBondContact O-N 3.2Å; N732-F734 VanDerWaalsContact O-N 3.12Å; F734-P736 HydrophobicContact CE1-CG 3.83Å; F734-P736 HydrophobicContact CZ-CB 4.39Å; F734-P736 HydrophobicContact CZ-CG 4.16Å; F734-F1011 HydrophobicContact CE2-CE2 4.09Å; F734-Y1024 HydrophobicContact CD2-CE1 4.36Å; F734-Y1024 HydrophobicContact CD2-CE2 4.07Å; F734-Y1024 AromaticContact CD2-CZ 3.72Å; F734-Y1024 WeakPolarHBondContact CD2-OH 3.47Å; F734-Y1024 HydrophobicContact CE2-CD2 4.37Å; F734-Y1024 AromaticContact CE2-CE2 3.53Å; F734-Y1024 HydrophobicContact CE2-CE2 3.53Å; F734-Y1024 AromaticContact CE2-CZ 3.64Å; F734-Y1024 WeakPolarHBondContact CE2-OH 3.47Å | ||
| 735 | V | 69 | Low | 72.9 | Confident | 103 Ų | 103 | 56 Ų | 56 | 62% | 0.624 | 33% | 0.328 | S | S | * | . | trans | -130.6 | 106.7 | 177.4 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | Y737 Y1024 | V735-Y737 PolarHBondContact O-N 2.88Å; V735-Y1024 PolarHBondContact N-OH 3.45Å; V735-Y1024 VanDerWaalsContact N-OH 3.15Å; V735-Y1024 PolarHBondContact O-OH 2.9Å | ||
| 736 | P | 66.8 | Low | 72 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | trans | -40.5 | 128.7 | -173.8 | -31.1 | 34.1 | 0 | 0 | 0 | 114.3 | F734 A738 | F734-P736 HydrophobicContact CE1-CG 3.83Å; F734-P736 HydrophobicContact CZ-CB 4.39Å; F734-P736 HydrophobicContact CZ-CG 4.16Å; P736-A738 PolarHBondContact O-N 2.94Å | ||
| 737 | Y | 69.1 | Low | 71.3 | Confident | 20 Ų | 20 | 64 Ų | 64 | 8% | 0.078 | 36% | 0.355 | C | S | . | . | trans | -69.3 | 116.4 | -178.9 | -178.4 | -101.3 | 0 | 0 | 0 | 109.3 | V735 C739 V1022 | V735-Y737 PolarHBondContact O-N 2.88Å; Y737-C739 VanDerWaalsContact C-N 3.33Å; Y737-C739 HydrophobicContact CD1-CB 4.08Å; Y737-C739 HydrophobicContact CE1-CB 4.13Å; Y737-C739 PolarHBondContact O-N 3.09Å; Y737-V1022 HydrophobicContact CD2-CG1 4.44Å; Y737-V1022 HydrophobicContact CE2-CG1 4.06Å | ||
| 738 | A | 70 | Confident | 70.4 | Confident | 20 Ų | 20 | 68.6 Ų | 68.6 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | trans | -81.9 | 77.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P736 Y740 W745 | P736-A738 PolarHBondContact O-N 2.94Å; A738-Y740 VanDerWaalsContact C-N 3.29Å; A738-W745 HydrophobicContact CB-CH2 3.35Å; A738-W745 HydrophobicContact CB-CZ3 3.32Å | ||
| 739 | C | 72.8 | Confident | 70 | Confident | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.02 | 41% | 0.412 | C | S | . | . | trans | -73 | -20 | 173.3 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | Y697 S698 Y708 Y737 | Y697-C739 CarbonylContact C-O 3.52Å; Y697-C739 VanDerWaalsContact CA-O 3.31Å; Y697-C739 WeakPolarHBondContact CA-O 3.46Å; S698-C739 PolarHBondContact N-O 2.96Å; Y708-C739 HydrophobicContact CD1-CB 4Å; Y708-C739 WeakPolarHBondContact CD1-SG 3.47Å; Y708-C739 HydrophobicContact CE1-CB 3.93Å; Y708-C739 VanDerWaalsContact CE1-SG 3.53Å; Y737-C739 VanDerWaalsContact C-N 3.33Å; Y737-C739 HydrophobicContact CD1-CB 4.08Å; Y737-C739 HydrophobicContact CE1-CB 4.13Å; Y737-C739 PolarHBondContact O-N 3.09Å | ||
| 740 | Y | 75.7 | Confident | 69.9 | Low | 41 Ų | 41 | 74.6 Ų | 74.6 | 16% | 0.161 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.5 | -179.4 | 169.1 | -95.2 | 0 | 0 | 0 | 110.6 | V695 Y697 E710 A738 | V695-Y740 HydrophobicContact CB-CE2 4.49Å; V695-Y740 HydrophobicContact CG1-CD2 3.7Å; V695-Y740 HydrophobicContact CG1-CE2 3.26Å; V695-Y740 HydrophobicContact CG2-CE2 4.42Å; Y697-Y740 HydrophobicContact CD1-CD2 4.17Å; Y697-Y740 AromaticContact CE1-CD2 3.52Å; Y697-Y740 HydrophobicContact CE1-CD2 3.52Å; Y697-Y740 HydrophobicContact CE1-CE2 4.21Å; Y697-Y740 AromaticContact CZ-CD2 3.8Å; E710-Y740 HydrophobicContact CG-CD1 4.46Å; E710-Y740 HydrophobicContact CG-CE1 3.94Å; E710-Y740 HydrophobicContact CG-CE2 4.14Å; E710-Y740 WeakPolarHBondContact OE1-CE1 3.47Å; E710-Y740 WeakPolarHBondContact OE2-CE1 3.3Å; E710-Y740 PolarHBondContact OE2-OH 3.36Å; A738-Y740 VanDerWaalsContact C-N 3.29Å |
| 741 | R | 80.2 | Confident | 70.7 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 0% | 0.004 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 89 | 177.9 | -59.7 | 170 | -74.3 | -159.8 | -3.2 | 110 | V695 V696 S698 W745 R895 M898 | V695-R741 WeakPolarHBondContact CA-O 3.29Å; V696-R741 HydrophobicContact CB-CB 4.33Å; V696-R741 PolarHBondContact N-O 3.13Å; V696-R741 PolarHBondContact O-N 2.81Å; S698-R741 PolarHBondContact OG-NH2 3.07Å; R741-W745 HydrophobicContact CB-CD2 4.17Å; R741-W745 HydrophobicContact CB-CE3 4.22Å; R741-W745 HydrophobicContact CB-CG 4.39Å; R741-W745 HydrophobicContact CG-CD2 3.88Å; R741-W745 HydrophobicContact CG-CE3 3.72Å; R741-W745 HydrophobicContact CG-CH2 4.08Å; R741-W745 HydrophobicContact CG-CZ2 4.2Å; R741-W745 HydrophobicContact CG-CZ3 3.85Å; R741-R895 HydrophobicContact CB-CB 3.93Å; R741-M898 PolarHBondContact NH1-SD 2.84Å; R741-M898 VanDerWaalsContact NH1-SD 3.36Å; R741-M898 PolarHBondContact NH2-SD 3.17Å |
| 742 | G | 76.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -111 | -151.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N744 W745 R895 | G742-N744 PolarHBondContact O-N 3.32Å; G742-N744 VanDerWaalsContact O-N 3.14Å; G742-W745 VanDerWaalsContact O-CB 3.28Å; G742-W745 WeakPolarHBondContact O-CB 3.44Å; G742-W745 PolarHBondContact O-N 3.48Å; G742-R895 PolarHBondContact O-NH1 3.48Å |
| 743 | Q | 69.7 | Low | 73.4 | Confident | 112 Ų | 112 | 66.3 Ų | 66.3 | 52% | 0.523 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.6 | -176.4 | -85.3 | -178.5 | -6.2 | 0 | 0 | 114.7 | E692 W745 | E692-Q743 WeakPolarHBondContact O-CG 3.31Å; Q743-W745 VanDerWaalsContact C-N 3.32Å; Q743-W745 PolarHBondContact O-N 3.12Å |
| 744 | N | 69.4 | Low | 74.5 | Confident | 107 Ų | 107 | 57.1 Ų | 57.1 | 57% | 0.572 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 11.8 | -178 | -68.9 | -38.7 | 0 | 0 | 0 | 113.5 | G742 R746 | G742-N744 PolarHBondContact O-N 3.32Å; G742-N744 VanDerWaalsContact O-N 3.14Å; N744-R746 VanDerWaalsContact O-CG 3.27Å; N744-R746 WeakPolarHBondContact O-CG 3.34Å; N744-R746 PolarHBondContact O-N 3.15Å |
| 745 | W | 73.5 | Confident | 75.4 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 19% | 0.193 | 29% | 0.291 | C | S | . | . | trans | -61.7 | 130.4 | 176.5 | -176 | -115 | 0 | 0 | 0 | 111.3 | A738 R741 G742 Q743 A747 C751 T894 R895 | A738-W745 HydrophobicContact CB-CH2 3.35Å; A738-W745 HydrophobicContact CB-CZ3 3.32Å; R741-W745 HydrophobicContact CB-CD2 4.17Å; R741-W745 HydrophobicContact CB-CE3 4.22Å; R741-W745 HydrophobicContact CB-CG 4.39Å; R741-W745 HydrophobicContact CG-CD2 3.88Å; R741-W745 HydrophobicContact CG-CE3 3.72Å; R741-W745 HydrophobicContact CG-CH2 4.08Å; R741-W745 HydrophobicContact CG-CZ2 4.2Å; R741-W745 HydrophobicContact CG-CZ3 3.85Å; G742-W745 VanDerWaalsContact O-CB 3.28Å; G742-W745 WeakPolarHBondContact O-CB 3.44Å; G742-W745 PolarHBondContact O-N 3.48Å; Q743-W745 VanDerWaalsContact C-N 3.32Å; Q743-W745 PolarHBondContact O-N 3.12Å; W745-A747 HydrophobicContact CD2-CB 4.38Å; W745-A747 HydrophobicContact CH2-CB 3.85Å; W745-A747 HydrophobicContact CZ2-CB 3.25Å; W745-C751 HydrophobicContact CH2-CB 4.2Å; W745-C751 HydrophobicContact CZ2-CB 4.17Å; W745-T894 PolarHBondContact NE1-OG1 2.72Å; W745-R895 HydrophobicContact CB-CB 4.45Å; W745-R895 HydrophobicContact CG-CB 4.14Å | ||
| 746 | R | 68.6 | Low | 76.2 | Confident | 202 Ų | 202 | 54.4 Ų | 54.4 | 76% | 0.762 | 28% | 0.28 | S | S | * | . | trans | -123.8 | 1.3 | -173.8 | -56.1 | -167.4 | -178.4 | 177.6 | 0.6 | 114.8 | N744 | N744-R746 VanDerWaalsContact O-CG 3.27Å; N744-R746 WeakPolarHBondContact O-CG 3.34Å; N744-R746 PolarHBondContact O-N 3.15Å | ||
| 747 | A | 68.8 | Low | 77.2 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 28% | 0.281 | 26% | 0.262 | S | S | . | . | trans | -76.6 | 133 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | W745 L749 T894 | W745-A747 HydrophobicContact CD2-CB 4.38Å; W745-A747 HydrophobicContact CH2-CB 3.85Å; W745-A747 HydrophobicContact CZ2-CB 3.25Å; A747-L749 VanDerWaalsContact C-N 3.32Å; A747-T894 PolarHBondContact O-OG1 3.4Å | ||
| 748 | T | 67.8 | Low | 78 | Confident | 115 Ų | 115 | 52.3 Ų | 52.3 | 71% | 0.706 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -82 | -13.9 | 172.1 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | T894 | T748-T894 WeakPolarHBondContact O-CG2 3.22Š|
| 749 | L | 74.9 | Confident | 79 | Confident | 129 Ų | 129 | 51.4 Ų | 51.4 | 68% | 0.675 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -113.4 | 144.5 | 177.9 | -69 | 169.3 | 0 | 0 | 0 | 110.6 | A747 T894 | A747-L749 VanDerWaalsContact C-N 3.32Å; L749-T894 PolarHBondContact O-OG1 2.48Å |
| 750 | P | 79 | Confident | 79.7 | Confident | 45 Ų | 45 | 52.3 Ų | 52.3 | 29% | 0.292 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 139.8 | 172.2 | -27.8 | 36.4 | 0 | 0 | 0 | 112.8 | L827 S897 | P750-L827 HydrophobicContact CB-CD1 4.08Å; P750-L827 HydrophobicContact CG-CD1 3.85Å; P750-S897 WeakPolarHBondContact CB-O 3.25Å |
| 751 | C | 81.4 | Confident | 80.4 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 146.3 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 110.6 | W745 M898 L899 | W745-C751 HydrophobicContact CH2-CB 4.2Å; W745-C751 HydrophobicContact CZ2-CB 4.17Å; C751-M898 CarbonylContact O-C 3.56Å; C751-M898 WeakPolarHBondContact O-CA 3.35Å; C751-L899 PolarHBondContact O-N 3.34Å |
| 752 | K | 85.5 | Confident | 80.8 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 131.1 | 174.5 | -64.4 | -166 | 178 | -159.9 | 0 | 110.9 | L899 E1021 V1022 | K752-L899 CarbonylContact C-O 3.51Å; K752-L899 VanDerWaalsContact CA-O 3.28Å; K752-L899 WeakPolarHBondContact CA-O 3.14Å; K752-L899 HydrophobicContact CG-CB 4.46Å; K752-L899 HydrophobicContact CG-CD2 4.27Å; K752-E1021 HydrophobicContact CD-CB 4.5Å; K752-E1021 IonicContact NZ-OE2 3.14Å; K752-E1021 PolarHBondContact NZ-OE2 3.37Å; K752-V1022 HydrophobicContact CB-CG2 4.24Å |
| 753 | V | 88 | Confident | 81.5 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.6 | 173.6 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | Q757 V759 M898 L899 V900 A901 | V753-Q757 HydrophobicContact CG1-CB 4.13Å; V753-Q757 HydrophobicContact CG1-CG 4.44Å; V753-V759 HydrophobicContact CG1-CG2 3.93Å; V753-V759 HydrophobicContact CG2-CG2 4.48Å; V753-M898 HydrophobicContact CG2-CB 4.01Å; V753-M898 HydrophobicContact CG2-CG 4.3Å; V753-M898 HydrophobicContact CG2-SD 3.87Å; V753-L899 PolarHBondContact N-O 3.45Å; V753-V900 CarbonylContact O-C 3.46Å; V753-V900 WeakPolarHBondContact O-CA 3.27Å; V753-A901 PolarHBondContact O-N 3.23Å |
| 754 | P | 87.8 | Confident | 82.6 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 148.9 | 175.7 | -26.5 | 36 | 0 | 0 | 0 | 113.2 | Q757 A904 V1022 | P754-Q757 HydrophobicContact CB-CB 4.35Å; P754-Q757 VanDerWaalsContact O-CB 3.26Å; P754-Q757 WeakPolarHBondContact O-CB 3.27Å; P754-Q757 PolarHBondContact O-N 3.19Å; P754-A904 HydrophobicContact CB-CB 3.73Å; P754-A904 HydrophobicContact CG-CB 3.37Å; P754-V1022 HydrophobicContact CG-CB 4.43Å; P754-V1022 HydrophobicContact CG-CG2 4.08Å |
| 755 | V | 89.1 | Confident | 83.7 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 13% | 0.127 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 148.3 | 168.2 | 77.8 | 0 | 0 | 0 | 0 | 110.7 | Q757 R823 V900 A901 E903 | V755-Q757 PolarHBondContact O-N 3.29Å; V755-R823 VanDerWaalsContact CG2-O 3.29Å; V755-R823 WeakPolarHBondContact CG2-O 3.5Å; V755-V900 HydrophobicContact CB-CG1 4.13Å; V755-V900 HydrophobicContact CG2-CG1 4.36Å; V755-A901 PolarHBondContact N-O 2.83Å; V755-E903 HydrophobicContact CG1-CG 3.61Å |
| 756 | N | 87.1 | Confident | 84.7 | Confident | 72 Ų | 72 | 41.6 Ų | 41.6 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 4.7 | -174.1 | -60.5 | -49.8 | 0 | 0 | 0 | 115.9 | P822 R823 | N756-P822 WeakPolarHBondContact CA-O 3.43Å; N756-P822 PolarHBondContact N-O 2.96Å; N756-R823 WeakPolarHBondContact OD1-CD 3.41Å; N756-R823 PolarHBondContact OD1-NH1 3.43Å |
| 757 | Q | 86 | Confident | 85.8 | Confident | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -92.1 | 122 | 178.1 | -173.3 | 167.4 | -26.9 | 0 | 0 | 112.2 | S698 C699 V753 P754 V755 V759 P822 R1025 | S698-Q757 PolarHBondContact O-NE2 3.11Å; C699-Q757 VanDerWaalsContact O-CD 3.28Å; C699-Q757 WeakPolarHBondContact O-CG 3.08Å; C699-Q757 PolarHBondContact O-NE2 3.35Å; V753-Q757 HydrophobicContact CG1-CB 4.13Å; V753-Q757 HydrophobicContact CG1-CG 4.44Å; P754-Q757 HydrophobicContact CB-CB 4.35Å; P754-Q757 VanDerWaalsContact O-CB 3.26Å; P754-Q757 WeakPolarHBondContact O-CB 3.27Å; P754-Q757 PolarHBondContact O-N 3.19Å; V755-Q757 PolarHBondContact O-N 3.29Å; Q757-V759 PolarHBondContact O-N 2.92Å; Q757-P822 WeakPolarHBondContact O-CD 3.37Å; Q757-R1025 VanDerWaalsContact CD-NH2 3.28Å; Q757-R1025 VanDerWaalsContact NE2-NH2 3.16Å |
| 758 | T | 87.3 | Confident | 86.9 | Confident | 32 Ų | 32 | 32 Ų | 32 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 129 | 179.1 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | C699 T819 T821 | C699-T758 PolarHBondContact N-O 2.86Å; T758-T819 HydrophobicContact CG2-CG2 4.02Å; T758-T821 WeakPolarHBondContact CB-OG1 3.42Å; T758-T821 PolarHBondContact OG1-OG1 3.14Å |
| 759 | V | 89.4 | Confident | 88 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 128.5 | 170.9 | -178.1 | 0 | 0 | 0 | 0 | 108 | V696 Y697 V753 Q757 T819 A820 M898 | V696-V759 HydrophobicContact CG1-CG1 3.33Å; Y697-V759 CarbonylContact O-C 3.55Å; Y697-V759 WeakPolarHBondContact O-CA 3.23Å; Y697-V759 WeakPolarHBondContact O-CG1 3.41Å; V753-V759 HydrophobicContact CG1-CG2 3.93Å; V753-V759 HydrophobicContact CG2-CG2 4.48Å; Q757-V759 PolarHBondContact O-N 2.92Å; V759-T819 CarbonylContact O-C 3.58Å; V759-T819 WeakPolarHBondContact O-CA 3.39Å; V759-A820 WeakPolarHBondContact CB-O 3.32Å; V759-A820 PolarHBondContact N-O 2.83Å; V759-A820 PolarHBondContact O-N 2.84Å; V759-M898 HydrophobicContact CB-CE 4.19Å; V759-M898 HydrophobicContact CB-SD 4.23Å; V759-M898 HydrophobicContact CG1-CE 3.79Å; V759-M898 HydrophobicContact CG1-SD 3.68Å; V759-M898 HydrophobicContact CG2-CE 3.92Å; V759-M898 HydrophobicContact CG2-SD 3.61Å |
| 760 | M | 88.9 | Confident | 88.7 | Confident | 22 Ų | 22 | 22.7 Ų | 22.7 | 11% | 0.108 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 133.3 | 175 | -179.5 | 180 | -71.5 | 0 | 0 | 110.4 | V696 Y697 V705 V817 T819 | V696-M760 CarbonylContact C-O 3.58Å; V696-M760 WeakPolarHBondContact CA-O 3.36Å; Y697-M760 PolarHBondContact N-O 3.44Å; Y697-M760 PolarHBondContact O-N 2.84Å; V705-M760 HydrophobicContact CB-CE 4.42Å; V705-M760 HydrophobicContact CB-SD 4.08Å; V705-M760 HydrophobicContact CG1-SD 3.65Å; V705-M760 HydrophobicContact CG2-CE 3.42Å; V705-M760 VanDerWaalsContact CG2-CE 3.42Å; V705-M760 HydrophobicContact CG2-SD 3.44Å; V705-M760 WeakPolarHBondContact CG2-SD 3.28Å; M760-V817 HydrophobicContact CE-CG1 3.95Å; M760-V817 HydrophobicContact CG-CG1 3.48Å; M760-V817 VanDerWaalsContact CG-CG1 3.48Å; M760-V817 HydrophobicContact SD-CG1 3.43Å; M760-V817 WeakPolarHBondContact SD-CG1 3.33Å; M760-T819 HydrophobicContact CB-CG2 4.24Å; M760-T819 HydrophobicContact CE-CG2 4.22Å; M760-T819 HydrophobicContact CG-CG2 4.28Å |
| 761 | V | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 118.8 | 175.4 | -170.8 | 0 | 0 | 0 | 0 | 108.4 | T694 L763 L780 V817 L818 I830 | T694-V761 HydrophobicContact CG2-CG1 3.85Å; V761-L763 HydrophobicContact CG1-CD2 3.76Å; V761-L763 HydrophobicContact CG1-CG 3.98Å; V761-L780 HydrophobicContact CB-CD1 4.15Å; V761-L780 HydrophobicContact CB-CD2 4.12Å; V761-L780 HydrophobicContact CG1-CD2 4.27Å; V761-L780 HydrophobicContact CG2-CD1 3.61Å; V761-L780 HydrophobicContact CG2-CD2 4.07Å; V761-V817 WeakPolarHBondContact O-CA 3.45Å; V761-L818 PolarHBondContact N-O 2.94Å; V761-L818 PolarHBondContact O-N 2.85Å; V761-I830 HydrophobicContact CG2-CD1 3.28Å |
| 762 | K | 89.4 | Confident | 89.8 | Confident | 25 Ų | 25 | 20.5 Ų | 20.5 | 11% | 0.109 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 111.8 | 170.6 | -72.1 | -157.9 | 178 | -165.9 | 0 | 109.1 | V695 Y697 E709 L815 V817 | V695-K762 HydrophobicContact CB-CB 4.29Å; V695-K762 PolarHBondContact N-O 3.33Å; V695-K762 VanDerWaalsContact N-O 3.11Å; V695-K762 PolarHBondContact O-N 2.84Å; Y697-K762 HydrophobicContact CD2-CG 4.34Å; Y697-K762 HydrophobicContact CE2-CD 3.83Å; Y697-K762 HydrophobicContact CE2-CG 4Å; E709-K762 VanDerWaalsContact CD-NZ 3.3Å; E709-K762 IonicContact OE1-NZ 3.41Å; E709-K762 PolarHBondContact OE1-NZ 2.88Å; E709-K762 IonicContact OE2-NZ 3.52Å; K762-L815 HydrophobicContact CB-CD1 4.09Å; K762-L815 HydrophobicContact CD-CD1 4.24Å; K762-L815 HydrophobicContact CD-CD2 4.23Å; K762-V817 HydrophobicContact CG-CG1 4.49Å; K762-V817 HydrophobicContact CG-CG2 4.16Å |
| 763 | L | 91.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.9 | 179.6 | -60.6 | 168.1 | 0 | 0 | 0 | 109.3 | T694 V761 L765 L780 L816 L818 I833 M871 | T694-L763 HydrophobicContact CG2-CD2 4.05Å; V761-L763 HydrophobicContact CG1-CD2 3.76Å; V761-L763 HydrophobicContact CG1-CG 3.98Å; L763-L765 HydrophobicContact CB-CD2 4.32Å; L763-L780 HydrophobicContact CD1-CD2 4.43Å; L763-L816 HydrophobicContact CB-CB 4.32Å; L763-L816 WeakPolarHBondContact CB-O 3.47Å; L763-L816 HydrophobicContact CD1-CD2 4.29Å; L763-L816 PolarHBondContact N-O 3.43Å; L763-L816 PolarHBondContact O-N 3.43Å; L763-L818 HydrophobicContact CD1-CD1 3.87Å; L763-I833 HydrophobicContact CD1-CG2 3.44Å; L763-I833 VanDerWaalsContact CD1-CG2 3.44Å; L763-M871 HydrophobicContact CD2-CE 3.22Å; L763-M871 HydrophobicContact CD2-SD 3.54Å; L763-M871 VanDerWaalsContact CD2-SD 3.54Å |
| 764 | H | 91.8 | Very high | 90.3 | Very high | 36 Ų | 36 | 16.5 Ų | 16.5 | 17% | 0.167 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 120.5 | 172.4 | -73.3 | -92 | 0 | 0 | 0 | 108.7 | L690 Q693 N813 A814 | L690-H764 HydrophobicContact CB-CB 4.08Å; L690-H764 WeakPolarHBondContact CB-O 3.3Å; L690-H764 HydrophobicContact CD1-CB 4.32Å; L690-H764 PolarHBondContact N-O 2.91Å; Q693-H764 HydrophobicContact CB-CB 3.95Å; Q693-H764 PolarHBondContact O-CD2 3.43Å; H764-N813 WeakPolarHBondContact CB-OD1 3.34Å; H764-N813 VanDerWaalsContact CG-OD1 3.28Å; H764-N813 PolarHBondContact ND1-OD1 3.22Å; H764-A814 CarbonylContact C-O 3.53Å |
| 765 | L | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 149.7 | -174.4 | -55 | -179.4 | 0 | 0 | 0 | 110.4 | P687 K688 I689 L763 L775 Y805 L807 N813 A814 L816 | P687-L765 HydrophobicContact CB-CB 4.44Å; P687-L765 HydrophobicContact CG-CD1 4.17Å; P687-L765 HydrophobicContact CG-CD2 4.23Å; K688-L765 CarbonylContact O-C 3.48Å; I689-L765 HydrophobicContact CB-CD2 4.48Å; I689-L765 HydrophobicContact CG1-CD2 3.99Å; I689-L765 HydrophobicContact CG2-CD2 4.5Å; L763-L765 HydrophobicContact CB-CD2 4.32Å; L765-L775 HydrophobicContact CD1-CD1 4.05Å; L765-Y805 HydrophobicContact CD1-CE1 4.41Å; L765-L807 HydrophobicContact CB-CD2 3.9Å; L765-L807 HydrophobicContact CD1-CD1 4.04Å; L765-N813 CarbonylContact O-C 3.47Å; L765-N813 WeakPolarHBondContact O-CA 3.49Å; L765-N813 PolarHBondContact O-N 3.4Å; L765-A814 HydrophobicContact CB-CB 4.48Å; L765-A814 PolarHBondContact N-O 2.89Å; L765-A814 PolarHBondContact O-N 3.31Å; L765-L816 HydrophobicContact CD1-CB 3.59Å; L765-L816 HydrophobicContact CD1-CD2 3.92Å; L765-L816 HydrophobicContact CD1-CG 4.38Å; L765-L816 HydrophobicContact CG-CB 4.19Å |
| 766 | S | 93.1 | Very high | 90.7 | Very high | 26 Ų | 26 | 16.5 Ų | 16.5 | 18% | 0.182 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.8 | 171.8 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | K688 P768 A811 | K688-S766 PolarHBondContact N-O 3.45Å; K688-S766 PolarHBondContact O-N 3.38Å; S766-P768 WeakPolarHBondContact O-CD 3.4Å; S766-A811 WeakPolarHBondContact CA-O 3.37Å; S766-A811 PolarHBondContact OG-O 2.91Å |
| 767 | N | 92.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | trans | -100.3 | 108.1 | 168.8 | 179.5 | 11.5 | 0 | 0 | 0 | 108.8 | L769 I771 I773 L807 P808 M810 A811 | N767-L769 PolarHBondContact O-N 3.28Å; N767-L769 VanDerWaalsContact OD1-CB 3.31Å; N767-L769 WeakPolarHBondContact OD1-CB 3.27Å; N767-L769 WeakPolarHBondContact OD1-CG 3.48Å; N767-L769 PolarHBondContact OD1-N 3.5Å; N767-I771 PolarHBondContact ND2-O 3.5Å; N767-I773 HydrophobicContact CB-CD1 4.16Å; N767-I773 HydrophobicContact CB-CG1 4.43Å; N767-L807 HydrophobicContact CB-CB 4.13Å; N767-L807 HydrophobicContact CB-CD2 3.85Å; N767-P808 PolarHBondContact ND2-O 3.35Å; N767-M810 CarbonylContact O-C 3.59Å; N767-M810 VanDerWaalsContact O-CA 3.3Å; N767-M810 WeakPolarHBondContact O-CA 3.26Å; N767-A811 HydrophobicContact CB-CB 4.26Å; N767-A811 PolarHBondContact N-O 3.2Å | ||
| 768 | P | 90.6 | Very high | 91.2 | Very high | 34 Ų | 34 | 18.1 Ų | 18.1 | 22% | 0.221 | 10% | 0.097 | C | C | . | . | trans | -78.1 | -1.8 | 178.5 | 33.3 | -36.2 | 0 | 0 | 0 | 113.7 | F646 L686 S766 | F646-P768 WeakPolarHBondContact O-CG 3.46Å; L686-P768 HydrophobicContact CD2-CG 3.57Å; S766-P768 WeakPolarHBondContact O-CD 3.4Å | ||
| 769 | L | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -92 | 150.1 | -176.4 | -50.1 | -174.8 | 0 | 0 | 0 | 111.7 | F646 A650 F662 L686 N767 I771 I773 A809 M810 | F646-L769 HydrophobicContact CB-CD2 3.96Å; F646-L769 HydrophobicContact CD1-CD2 3.42Å; F646-L769 VanDerWaalsContact CD1-CD2 3.42Å; F646-L769 HydrophobicContact CE1-CD2 4.19Å; F646-L769 HydrophobicContact CG-CD2 3.88Å; A650-L769 HydrophobicContact CB-CD2 3.59Å; F662-L769 HydrophobicContact CD2-CD1 3.96Å; F662-L769 HydrophobicContact CE2-CD1 4.26Å; F662-L769 HydrophobicContact CG-CD1 4.46Å; L686-L769 HydrophobicContact CD1-CD1 3.96Å; L686-L769 HydrophobicContact CD1-CG 4.48Å; N767-L769 PolarHBondContact O-N 3.28Å; N767-L769 VanDerWaalsContact OD1-CB 3.31Å; N767-L769 WeakPolarHBondContact OD1-CB 3.27Å; N767-L769 WeakPolarHBondContact OD1-CG 3.48Å; N767-L769 PolarHBondContact OD1-N 3.5Å; L769-I771 HydrophobicContact CB-CG1 3.82Å; L769-I771 HydrophobicContact CD1-CD1 4.23Å; L769-I771 HydrophobicContact CD1-CG1 3.99Å; L769-I771 PolarHBondContact O-N 3.3Å; L769-I773 HydrophobicContact CD1-CG2 3.86Å; L769-A809 CarbonylContact O-C 3.56Å; L769-M810 PolarHBondContact O-N 2.85Å |
| 770 | N | 90.3 | Very high | 91.8 | Very high | 49 Ų | 49 | 22.5 Ų | 22.5 | 26% | 0.262 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -77.3 | 12.2 | 169.9 | -65.4 | -38.6 | 0 | 0 | 0 | 112.9 | V655 A809 M810 | V655-N770 HydrophobicContact CG2-CB 4.01Å; N770-A809 VanDerWaalsContact C-CB 3.46Å; N770-A809 WeakPolarHBondContact O-CB 3.4Å; N770-M810 WeakPolarHBondContact OD1-CG 3.49Å; N770-M810 PolarHBondContact OD1-SD 2.95Å; N770-M810 VanDerWaalsContact OD1-SD 3.35Å |
| 771 | I | 90.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -127.4 | 147.2 | 178.1 | 60 | 170.6 | 0 | 0 | 0 | 109.4 | V655 Q658 R659 F662 N767 L769 | V655-I771 HydrophobicContact CG1-CG2 3.58Å; Q658-I771 HydrophobicContact CG-CD1 4.24Å; Q658-I771 HydrophobicContact CG-CG1 4.34Å; R659-I771 HydrophobicContact CG-CB 4.32Å; R659-I771 HydrophobicContact CG-CD1 4.15Å; R659-I771 HydrophobicContact CG-CG2 3.54Å; F662-I771 HydrophobicContact CB-CD1 3.88Å; F662-I771 HydrophobicContact CD1-CD1 4.18Å; F662-I771 HydrophobicContact CG-CD1 4.15Å; N767-I771 PolarHBondContact ND2-O 3.5Å; L769-I771 HydrophobicContact CB-CG1 3.82Å; L769-I771 HydrophobicContact CD1-CD1 4.23Å; L769-I771 HydrophobicContact CD1-CG1 3.99Å; L769-I771 PolarHBondContact O-N 3.3Å |
| 772 | P | 91.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 25.9 Ų | 25.9 | 8% | 0.084 | 13% | 0.13 | C | C | . | . | trans | -66.8 | 148.3 | 173 | 29 | -33.9 | 0 | 0 | 0 | 110.8 | V806 L807 V840 W857 | P772-V806 HydrophobicContact CB-CG1 4.26Å; P772-L807 VanDerWaalsContact CA-O 3.23Å; P772-L807 WeakPolarHBondContact CA-O 3.48Å; P772-V840 HydrophobicContact CB-CB 4.48Å; P772-V840 HydrophobicContact CG-CB 4.41Å; P772-W857 HydrophobicContact CG-CZ3 4.12Å | ||
| 773 | I | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.8 | 175.4 | 61.7 | 179.7 | 0 | 0 | 0 | 110.2 | F662 P687 N767 L769 L807 L837 | F662-I773 HydrophobicContact CE1-CG2 4.15Å; F662-I773 HydrophobicContact CE2-CG2 4.27Å; F662-I773 HydrophobicContact CZ-CB 4.44Å; F662-I773 HydrophobicContact CZ-CG2 3.83Å; P687-I773 HydrophobicContact CB-CD1 4.04Å; N767-I773 HydrophobicContact CB-CD1 4.16Å; N767-I773 HydrophobicContact CB-CG1 4.43Å; L769-I773 HydrophobicContact CD1-CG2 3.86Å; I773-L807 HydrophobicContact CD1-CB 4.39Å; I773-L807 HydrophobicContact CG1-CB 3.73Å; I773-L807 PolarHBondContact N-O 3.32Å; I773-L807 PolarHBondContact O-N 3.01Å; I773-L837 HydrophobicContact CB-CD1 4.46Å |
| 774 | G | 91.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 132.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | C838 | G774-C838 VanDerWaalsContact C-SG 3.57Å; G774-C838 PolarHBondContact N-O 3.38Å; G774-C838 PolarHBondContact O-N 2.8Å; G774-C838 PolarHBondContact O-SG 3.23Å |
| 775 | L | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125 | 168.4 | -47.7 | 176 | 0 | 0 | 0 | 108 | P687 L765 Y805 L807 Y835 C836 L837 | P687-L775 HydrophobicContact CG-CD1 4.05Å; P687-L775 HydrophobicContact CG-CD2 4.26Å; L765-L775 HydrophobicContact CD1-CD1 4.05Å; L775-Y805 HydrophobicContact CD1-CD1 4.07Å; L775-Y805 PolarHBondContact N-O 3.46Å; L775-Y805 PolarHBondContact O-N 3.31Å; L775-L807 HydrophobicContact CD1-CD1 3.48Å; L775-L807 VanDerWaalsContact CD1-CD1 3.48Å; L775-L807 HydrophobicContact CG-CD1 3.97Å; L775-Y835 HydrophobicContact CD2-CD2 3.56Å; L775-Y835 HydrophobicContact CD2-CE2 3.77Å; L775-Y835 HydrophobicContact CD2-CG 4.28Å; L775-C836 WeakPolarHBondContact CA-O 3.24Å; L775-L837 HydrophobicContact CD2-CD1 3.93Å |
| 776 | T | 91.3 | Very high | 92 | Very high | 24 Ų | 24 | 30.9 Ų | 30.9 | 15% | 0.147 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 152.1 | 172.7 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | A778 D803 E804 C836 F859 | T776-A778 PolarHBondContact O-N 2.94Å; T776-D803 CarbonylContact C-O 3.55Å; T776-D803 WeakPolarHBondContact CA-O 3.38Å; T776-D803 VanDerWaalsContact CB-O 3.24Å; T776-D803 WeakPolarHBondContact CB-O 3.38Å; T776-E804 HydrophobicContact CG2-CG 4.25Å; T776-C836 PolarHBondContact N-O 2.99Å; T776-C836 WeakPolarHBondContact O-CB 3.29Å; T776-C836 PolarHBondContact O-N 2.99Å; T776-C836 WeakPolarHBondContact OG1-CB 3.43Å; T776-C836 PolarHBondContact OG1-O 3.14Å; T776-F859 HydrophobicContact CG2-CD1 3.92Å; T776-F859 HydrophobicContact CG2-CE1 4.03Å; T776-F859 HydrophobicContact CG2-CG 4.42Å |
| 777 | Q | 91.1 | Very high | 91.6 | Very high | 114 Ų | 114 | 35.9 Ų | 35.9 | 53% | 0.533 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.9 | 38 | -179.8 | -55.6 | 179.9 | -35.7 | 0 | 0 | 113.6 | R779 V802 D803 | Q777-R779 PolarHBondContact O-N 3.37Å; Q777-V802 CarbonylContact C-O 3.38Å; Q777-V802 WeakPolarHBondContact CA-O 3.22Å; Q777-V802 PolarHBondContact N-O 3.5Å; Q777-D803 PolarHBondContact N-O 3.05Å |
| 778 | A | 93.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 124.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T776 S801 V802 L816 L818 A834 | T776-A778 PolarHBondContact O-N 2.94Å; A778-S801 CarbonylContact O-C 3.56Å; A778-S801 VanDerWaalsContact O-CA 3.29Å; A778-S801 WeakPolarHBondContact O-CA 3.21Å; A778-V802 HydrophobicContact CB-CB 4.39Å; A778-V802 PolarHBondContact N-O 3Å; A778-V802 PolarHBondContact O-N 3.12Å; A778-L816 HydrophobicContact CB-CD2 4.29Å; A778-L818 WeakPolarHBondContact O-CD2 3.23Å; A778-A834 CarbonylContact C-O 3.56Å; A778-A834 WeakPolarHBondContact CA-O 3.49Å |
| 779 | R | 94.4 | Very high | 90.7 | Very high | 119 Ų | 119 | 47.9 Ų | 47.9 | 45% | 0.449 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 156.8 | -178.4 | 65.5 | 179.9 | -175.5 | 173.7 | -0.8 | 112 | Q777 V799 I833 A834 Y866 | Q777-R779 PolarHBondContact O-N 3.37Å; R779-V799 HydrophobicContact CB-CG1 4.25Å; R779-I833 WeakPolarHBondContact O-CA 3.28Å; R779-A834 HydrophobicContact CG-CB 4.31Å; R779-A834 PolarHBondContact N-O 2.95Å; R779-A834 PolarHBondContact O-N 3.01Å; R779-Y866 PolarHBondContact NH2-OH 3.03Å |
| 780 | L | 93.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 142.7 | 173.2 | -65.6 | 163.6 | 0 | 0 | 0 | 110.7 | V761 L763 V782 V799 L818 A820 I830 I833 | V761-L780 HydrophobicContact CB-CD1 4.15Å; V761-L780 HydrophobicContact CB-CD2 4.12Å; V761-L780 HydrophobicContact CG1-CD2 4.27Å; V761-L780 HydrophobicContact CG2-CD1 3.61Å; V761-L780 HydrophobicContact CG2-CD2 4.07Å; L763-L780 HydrophobicContact CD1-CD2 4.43Å; L780-V782 HydrophobicContact CB-CG1 4.31Å; L780-V799 HydrophobicContact CB-CG1 3.75Å; L780-V799 HydrophobicContact CG-CG1 4.45Å; L780-L818 HydrophobicContact CD1-CB 3.77Å; L780-L818 HydrophobicContact CD2-CB 4.09Å; L780-L818 HydrophobicContact CD2-CD1 3.95Å; L780-L818 HydrophobicContact CG-CB 3.61Å; L780-L818 HydrophobicContact CG-CD1 3.88Å; L780-L818 HydrophobicContact CG-CG 4.4Å; L780-A820 HydrophobicContact CD1-CB 4.2Å; L780-I830 HydrophobicContact CD2-CG2 3.94Å; L780-I833 HydrophobicContact CD2-CG2 4.05Å |
| 781 | L | 92.7 | Very high | 89.9 | Confident | 55 Ų | 55 | 55.8 Ų | 55.8 | 29% | 0.288 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 120.3 | 163.9 | -66.8 | 175.8 | 0 | 0 | 0 | 108.2 | V831 G832 A834 | L781-V831 PolarHBondContact O-N 3.06Å; L781-G832 PolarHBondContact N-O 2.84Å; L781-G832 PolarHBondContact O-N 3.14Å; L781-A834 HydrophobicContact CD1-CB 4.17Å; L781-A834 HydrophobicContact CD2-CB 3.84Å; L781-A834 HydrophobicContact CG-CB 3.97Å |
| 782 | V | 93.2 | Very high | 89.3 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 148.1 | -175.6 | -74.8 | 0 | 0 | 0 | 0 | 110.2 | L780 V797 V799 A820 L828 T829 I830 | L780-V782 HydrophobicContact CB-CG1 4.31Å; V782-V797 HydrophobicContact CG2-CB 4.25Å; V782-V797 HydrophobicContact CG2-CG1 3.95Å; V782-V799 HydrophobicContact CG2-CG2 3.64Å; V782-A820 HydrophobicContact CG1-CB 4.31Å; V782-L828 HydrophobicContact CB-CD1 4Å; V782-L828 HydrophobicContact CG1-CD1 4.2Å; V782-T829 CarbonylContact C-O 3.51Å; V782-T829 WeakPolarHBondContact CA-O 3.47Å; V782-I830 HydrophobicContact CG1-CG1 4.2Å |
| 783 | T | 91.4 | Very high | 88.9 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 48% | 0.479 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.8 | 170.8 | 40 | 0 | 0 | 0 | 0 | 108.1 | L828 T829 V831 | T783-L828 CarbonylContact O-C 3.56Å; T783-L828 WeakPolarHBondContact O-CA 3.47Å; T783-T829 PolarHBondContact N-O 3.49Å; T783-T829 PolarHBondContact O-N 3.19Å; T783-T829 PolarHBondContact OG1-O 2.89Å; T783-V831 HydrophobicContact CG2-CG2 3.8Å; T783-V831 VanDerWaalsContact OG1-CG2 3.24Å; T783-V831 WeakPolarHBondContact OG1-CG2 3.33Å |
| 784 | L | 91.5 | Very high | 88.2 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.3 | 172.2 | -175.5 | 73 | 0 | 0 | 0 | 107.9 | P786 P792 D796 V797 K824 L827 L828 V900 | L784-P786 WeakPolarHBondContact O-CD 3.5Å; L784-P792 WeakPolarHBondContact O-CB 3.46Å; L784-D796 HydrophobicContact CD2-CB 3.57Å; L784-V797 HydrophobicContact CB-CG2 3.91Å; L784-V797 HydrophobicContact CD2-CG2 4.05Å; L784-V797 HydrophobicContact CG-CG2 4.39Å; L784-K824 HydrophobicContact CD2-CB 4.12Å; L784-L827 WeakPolarHBondContact CA-O 3.49Å; L784-L828 HydrophobicContact CD1-CB 3.94Å; L784-V900 HydrophobicContact CD1-CG2 4.22Å |
| 785 | S | 91.4 | Very high | 87.9 | Confident | 61 Ų | 61 | 79.8 Ų | 79.8 | 43% | 0.427 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 101.2 | 167.5 | 38.3 | 0 | 0 | 0 | 0 | 107.9 | G826 L827 | S785-G826 CarbonylContact O-C 3.58Å; S785-G826 WeakPolarHBondContact O-CA 3.31Å; S785-L827 PolarHBondContact N-O 3.32Å; S785-L827 PolarHBondContact O-N 3.37Å; S785-L827 WeakPolarHBondContact OG-CB 3.28Å; S785-L827 PolarHBondContact OG-O 2.87Å; S785-L827 VanDerWaalsContact OG-O 3.14Å |
| 786 | P | 88.9 | Confident | 87.7 | Confident | 10 Ų | 10 | 80.6 Ų | 80.6 | 7% | 0.065 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 145.2 | -176.3 | -25.4 | 37.7 | 0 | 0 | 0 | 111.3 | L784 D788 D789 S790 P792 K824 Q825 | L784-P786 WeakPolarHBondContact O-CD 3.5Å; P786-D788 PolarHBondContact O-N 2.93Å; P786-D789 PolarHBondContact O-N 3.22Å; P786-S790 WeakPolarHBondContact CB-OG 3.14Å; P786-S790 VanDerWaalsContact CG-O 3.27Å; P786-S790 WeakPolarHBondContact CG-O 3.37Å; P786-P792 HydrophobicContact CG-CB 4.39Å; P786-K824 HydrophobicContact CB-CD 4.43Å; P786-Q825 WeakPolarHBondContact CA-O 3.46Å |
| 787 | H | 86 | Confident | 87.7 | Confident | 131 Ų | 131 | 80.2 Ų | 80.2 | 61% | 0.606 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.6 | 178.8 | -167.6 | -25.3 | 0 | 0 | 0 | 112 | D789 Q825 | H787-D789 PolarHBondContact O-N 3.22Å; H787-Q825 PolarHBondContact N-O 2.8Å |
| 788 | D | 85.6 | Confident | 87.7 | Confident | 130 Ų | 130 | 80 Ų | 80 | 70% | 0.695 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 12.6 | -175.6 | -52.5 | -26.9 | 0 | 0 | 0 | 113.5 | P786 S790 | P786-D788 PolarHBondContact O-N 2.93Å; D788-S790 PolarHBondContact O-N 3.19Å |
| 789 | D | 78.1 | Confident | 87.7 | Confident | 157 Ų | 157 | 82.2 Ų | 82.2 | 84% | 0.84 | 43% | 0.431 | S | S | * | . | trans | 55 | 12 | -174.9 | -65 | -38.2 | 0 | 0 | 0 | 115.3 | P786 H787 | P786-D789 PolarHBondContact O-N 3.22Å; H787-D789 PolarHBondContact O-N 3.22Å | ||
| 790 | S | 84.8 | Confident | 87.5 | Confident | 41 Ų | 41 | 78.4 Ų | 78.4 | 29% | 0.287 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 150.8 | 173 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | P786 D788 K824 | P786-S790 WeakPolarHBondContact CB-OG 3.14Å; P786-S790 VanDerWaalsContact CG-O 3.27Å; P786-S790 WeakPolarHBondContact CG-O 3.37Å; D788-S790 PolarHBondContact O-N 3.19Å; S790-K824 PolarHBondContact OG-NZ 2.92Å |
| 791 | E | 81.1 | Confident | 87.3 | Confident | 174 Ų | 174 | 81.6 Ų | 81.6 | 81% | 0.813 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 133.7 | 174 | -72.6 | -166.8 | 163 | 0 | 0 | 111.6 | ||
| 792 | P | 78 | Confident | 87.1 | Confident | 83 Ų | 83 | 80.8 Ų | 80.8 | 54% | 0.539 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 135.2 | 178.4 | 27.4 | -32.1 | 0 | 0 | 0 | 111 | L784 P786 | L784-P792 WeakPolarHBondContact O-CB 3.46Å; P786-P792 HydrophobicContact CG-CB 4.39Å |
| 793 | K | 83.8 | Confident | 86.9 | Confident | 149 Ų | 149 | 84.2 Ų | 84.2 | 65% | 0.648 | 46% | 0.459 | S | S | * | . | trans | -105 | 151.8 | 175.3 | -61.5 | 179.6 | -179.3 | 179.6 | 0 | 110.4 | D795 D796 | K793-D795 PolarHBondContact O-N 3.48Å; K793-D796 PolarHBondContact N-OD2 3.24Å; K793-D796 VanDerWaalsContact O-CB 3.23Å; K793-D796 WeakPolarHBondContact O-CB 3.29Å; K793-D796 PolarHBondContact O-N 2.95Å | ||
| 794 | D | 76.6 | Confident | 86.8 | Confident | 159 Ų | 159 | 86.2 Ų | 86.2 | 85% | 0.85 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -56.9 | -35.3 | 176 | -89.6 | -6.1 | 0 | 0 | 0 | 112.2 | D796 V797 | D794-D796 PolarHBondContact O-N 2.84Å; D794-V797 PolarHBondContact O-N 3.02Å |
| 795 | D | 85.4 | Confident | 86.8 | Confident | 129 Ų | 129 | 87.9 Ų | 87.9 | 69% | 0.69 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -71.1 | -12.3 | 177.8 | -65 | -28.2 | 0 | 0 | 0 | 113.7 | K793 V797 R823 | K793-D795 PolarHBondContact O-N 3.48Å; D795-V797 PolarHBondContact O-N 2.58Å; D795-R823 WeakPolarHBondContact O-CG 3.16Å |
| 796 | D | 90 | Very high | 86.8 | Confident | 18 Ų | 18 | 86.8 Ų | 86.8 | 10% | 0.096 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -70.2 | -18.7 | 179.4 | -66.8 | -25.1 | 0 | 0 | 0 | 111.9 | L784 K793 D794 R823 K824 | L784-D796 HydrophobicContact CD2-CB 3.57Å; K793-D796 PolarHBondContact N-OD2 3.24Å; K793-D796 VanDerWaalsContact O-CB 3.23Å; K793-D796 WeakPolarHBondContact O-CB 3.29Å; K793-D796 PolarHBondContact O-N 2.95Å; D794-D796 PolarHBondContact O-N 2.84Å; D796-R823 PolarHBondContact O-N 3.4Å; D796-K824 HydrophobicContact CB-CB 4.15Å; D796-K824 WeakPolarHBondContact OD1-CD 3.47Å |
| 797 | V | 90.7 | Very high | 86.8 | Confident | 16 Ų | 16 | 86.3 Ų | 86.3 | 10% | 0.097 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 113.7 | 174.2 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | V782 L784 D794 D795 V799 A820 L828 | V782-V797 HydrophobicContact CG2-CB 4.25Å; V782-V797 HydrophobicContact CG2-CG1 3.95Å; L784-V797 HydrophobicContact CB-CG2 3.91Å; L784-V797 HydrophobicContact CD2-CG2 4.05Å; L784-V797 HydrophobicContact CG-CG2 4.39Å; D794-V797 PolarHBondContact O-N 3.02Å; D795-V797 PolarHBondContact O-N 2.58Å; V797-V799 HydrophobicContact CG1-CG2 4.21Å; V797-A820 HydrophobicContact CG1-CB 4.19Å; V797-L828 HydrophobicContact CG1-CD1 4.17Å; V797-L828 HydrophobicContact CG2-CD1 3.92Å |
| 798 | M | 92.1 | Very high | 87.1 | Confident | 108 Ų | 108 | 83.8 Ų | 83.8 | 53% | 0.532 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 119 | 174.1 | -79.3 | -80.6 | -74 | 0 | 0 | 110.7 | A820 T821 R823 | M798-A820 CarbonylContact O-C 3.59Å; M798-A820 WeakPolarHBondContact O-CA 3.32Å; M798-T821 PolarHBondContact N-O 3.26Å; M798-T821 PolarHBondContact O-N 2.84Å; M798-R823 HydrophobicContact CG-CG 4.47Å |
| 799 | V | 92.1 | Very high | 87.2 | Confident | 49 Ų | 49 | 79.8 Ų | 79.8 | 30% | 0.297 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 135.2 | -179.5 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | R779 L780 V782 V797 T819 A820 | R779-V799 HydrophobicContact CB-CG1 4.25Å; L780-V799 HydrophobicContact CB-CG1 3.75Å; L780-V799 HydrophobicContact CG-CG1 4.45Å; V782-V799 HydrophobicContact CG2-CG2 3.64Å; V797-V799 HydrophobicContact CG1-CG2 4.21Å; V799-T819 WeakPolarHBondContact CA-O 3.45Å; V799-A820 HydrophobicContact CG2-CB 4.46Å |
| 800 | S | 90.2 | Very high | 87.7 | Confident | 39 Ų | 39 | 76.9 Ų | 76.9 | 27% | 0.273 | 42% | 0.418 | S | S | . | . | trans | -76 | 143.4 | 173.3 | 63.1 | 0 | 0 | 0 | 0 | 111.9 | T819 | S800-T819 WeakPolarHBondContact CB-OG1 3.26Å; S800-T819 PolarHBondContact N-O 2.84Å; S800-T819 PolarHBondContact OG-N 3.45Å; S800-T819 PolarHBondContact OG-O 2.84Å; S800-T819 PolarHBondContact OG-OG1 2.77Å | ||
| 801 | S | 89.1 | Confident | 88 | Confident | 71 Ų | 71 | 75.7 Ų | 75.7 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 143.6 | 167.2 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | A778 | A778-S801 CarbonylContact O-C 3.56Å; A778-S801 VanDerWaalsContact O-CA 3.29Å; A778-S801 WeakPolarHBondContact O-CA 3.21Å |
| 802 | V | 89.7 | Confident | 88.2 | Confident | 38 Ų | 38 | 72.2 Ų | 72.2 | 23% | 0.23 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.7 | 163.8 | 173.1 | 0 | 0 | 0 | 0 | 107.1 | Q777 A778 L816 L818 | Q777-V802 CarbonylContact C-O 3.38Å; Q777-V802 WeakPolarHBondContact CA-O 3.22Å; Q777-V802 PolarHBondContact N-O 3.5Å; A778-V802 HydrophobicContact CB-CB 4.39Å; A778-V802 PolarHBondContact N-O 3Å; A778-V802 PolarHBondContact O-N 3.12Å; V802-L816 HydrophobicContact CB-CD1 4.34Å; V802-L816 HydrophobicContact CG1-CD1 4.36Å; V802-L816 HydrophobicContact CG2-CD1 4.12Å; V802-L818 HydrophobicContact CB-CD2 4.4Å; V802-L818 HydrophobicContact CG2-CD2 3.73Å |
| 803 | D | 88.1 | Confident | 88.7 | Confident | 111 Ų | 111 | 72 Ų | 72 | 59% | 0.594 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | -40.4 | -172.1 | -67.6 | -29.9 | 0 | 0 | 0 | 112.2 | T776 Q777 | T776-D803 CarbonylContact C-O 3.55Å; T776-D803 WeakPolarHBondContact CA-O 3.38Å; T776-D803 VanDerWaalsContact CB-O 3.24Å; T776-D803 WeakPolarHBondContact CB-O 3.38Å; Q777-D803 PolarHBondContact N-O 3.05Å |
| 804 | E | 89.2 | Confident | 89.1 | Confident | 120 Ų | 120 | 65.7 Ų | 65.7 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 128.7 | -179.1 | -66.7 | -172.2 | 171.1 | 0 | 0 | 111.1 | T776 F859 | T776-E804 HydrophobicContact CG2-CG 4.25Å; E804-F859 HydrophobicContact CB-CE2 3.7Å; E804-F859 HydrophobicContact CB-CZ 3.77Å; E804-F859 VanDerWaalsContact CD-CE2 3.48Å; E804-F859 HydrophobicContact CG-CD2 4.17Å; E804-F859 HydrophobicContact CG-CE2 3.79Å; E804-F859 HydrophobicContact CG-CZ 4.17Å; E804-F859 VanDerWaalsContact OE2-CE2 3.27Å; E804-F859 WeakPolarHBondContact OE2-CE2 3.41Å |
| 805 | Y | 91.3 | Very high | 89.7 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 116 | 176.3 | -171.3 | -87.5 | 0 | 0 | 0 | 110.1 | L765 L775 L807 L815 L816 | L765-Y805 HydrophobicContact CD1-CE1 4.41Å; L775-Y805 HydrophobicContact CD1-CD1 4.07Å; L775-Y805 PolarHBondContact N-O 3.46Å; L775-Y805 PolarHBondContact O-N 3.31Å; Y805-L807 HydrophobicContact CD1-CD1 3.56Å; Y805-L807 HydrophobicContact CD1-CG 4.4Å; Y805-L807 HydrophobicContact CE1-CD1 3.43Å; Y805-L807 VanDerWaalsContact CE1-CD1 3.43Å; Y805-L807 HydrophobicContact CE1-CG 3.89Å; Y805-L815 WeakPolarHBondContact CE2-O 3.07Å; Y805-L815 PolarHBondContact OH-N 3.22Å; Y805-L815 PolarHBondContact OH-O 2.79Å; Y805-L816 HydrophobicContact CD2-CD1 3.83Å; Y805-L816 HydrophobicContact CE2-CD1 4.11Å; Y805-L816 HydrophobicContact CG-CD1 4.07Å |
| 806 | V | 91.3 | Very high | 90 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 120.7 | 177.2 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | P772 P808 V840 W857 F859 | P772-V806 HydrophobicContact CB-CG1 4.26Å; V806-P808 WeakPolarHBondContact O-CD 3.49Å; V806-V840 HydrophobicContact CG1-CG1 4.21Å; V806-V840 HydrophobicContact CG2-CG1 4.27Å; V806-W857 HydrophobicContact CG1-CG 4.35Å; V806-W857 HydrophobicContact CG2-CB 4.08Å; V806-W857 HydrophobicContact CG2-CG 4.26Å; V806-F859 HydrophobicContact CG2-CE1 4.03Å; V806-F859 HydrophobicContact CG2-CE2 4.09Å; V806-F859 HydrophobicContact CG2-CZ 3.42Å; V806-F859 VanDerWaalsContact CG2-CZ 3.42Å |
| 807 | L | 90.6 | Very high | 90 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 119.9 | 164.1 | -89.9 | 95 | 0 | 0 | 0 | 109.4 | P687 L765 N767 P772 I773 L775 Y805 A814 | P687-L807 HydrophobicContact CB-CD1 4.5Å; P687-L807 HydrophobicContact CB-CD2 3.94Å; P687-L807 HydrophobicContact CG-CD1 4.46Å; L765-L807 HydrophobicContact CB-CD2 3.9Å; L765-L807 HydrophobicContact CD1-CD1 4.04Å; N767-L807 HydrophobicContact CB-CB 4.13Å; N767-L807 HydrophobicContact CB-CD2 3.85Å; P772-L807 VanDerWaalsContact CA-O 3.23Å; P772-L807 WeakPolarHBondContact CA-O 3.48Å; I773-L807 HydrophobicContact CD1-CB 4.39Å; I773-L807 HydrophobicContact CG1-CB 3.73Å; I773-L807 PolarHBondContact N-O 3.32Å; I773-L807 PolarHBondContact O-N 3.01Å; L775-L807 HydrophobicContact CD1-CD1 3.48Å; L775-L807 VanDerWaalsContact CD1-CD1 3.48Å; L775-L807 HydrophobicContact CG-CD1 3.97Å; Y805-L807 HydrophobicContact CD1-CD1 3.56Å; Y805-L807 HydrophobicContact CD1-CG 4.4Å; Y805-L807 HydrophobicContact CE1-CD1 3.43Å; Y805-L807 VanDerWaalsContact CE1-CD1 3.43Å; Y805-L807 HydrophobicContact CE1-CG 3.89Å; L807-A814 HydrophobicContact CD2-CB 4.19Å; L807-A814 HydrophobicContact CG-CB 4.3Å |
| 808 | P | 90.7 | Very high | 90.1 | Very high | 78 Ų | 78 | 56.1 Ų | 56.1 | 51% | 0.506 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 160.1 | 173.5 | -23.4 | 33.5 | 0 | 0 | 0 | 113 | N767 V806 M810 A811 | N767-P808 PolarHBondContact ND2-O 3.35Å; V806-P808 WeakPolarHBondContact O-CD 3.49Å; P808-M810 PolarHBondContact O-N 3.38Å; P808-A811 HydrophobicContact CB-CB 4.33Å; P808-A811 VanDerWaalsContact O-CB 3.27Å; P808-A811 WeakPolarHBondContact O-CB 3.37Å; P808-A811 PolarHBondContact O-N 3.22Å |
| 809 | A | 89.4 | Confident | 90 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 37% | 0.372 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 136.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L769 N770 A811 | L769-A809 CarbonylContact O-C 3.56Å; N770-A809 VanDerWaalsContact C-CB 3.46Å; N770-A809 WeakPolarHBondContact O-CB 3.4Å; A809-A811 PolarHBondContact O-N 2.85Å |
| 810 | M | 88.6 | Confident | 90 | Very high | 96 Ų | 96 | 50.1 Ų | 50.1 | 47% | 0.473 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 24.5 | 179.2 | -64 | -63.5 | -71.9 | 0 | 0 | 114.1 | N767 L769 N770 P808 S812 | N767-M810 CarbonylContact O-C 3.59Å; N767-M810 VanDerWaalsContact O-CA 3.3Å; N767-M810 WeakPolarHBondContact O-CA 3.26Å; L769-M810 PolarHBondContact O-N 2.85Å; N770-M810 WeakPolarHBondContact OD1-CG 3.49Å; N770-M810 PolarHBondContact OD1-SD 2.95Å; N770-M810 VanDerWaalsContact OD1-SD 3.35Å; P808-M810 PolarHBondContact O-N 3.38Å; M810-S812 PolarHBondContact O-N 3.06Å; M810-S812 VanDerWaalsContact O-N 3.1Å |
| 811 | A | 90 | Very high | 90.1 | Very high | 16 Ų | 16 | 49 Ų | 49 | 13% | 0.132 | 29% | 0.287 | C | S | . | . | trans | -60 | 118.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S766 N767 P808 A809 A814 | S766-A811 WeakPolarHBondContact CA-O 3.37Å; S766-A811 PolarHBondContact OG-O 2.91Å; N767-A811 HydrophobicContact CB-CB 4.26Å; N767-A811 PolarHBondContact N-O 3.2Å; P808-A811 HydrophobicContact CB-CB 4.33Å; P808-A811 VanDerWaalsContact O-CB 3.27Å; P808-A811 WeakPolarHBondContact O-CB 3.37Å; P808-A811 PolarHBondContact O-N 3.22Å; A809-A811 PolarHBondContact O-N 2.85Å; A811-A814 HydrophobicContact CB-CB 4.39Å | ||
| 812 | S | 86.5 | Confident | 90.2 | Very high | 102 Ų | 102 | 45.6 Ų | 45.6 | 71% | 0.713 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -101.5 | 124.6 | 169.4 | 57.1 | 0 | 0 | 0 | 0 | 107.9 | M810 | M810-S812 PolarHBondContact O-N 3.06Å; M810-S812 VanDerWaalsContact O-N 3.1Å |
| 813 | N | 87.2 | Confident | 90.3 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 68.4 | 36.7 | 172.5 | -152.7 | 32.6 | 0 | 0 | 0 | 116.2 | Q693 H764 L765 | Q693-N813 PolarHBondContact OE1-OD1 3.24Å; H764-N813 WeakPolarHBondContact CB-OD1 3.34Å; H764-N813 VanDerWaalsContact CG-OD1 3.28Å; H764-N813 PolarHBondContact ND1-OD1 3.22Å; L765-N813 CarbonylContact O-C 3.47Å; L765-N813 WeakPolarHBondContact O-CA 3.49Å; L765-N813 PolarHBondContact O-N 3.4Å |
| 814 | A | 91.7 | Very high | 90.4 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 140.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | H764 L765 L807 A811 | H764-A814 CarbonylContact C-O 3.53Å; L765-A814 HydrophobicContact CB-CB 4.48Å; L765-A814 PolarHBondContact N-O 2.89Å; L765-A814 PolarHBondContact O-N 3.31Å; L807-A814 HydrophobicContact CD2-CB 4.19Å; L807-A814 HydrophobicContact CG-CB 4.3Å; A811-A814 HydrophobicContact CB-CB 4.39Å |
| 815 | L | 90.1 | Very high | 90.5 | Very high | 67 Ų | 67 | 45 Ų | 45 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.6 | -174 | -169.5 | 75.9 | 0 | 0 | 0 | 111.5 | K762 Y805 V817 | K762-L815 HydrophobicContact CB-CD1 4.09Å; K762-L815 HydrophobicContact CD-CD1 4.24Å; K762-L815 HydrophobicContact CD-CD2 4.23Å; Y805-L815 WeakPolarHBondContact CE2-O 3.07Å; Y805-L815 PolarHBondContact OH-N 3.22Å; Y805-L815 PolarHBondContact OH-O 2.79Å; L815-V817 HydrophobicContact CD2-CG2 3.92Å; L815-V817 HydrophobicContact CG-CG2 4.06Å |
| 816 | L | 91.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126 | 168.7 | 179.2 | 67.4 | 0 | 0 | 0 | 109.3 | L763 L765 A778 V802 Y805 L818 | L763-L816 HydrophobicContact CB-CB 4.32Å; L763-L816 WeakPolarHBondContact CB-O 3.47Å; L763-L816 HydrophobicContact CD1-CD2 4.29Å; L763-L816 PolarHBondContact N-O 3.43Å; L763-L816 PolarHBondContact O-N 3.43Å; L765-L816 HydrophobicContact CD1-CB 3.59Å; L765-L816 HydrophobicContact CD1-CD2 3.92Å; L765-L816 HydrophobicContact CD1-CG 4.38Å; L765-L816 HydrophobicContact CG-CB 4.19Å; A778-L816 HydrophobicContact CB-CD2 4.29Å; V802-L816 HydrophobicContact CB-CD1 4.34Å; V802-L816 HydrophobicContact CG1-CD1 4.36Å; V802-L816 HydrophobicContact CG2-CD1 4.12Å; Y805-L816 HydrophobicContact CD2-CD1 3.83Å; Y805-L816 HydrophobicContact CE2-CD1 4.11Å; Y805-L816 HydrophobicContact CG-CD1 4.07Å; L816-L818 HydrophobicContact CD2-CD1 4.18Å; L816-L818 HydrophobicContact CD2-CG 4.48Å; L816-L818 HydrophobicContact CG-CD1 4.49Å; L816-L818 HydrophobicContact CG-CG 4.28Å |
| 817 | V | 90.1 | Very high | 90.7 | Very high | 53 Ų | 53 | 43.8 Ų | 43.8 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.2 | -178.3 | -174 | 0 | 0 | 0 | 0 | 109.2 | M760 V761 K762 L815 | M760-V817 HydrophobicContact CE-CG1 3.95Å; M760-V817 HydrophobicContact CG-CG1 3.48Å; M760-V817 VanDerWaalsContact CG-CG1 3.48Å; M760-V817 HydrophobicContact SD-CG1 3.43Å; M760-V817 WeakPolarHBondContact SD-CG1 3.33Å; V761-V817 WeakPolarHBondContact O-CA 3.45Å; K762-V817 HydrophobicContact CG-CG1 4.49Å; K762-V817 HydrophobicContact CG-CG2 4.16Å; L815-V817 HydrophobicContact CD2-CG2 3.92Å; L815-V817 HydrophobicContact CG-CG2 4.06Å |
| 818 | L | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 158.2 | 177.7 | -62.7 | 171.1 | 0 | 0 | 0 | 109.8 | V761 L763 A778 L780 V802 L816 I833 | V761-L818 PolarHBondContact N-O 2.94Å; V761-L818 PolarHBondContact O-N 2.85Å; L763-L818 HydrophobicContact CD1-CD1 3.87Å; A778-L818 WeakPolarHBondContact O-CD2 3.23Å; L780-L818 HydrophobicContact CD1-CB 3.77Å; L780-L818 HydrophobicContact CD2-CB 4.09Å; L780-L818 HydrophobicContact CD2-CD1 3.95Å; L780-L818 HydrophobicContact CG-CB 3.61Å; L780-L818 HydrophobicContact CG-CD1 3.88Å; L780-L818 HydrophobicContact CG-CG 4.4Å; V802-L818 HydrophobicContact CB-CD2 4.4Å; V802-L818 HydrophobicContact CG2-CD2 3.73Å; L816-L818 HydrophobicContact CD2-CD1 4.18Å; L816-L818 HydrophobicContact CD2-CG 4.48Å; L816-L818 HydrophobicContact CG-CD1 4.49Å; L816-L818 HydrophobicContact CG-CG 4.28Å; L818-I833 HydrophobicContact CD1-CG2 3.98Å |
| 819 | T | 91.5 | Very high | 90.9 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.8 | -177.3 | 65.5 | 0 | 0 | 0 | 0 | 112.1 | T758 V759 M760 V799 S800 | T758-T819 HydrophobicContact CG2-CG2 4.02Å; V759-T819 CarbonylContact O-C 3.58Å; V759-T819 WeakPolarHBondContact O-CA 3.39Å; M760-T819 HydrophobicContact CB-CG2 4.24Å; M760-T819 HydrophobicContact CE-CG2 4.22Å; M760-T819 HydrophobicContact CG-CG2 4.28Å; V799-T819 WeakPolarHBondContact CA-O 3.45Å; S800-T819 WeakPolarHBondContact CB-OG1 3.26Å; S800-T819 PolarHBondContact N-O 2.84Å; S800-T819 PolarHBondContact OG-N 3.45Å; S800-T819 PolarHBondContact OG-O 2.84Å; S800-T819 PolarHBondContact OG-OG1 2.77Å |
| 820 | A | 91.8 | Very high | 91 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 129.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V759 L780 V782 V797 M798 V799 | V759-A820 WeakPolarHBondContact CB-O 3.32Å; V759-A820 PolarHBondContact N-O 2.83Å; V759-A820 PolarHBondContact O-N 2.84Å; L780-A820 HydrophobicContact CD1-CB 4.2Å; V782-A820 HydrophobicContact CG1-CB 4.31Å; V797-A820 HydrophobicContact CG1-CB 4.19Å; M798-A820 CarbonylContact O-C 3.59Å; M798-A820 WeakPolarHBondContact O-CA 3.32Å; V799-A820 HydrophobicContact CG2-CB 4.46Å |
| 821 | T | 91.6 | Very high | 91.2 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 106.6 | -179.2 | -53.3 | 0 | 0 | 0 | 0 | 109 | T758 M798 | T758-T821 WeakPolarHBondContact CB-OG1 3.42Å; T758-T821 PolarHBondContact OG1-OG1 3.14Å; M798-T821 PolarHBondContact N-O 3.26Å; M798-T821 PolarHBondContact O-N 2.84Å |
| 822 | P | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 131.6 | 178.3 | 30 | -30.7 | 0 | 0 | 0 | 110.4 | N756 Q757 L828 V900 | N756-P822 WeakPolarHBondContact CA-O 3.43Å; N756-P822 PolarHBondContact N-O 2.96Å; Q757-P822 WeakPolarHBondContact O-CD 3.37Å; P822-L828 HydrophobicContact CB-CD2 4.18Å; P822-L828 HydrophobicContact CG-CD2 4.25Å; P822-V900 HydrophobicContact CB-CB 4.39Å; P822-V900 HydrophobicContact CB-CG1 3.84Å; P822-V900 HydrophobicContact CB-CG2 3.66Å; P822-V900 HydrophobicContact CG-CG1 3.88Å; P822-V900 HydrophobicContact CG-CG2 3.87Å |
| 823 | R | 91.1 | Very high | 91.7 | Very high | 127 Ų | 127 | 32.6 Ų | 32.6 | 48% | 0.479 | 17% | 0.169 | S | C | . | . | trans | -100.5 | -8 | 177 | -61.8 | -59.5 | -168.7 | 178.3 | 0.1 | 113 | V755 N756 D795 D796 M798 | V755-R823 VanDerWaalsContact CG2-O 3.29Å; V755-R823 WeakPolarHBondContact CG2-O 3.5Å; N756-R823 WeakPolarHBondContact OD1-CD 3.41Å; N756-R823 PolarHBondContact OD1-NH1 3.43Å; D795-R823 WeakPolarHBondContact O-CG 3.16Å; D796-R823 PolarHBondContact O-N 3.4Å; M798-R823 HydrophobicContact CG-CG 4.47Å | ||
| 824 | K | 90.4 | Very high | 92.1 | Very high | 54 Ų | 54 | 29 Ų | 29 | 24% | 0.235 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -139 | 148.1 | -177.1 | -164.6 | 176.4 | -175.4 | -175.9 | 0 | 111.9 | L784 P786 S790 D796 V900 | L784-K824 HydrophobicContact CD2-CB 4.12Å; P786-K824 HydrophobicContact CB-CD 4.43Å; S790-K824 PolarHBondContact OG-NZ 2.92Å; D796-K824 HydrophobicContact CB-CB 4.15Å; D796-K824 WeakPolarHBondContact OD1-CD 3.47Å; K824-V900 VanDerWaalsContact O-CG1 3.31Å; K824-V900 WeakPolarHBondContact O-CG1 3.21Å |
| 825 | Q | 91.6 | Very high | 92.2 | Very high | 75 Ų | 75 | 28.1 Ų | 28.1 | 35% | 0.35 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -71.1 | 147.2 | 177.8 | -63.8 | -175.2 | 32.4 | 0 | 0 | 111.8 | P786 H787 V900 | P786-Q825 WeakPolarHBondContact CA-O 3.46Å; H787-Q825 PolarHBondContact N-O 2.8Å; Q825-V900 WeakPolarHBondContact CA-O 3.48Å; Q825-V900 WeakPolarHBondContact CB-O 3.47Å |
| 826 | G | 92.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.4 | -172 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S785 V900 | S785-G826 CarbonylContact O-C 3.58Å; S785-G826 WeakPolarHBondContact O-CA 3.31Å; G826-V900 PolarHBondContact N-O 2.75Å; G826-V900 VanDerWaalsContact N-O 3.15Å; G826-V900 WeakPolarHBondContact O-CA 3.49Å; G826-V900 WeakPolarHBondContact O-CB 3.4Å; G826-V900 PolarHBondContact O-N 3.31Å |
| 827 | L | 92.9 | Very high | 92.5 | Very high | 60 Ų | 60 | 25.5 Ų | 25.5 | 31% | 0.314 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 112 | 173.9 | 172.9 | 74.7 | 0 | 0 | 0 | 109.7 | P750 L784 S785 | P750-L827 HydrophobicContact CB-CD1 4.08Å; P750-L827 HydrophobicContact CG-CD1 3.85Å; L784-L827 WeakPolarHBondContact CA-O 3.49Å; S785-L827 PolarHBondContact N-O 3.32Å; S785-L827 PolarHBondContact O-N 3.37Å; S785-L827 WeakPolarHBondContact OG-CB 3.28Å; S785-L827 PolarHBondContact OG-O 2.87Å; S785-L827 VanDerWaalsContact OG-O 3.14Å |
| 828 | L | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 122.9 | 175.2 | 174.2 | 64.8 | 0 | 0 | 0 | 109.8 | V782 T783 L784 V797 P822 S897 M898 V900 | V782-L828 HydrophobicContact CB-CD1 4Å; V782-L828 HydrophobicContact CG1-CD1 4.2Å; T783-L828 CarbonylContact O-C 3.56Å; T783-L828 WeakPolarHBondContact O-CA 3.47Å; L784-L828 HydrophobicContact CD1-CB 3.94Å; V797-L828 HydrophobicContact CG1-CD1 4.17Å; V797-L828 HydrophobicContact CG2-CD1 3.92Å; P822-L828 HydrophobicContact CB-CD2 4.18Å; P822-L828 HydrophobicContact CG-CD2 4.25Å; L828-S897 CarbonylContact O-C 3.56Å; L828-S897 WeakPolarHBondContact O-CA 3.5Å; L828-M898 HydrophobicContact CB-CB 4.46Å; L828-M898 HydrophobicContact CD2-CE 3.46Å; L828-M898 VanDerWaalsContact CD2-CE 3.46Å; L828-M898 HydrophobicContact CG-CE 3.83Å; L828-M898 PolarHBondContact N-O 3.49Å; L828-M898 PolarHBondContact O-N 2.99Å; L828-V900 HydrophobicContact CB-CG2 3.66Å; L828-V900 HydrophobicContact CD2-CG2 4.45Å |
| 829 | T | 92.5 | Very high | 92.4 | Very high | 35 Ų | 35 | 24.3 Ų | 24.3 | 22% | 0.215 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.3 | 177.5 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | V782 T783 V831 L896 S897 | V782-T829 CarbonylContact C-O 3.51Å; V782-T829 WeakPolarHBondContact CA-O 3.47Å; T783-T829 PolarHBondContact N-O 3.49Å; T783-T829 PolarHBondContact O-N 3.19Å; T783-T829 PolarHBondContact OG1-O 2.89Å; T829-V831 WeakPolarHBondContact O-CG2 3.44Å; T829-L896 WeakPolarHBondContact CA-O 3.05Å; T829-S897 PolarHBondContact OG1-OG 3.47Å |
| 830 | I | 92.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 117.6 | 173 | -49.5 | -173.5 | 0 | 0 | 0 | 107.9 | V761 L780 V782 L896 M898 | V761-I830 HydrophobicContact CG2-CD1 3.28Å; L780-I830 HydrophobicContact CD2-CG2 3.94Å; V782-I830 HydrophobicContact CG1-CG1 4.2Å; I830-L896 HydrophobicContact CB-CB 4.23Å; I830-L896 HydrophobicContact CB-CD2 4.3Å; I830-L896 PolarHBondContact N-O 2.96Å; I830-M898 HydrophobicContact CD1-CE 3.97Å; I830-M898 HydrophobicContact CG1-CE 4.07Å |
| 831 | V | 92.3 | Very high | 91.3 | Very high | 63 Ų | 63 | 28 Ų | 28 | 38% | 0.382 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -26 | -169.6 | -152.7 | 0 | 0 | 0 | 0 | 111.8 | L781 T783 T829 M871 | L781-V831 PolarHBondContact O-N 3.06Å; T783-V831 HydrophobicContact CG2-CG2 3.8Å; T783-V831 VanDerWaalsContact OG1-CG2 3.24Å; T783-V831 WeakPolarHBondContact OG1-CG2 3.33Å; T829-V831 WeakPolarHBondContact O-CG2 3.44Å; V831-M871 PolarHBondContact O-N 3.24Å |
| 832 | G | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | -156.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L781 Q869 | L781-G832 PolarHBondContact N-O 2.84Å; L781-G832 PolarHBondContact O-N 3.14Å; G832-Q869 CarbonylContact C-O 3.42Å; G832-Q869 WeakPolarHBondContact CA-O 3.48Å |
| 833 | I | 94.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.5 | 172.6 | 54.4 | 169.8 | 0 | 0 | 0 | 111.1 | I689 L763 R779 L780 L818 Y835 S868 Q869 M871 | I689-I833 HydrophobicContact CD1-CD1 3.5Å; I689-I833 HydrophobicContact CD1-CG1 3.6Å; I689-I833 HydrophobicContact CG1-CD1 4.07Å; L763-I833 HydrophobicContact CD1-CG2 3.44Å; L763-I833 VanDerWaalsContact CD1-CG2 3.44Å; R779-I833 WeakPolarHBondContact O-CA 3.28Å; L780-I833 HydrophobicContact CD2-CG2 4.05Å; L818-I833 HydrophobicContact CD1-CG2 3.98Å; I833-Y835 HydrophobicContact CB-CD1 4.41Å; I833-Y835 HydrophobicContact CD1-CD1 3.75Å; I833-Y835 HydrophobicContact CD1-CE1 3.49Å; I833-Y835 VanDerWaalsContact CD1-CE1 3.49Å; I833-Y835 HydrophobicContact CG1-CD1 3.96Å; I833-Y835 HydrophobicContact CG1-CE1 3.74Å; I833-S868 CarbonylContact O-C 3.58Å; I833-S868 VanDerWaalsContact O-CA 3.29Å; I833-S868 WeakPolarHBondContact O-CA 3.45Å; I833-Q869 HydrophobicContact CG1-CB 4.22Å; I833-Q869 PolarHBondContact N-O 3.16Å; I833-Q869 PolarHBondContact O-N 2.82Å; I833-M871 HydrophobicContact CG2-SD 4.47Å |
| 834 | A | 94.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 141.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A778 R779 L781 Y866 G867 | A778-A834 CarbonylContact C-O 3.56Å; A778-A834 WeakPolarHBondContact CA-O 3.49Å; R779-A834 HydrophobicContact CG-CB 4.31Å; R779-A834 PolarHBondContact N-O 2.95Å; R779-A834 PolarHBondContact O-N 3.01Å; L781-A834 HydrophobicContact CD1-CB 4.17Å; L781-A834 HydrophobicContact CD2-CB 3.84Å; L781-A834 HydrophobicContact CG-CB 3.97Å; A834-Y866 HydrophobicContact CB-CE2 4.29Å; A834-Y866 WeakPolarHBondContact CB-OH 3.48Å; A834-G867 VanDerWaalsContact CA-O 3.31Å; A834-G867 WeakPolarHBondContact CA-O 3.42Å |
| 835 | Y | 94.8 | Very high | 83.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 160.3 | -176.8 | 52 | -88.9 | 0 | 0 | 0 | 110.8 | L684 L686 P687 L775 I833 L837 G867 Q869 | L684-Y835 HydrophobicContact CB-CE2 4.38Å; L684-Y835 HydrophobicContact CD1-CD2 3.96Å; L684-Y835 HydrophobicContact CD1-CE2 3.42Å; L684-Y835 VanDerWaalsContact CD1-CE2 3.42Å; L686-Y835 WeakPolarHBondContact O-CE2 3.49Å; L686-Y835 PolarHBondContact O-OH 2.88Å; P687-Y835 WeakPolarHBondContact CD-OH 3.17Å; L775-Y835 HydrophobicContact CD2-CD2 3.56Å; L775-Y835 HydrophobicContact CD2-CE2 3.77Å; L775-Y835 HydrophobicContact CD2-CG 4.28Å; I833-Y835 HydrophobicContact CB-CD1 4.41Å; I833-Y835 HydrophobicContact CD1-CD1 3.75Å; I833-Y835 HydrophobicContact CD1-CE1 3.49Å; I833-Y835 VanDerWaalsContact CD1-CE1 3.49Å; I833-Y835 HydrophobicContact CG1-CD1 3.96Å; I833-Y835 HydrophobicContact CG1-CE1 3.74Å; Y835-L837 HydrophobicContact CD2-CB 4.37Å; Y835-L837 HydrophobicContact CE2-CB 4.26Å; Y835-L837 HydrophobicContact CE2-CD1 4.49Å; Y835-G867 PolarHBondContact N-O 3.02Å; Y835-G867 PolarHBondContact O-N 3.16Å; Y835-Q869 HydrophobicContact CE1-CB 4.25Å; Y835-Q869 PolarHBondContact OH-OE1 3.17Å |
| 836 | C | 93 | Very high | 81.2 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 9% | 0.088 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 112.8 | 168.4 | -80.9 | 0 | 0 | 0 | 0 | 109.6 | L775 T776 A864 V865 | L775-C836 WeakPolarHBondContact CA-O 3.24Å; T776-C836 PolarHBondContact N-O 2.99Å; T776-C836 WeakPolarHBondContact O-CB 3.29Å; T776-C836 PolarHBondContact O-N 2.99Å; T776-C836 WeakPolarHBondContact OG1-CB 3.43Å; T776-C836 PolarHBondContact OG1-O 3.14Å; C836-A864 HydrophobicContact CB-CB 4.44Å; C836-V865 CarbonylContact C-O 3.57Å; C836-V865 VanDerWaalsContact CA-O 3.31Å; C836-V865 WeakPolarHBondContact CA-O 3.4Å |
| 837 | L | 94 | Very high | 78.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.7 | 175.6 | -175.4 | 66.7 | 0 | 0 | 0 | 110 | F662 Y665 L666 L684 L686 I773 L775 Y835 A864 V865 | F662-L837 HydrophobicContact CE2-CD2 4.03Å; F662-L837 HydrophobicContact CE2-CG 4.41Å; F662-L837 HydrophobicContact CZ-CD1 4.1Å; F662-L837 HydrophobicContact CZ-CD2 4.03Å; F662-L837 HydrophobicContact CZ-CG 3.91Å; Y665-L837 HydrophobicContact CE1-CD2 4.27Å; L666-L837 HydrophobicContact CD2-CB 4.33Å; L666-L837 HydrophobicContact CD2-CD2 3.9Å; L666-L837 HydrophobicContact CD2-CG 3.99Å; L684-L837 HydrophobicContact CD1-CB 4.05Å; L686-L837 HydrophobicContact CB-CD2 4.17Å; I773-L837 HydrophobicContact CB-CD1 4.46Å; L775-L837 HydrophobicContact CD2-CD1 3.93Å; Y835-L837 HydrophobicContact CD2-CB 4.37Å; Y835-L837 HydrophobicContact CE2-CB 4.26Å; Y835-L837 HydrophobicContact CE2-CD1 4.49Å; L837-A864 CarbonylContact O-C 3.6Å; L837-A864 WeakPolarHBondContact O-CA 3.04Å; L837-V865 PolarHBondContact N-O 2.94Å; L837-V865 PolarHBondContact O-N 3.3Å |
| 838 | C | 91.5 | Very high | 75.7 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 164.7 | -174.6 | 57 | 0 | 0 | 0 | 0 | 113.5 | G774 A864 | G774-C838 VanDerWaalsContact C-SG 3.57Å; G774-C838 PolarHBondContact N-O 3.38Å; G774-C838 PolarHBondContact O-N 2.8Å; G774-C838 PolarHBondContact O-SG 3.23Å; C838-A864 HydrophobicContact CB-CB 3.94Å |
| 839 | N | 88.4 | Confident | 72.9 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 148.8 | 173.7 | -113.3 | -17.1 | 0 | 0 | 0 | 111.1 | F662 C860 | F662-N839 VanDerWaalsContact CD1-OD1 3.23Å; F662-N839 WeakPolarHBondContact CD1-OD1 3.39Å; N839-C860 HydrophobicContact CB-CB 4.17Å; N839-C860 PolarHBondContact O-N 2.93Å; N839-C860 VanDerWaalsContact O-N 3.14Å |
| 840 | V | 85.8 | Confident | 70 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 128.2 | 179.2 | -171.4 | 0 | 0 | 0 | 0 | 109.1 | P772 V806 W857 F859 | P772-V840 HydrophobicContact CB-CB 4.48Å; P772-V840 HydrophobicContact CG-CB 4.41Å; V806-V840 HydrophobicContact CG1-CG1 4.21Å; V806-V840 HydrophobicContact CG2-CG1 4.27Å; V840-W857 HydrophobicContact CG1-CB 3.62Å; V840-W857 HydrophobicContact CG1-CD2 4.16Å; V840-W857 HydrophobicContact CG1-CE3 3.86Å; V840-W857 HydrophobicContact CG1-CG 4.08Å; V840-F859 HydrophobicContact CG2-CD1 4.28Å; V840-F859 HydrophobicContact CG2-CE1 4.25Å |
| 841 | E | 74.9 | Confident | 67 | Low | 107 Ų | 107 | 63.2 Ų | 63.2 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 144.1 | 173.8 | -68.9 | -176.3 | 165.8 | 0 | 0 | 110.6 | A843 W857 K858 | E841-A843 PolarHBondContact O-N 2.96Å; E841-W857 CarbonylContact O-C 3.54Å; E841-W857 WeakPolarHBondContact O-CA 3.11Å; E841-K858 PolarHBondContact N-O 3.1Å; E841-K858 PolarHBondContact O-N 3.21Å |
| 842 | E | 61.8 | Low | 64.3 | Low | 129 Ų | 129 | 64 Ų | 64 | 60% | 0.603 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122.4 | 173.5 | -140.2 | 158.3 | -130 | 0 | 0 | 106.8 | D844 W857 | E842-D844 PolarHBondContact O-N 2.87Å; E842-W857 HydrophobicContact CB-CE3 4.15Å; E842-W857 HydrophobicContact CB-CH2 4.48Å; E842-W857 HydrophobicContact CB-CZ3 3.71Å; E842-W857 HydrophobicContact CG-CE3 4.05Å; E842-W857 HydrophobicContact CG-CH2 3.7Å; E842-W857 HydrophobicContact CG-CZ3 3.41Å; E842-W857 VanDerWaalsContact CG-CZ3 3.41Å; E842-W857 WeakPolarHBondContact OE1-CH2 3.49Å |
| 843 | A | 56.7 | Low | 61.8 | Low | 33 Ų | 33 | 71.8 Ų | 71.8 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | trans | -69.8 | 119.6 | -178 | 0 | 0 | 0 | 0 | 0 | 109.1 | E841 S845 L856 | E841-A843 PolarHBondContact O-N 2.96Å; A843-S845 PolarHBondContact O-N 2.9Å; A843-L856 HydrophobicContact CB-CB 4.28Å; A843-L856 HydrophobicContact CB-CD2 4.27Å; A843-L856 PolarHBondContact N-O 2.99Å | ||
| 844 | D | 46.5 | Very low | 59.3 | Low | 157 Ų | 157 | 78.4 Ų | 78.4 | 84% | 0.84 | 47% | 0.465 | S | S | * | . | trans | -52.1 | 107.4 | 175.8 | -74.5 | -31.8 | 0 | 0 | 0 | 109.9 | E842 N846 | E842-D844 PolarHBondContact O-N 2.87Å; D844-N846 PolarHBondContact O-N 2.75Å | ||
| 845 | S | 42 | Very low | 57.1 | Low | 86 Ų | 86 | 83 Ų | 83 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | trans | -72.4 | 93.6 | 175.3 | 59.3 | 0 | 0 | 0 | 0 | 108.3 | A843 G847 | A843-S845 PolarHBondContact O-N 2.9Å; S845-G847 PolarHBondContact O-N 2.89Å | ||
| 846 | N | 37.1 | Very low | 55.4 | Low | 153 Ų | 153 | 86.8 Ų | 86.8 | 82% | 0.818 | 52% | 0.516 | S | S | * | . | trans | -64.5 | 86.2 | 158 | -87.5 | -15.5 | 0 | 0 | 0 | 108.4 | D844 S848 | D844-N846 PolarHBondContact O-N 2.75Å; N846-S848 PolarHBondContact O-N 3.48Å; N846-S848 PolarHBondContact O-OG 3.29Å; N846-S848 VanDerWaalsContact O-OG 3.09Å | ||
| 847 | G | 39.2 | Very low | 54 | Low | 85 Ų | 85 | 90 Ų | 90 | 88% | 0.876 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 55.6 | 8.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | S845 | S845-G847 PolarHBondContact O-N 2.89Š|
| 848 | S | 32.1 | Very low | 52.9 | Low | 92 Ų | 92 | 97.3 Ų | 97.3 | 64% | 0.643 | 56% | 0.558 | S | S | * | * | trans | -123.6 | 116.8 | -178.5 | 45.3 | 0 | 0 | 0 | 0 | 110.4 | N846 P850 | N846-S848 PolarHBondContact O-N 3.48Å; N846-S848 PolarHBondContact O-OG 3.29Å; N846-S848 VanDerWaalsContact O-OG 3.09Å; S848-P850 WeakPolarHBondContact O-CD 3.08Å | ||
| 849 | V | 34 | Very low | 52.1 | Low | 134 Ų | 134 | 98.9 Ų | 98.9 | 81% | 0.812 | 57% | 0.565 | S | S | * | * | trans | -61 | 118.4 | 174.4 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | L851 | V849-L851 PolarHBondContact O-N 2.82Š| ||
| 850 | P | 30.9 | Very low | 51.5 | Low | 69 Ų | 69 | 99 Ų | 99 | 45% | 0.448 | 57% | 0.567 | S | S | . | * | trans | -78.6 | 119.8 | 176.8 | 10.4 | 2.7 | 0 | 0 | 0 | 109.7 | S848 S852 L856 | S848-P850 WeakPolarHBondContact O-CD 3.08Å; P850-S852 VanDerWaalsContact C-N 3.29Å; P850-S852 PolarHBondContact O-N 3.01Å; P850-L856 HydrophobicContact CG-CD1 3.97Å; P850-L856 HydrophobicContact CG-CD2 4.39Å; P850-L856 HydrophobicContact CG-CG 4.26Å | ||
| 851 | L | 31.3 | Very low | 50.6 | Low | 174 Ų | 174 | 106.5 Ų | 106.5 | 91% | 0.911 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -80.4 | 74.7 | 165.3 | -79.1 | 141.5 | 0 | 0 | 0 | 108.8 | V849 | V849-L851 PolarHBondContact O-N 2.82Š|
| 852 | S | 34.9 | Very low | 50.4 | Low | 80 Ų | 80 | 106.4 Ų | 106.4 | 56% | 0.559 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 168.9 | 151.9 | 156.3 | 45.5 | 0 | 0 | 0 | 0 | 109.7 | P850 D854 | P850-S852 VanDerWaalsContact C-N 3.29Å; P850-S852 PolarHBondContact O-N 3.01Å; S852-D854 PolarHBondContact O-N 2.55Å |
| 853 | N | 41.1 | Very low | 50.9 | Low | 162 Ų | 162 | 101.5 Ų | 101.5 | 87% | 0.866 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -68.2 | 14.7 | -176.6 | -79.4 | -18.3 | 0 | 0 | 0 | 115.2 | C855 | N853-C855 PolarHBondContact O-N 2.66Å; N853-C855 VanDerWaalsContact O-N 3.08Å |
| 854 | D | 40.8 | Very low | 52.3 | Low | 141 Ų | 141 | 101.2 Ų | 101.2 | 75% | 0.754 | 59% | 0.591 | S | S | * | * | trans | -78.8 | 96.6 | 174.6 | -74.5 | -14.3 | 0 | 0 | 0 | 108.8 | S852 | S852-D854 PolarHBondContact O-N 2.55Š| ||
| 855 | C | 49.2 | Very low | 54.4 | Low | 97 Ų | 97 | 94 Ų | 94 | 66% | 0.655 | 55% | 0.552 | S | S | * | * | trans | -63.5 | 136.8 | -168.9 | -73.3 | 0 | 0 | 0 | 0 | 113.6 | N853 W857 | N853-C855 PolarHBondContact O-N 2.66Å; N853-C855 VanDerWaalsContact O-N 3.08Å; C855-W857 VanDerWaalsContact C-N 3.28Å; C855-W857 VanDerWaalsContact CB-CD1 3.44Å; C855-W857 PolarHBondContact O-N 2.82Å | ||
| 856 | L | 58.5 | Low | 56.8 | Low | 79 Ų | 79 | 93.9 Ų | 93.9 | 41% | 0.414 | 54% | 0.539 | S | S | . | . | trans | -60.9 | 61.4 | 178.4 | -73.6 | 151.6 | 0 | 0 | 0 | 114.9 | A843 P850 | A843-L856 HydrophobicContact CB-CB 4.28Å; A843-L856 HydrophobicContact CB-CD2 4.27Å; A843-L856 PolarHBondContact N-O 2.99Å; P850-L856 HydrophobicContact CG-CD1 3.97Å; P850-L856 HydrophobicContact CG-CD2 4.39Å; P850-L856 HydrophobicContact CG-CG 4.26Å | ||
| 857 | W | 63.3 | Low | 59.4 | Low | 82 Ų | 82 | 86.6 Ų | 86.6 | 31% | 0.311 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.2 | 179.1 | -56.8 | 105.9 | 0 | 0 | 0 | 111.8 | P772 V806 V840 E841 E842 C855 | P772-W857 HydrophobicContact CG-CZ3 4.12Å; V806-W857 HydrophobicContact CG1-CG 4.35Å; V806-W857 HydrophobicContact CG2-CB 4.08Å; V806-W857 HydrophobicContact CG2-CG 4.26Å; V840-W857 HydrophobicContact CG1-CB 3.62Å; V840-W857 HydrophobicContact CG1-CD2 4.16Å; V840-W857 HydrophobicContact CG1-CE3 3.86Å; V840-W857 HydrophobicContact CG1-CG 4.08Å; E841-W857 CarbonylContact O-C 3.54Å; E841-W857 WeakPolarHBondContact O-CA 3.11Å; E842-W857 HydrophobicContact CB-CE3 4.15Å; E842-W857 HydrophobicContact CB-CH2 4.48Å; E842-W857 HydrophobicContact CB-CZ3 3.71Å; E842-W857 HydrophobicContact CG-CE3 4.05Å; E842-W857 HydrophobicContact CG-CH2 3.7Å; E842-W857 HydrophobicContact CG-CZ3 3.41Å; E842-W857 VanDerWaalsContact CG-CZ3 3.41Å; E842-W857 WeakPolarHBondContact OE1-CH2 3.49Å; C855-W857 VanDerWaalsContact C-N 3.28Å; C855-W857 VanDerWaalsContact CB-CD1 3.44Å; C855-W857 PolarHBondContact O-N 2.82Å |
| 858 | K | 72.1 | Confident | 62 | Low | 152 Ų | 152 | 83.6 Ų | 83.6 | 66% | 0.661 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.5 | 178.3 | -133.1 | 177.7 | -174.8 | 177.9 | 0 | 109.8 | E841 | E841-K858 PolarHBondContact N-O 3.1Å; E841-K858 PolarHBondContact O-N 3.21Å |
| 859 | F | 73.8 | Confident | 64.9 | Low | 36 Ų | 36 | 80.5 Ų | 80.5 | 16% | 0.158 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 128.3 | 178.2 | -70.3 | -87.2 | 0 | 0 | 0 | 111.7 | T776 E804 V806 V840 Q861 | T776-F859 HydrophobicContact CG2-CD1 3.92Å; T776-F859 HydrophobicContact CG2-CE1 4.03Å; T776-F859 HydrophobicContact CG2-CG 4.42Å; E804-F859 HydrophobicContact CB-CE2 3.7Å; E804-F859 HydrophobicContact CB-CZ 3.77Å; E804-F859 VanDerWaalsContact CD-CE2 3.48Å; E804-F859 HydrophobicContact CG-CD2 4.17Å; E804-F859 HydrophobicContact CG-CE2 3.79Å; E804-F859 HydrophobicContact CG-CZ 4.17Å; E804-F859 VanDerWaalsContact OE2-CE2 3.27Å; E804-F859 WeakPolarHBondContact OE2-CE2 3.41Å; V806-F859 HydrophobicContact CG2-CE1 4.03Å; V806-F859 HydrophobicContact CG2-CE2 4.09Å; V806-F859 HydrophobicContact CG2-CZ 3.42Å; V806-F859 VanDerWaalsContact CG2-CZ 3.42Å; V840-F859 HydrophobicContact CG2-CD1 4.28Å; V840-F859 HydrophobicContact CG2-CE1 4.25Å; F859-Q861 PolarHBondContact O-N 3.02Å |
| 860 | C | 75.1 | Confident | 67.6 | Low | 28 Ų | 28 | 77.9 Ų | 77.9 | 19% | 0.189 | 43% | 0.434 | C | S | . | . | trans | -86.8 | 86.6 | 175.5 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | N839 S862 S863 | N839-C860 HydrophobicContact CB-CB 4.17Å; N839-C860 PolarHBondContact O-N 2.93Å; N839-C860 VanDerWaalsContact O-N 3.14Å; C860-S862 VanDerWaalsContact C-N 3.27Å; C860-S862 PolarHBondContact O-N 2.77Å; C860-S863 PolarHBondContact O-N 3.2Å; C860-S863 VanDerWaalsContact O-N 3.09Å | ||
| 861 | Q | 66.6 | Low | 70.3 | Confident | 161 Ų | 161 | 75.1 Ų | 75.1 | 75% | 0.752 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -58.9 | -32.4 | -178 | -71.1 | -174.9 | -4.9 | 0 | 0 | 114 | F859 S863 A864 | F859-Q861 PolarHBondContact O-N 3.02Å; Q861-S863 PolarHBondContact O-N 3.35Å; Q861-S863 VanDerWaalsContact O-N 3.09Å; Q861-A864 WeakPolarHBondContact O-CB 3.18Å; Q861-A864 PolarHBondContact O-N 2.99Å; Q861-A864 VanDerWaalsContact O-N 3.14Å |
| 862 | S | 71.1 | Confident | 72.6 | Confident | 104 Ų | 104 | 73 Ų | 73 | 73% | 0.727 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -59.9 | -22.2 | 177.6 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | K670 C860 | K670-S862 PolarHBondContact NZ-O 2.89Å; C860-S862 VanDerWaalsContact C-N 3.27Å; C860-S862 PolarHBondContact O-N 2.77Å |
| 863 | S | 73.4 | Confident | 74.8 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 19% | 0.189 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -105.3 | 5.7 | -178.6 | -54.7 | 0 | 0 | 0 | 0 | 113.7 | C860 Q861 | C860-S863 PolarHBondContact O-N 3.2Å; C860-S863 VanDerWaalsContact O-N 3.09Å; Q861-S863 PolarHBondContact O-N 3.35Å; Q861-S863 VanDerWaalsContact O-N 3.09Å |
| 864 | A | 85.8 | Confident | 76.4 | Confident | 26 Ų | 26 | 69.4 Ų | 69.4 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | trans | -72.5 | 135.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K670 C836 L837 C838 Q861 | K670-A864 WeakPolarHBondContact CE-O 3.42Å; K670-A864 PolarHBondContact NZ-O 2.85Å; C836-A864 HydrophobicContact CB-CB 4.44Å; L837-A864 CarbonylContact O-C 3.6Å; L837-A864 WeakPolarHBondContact O-CA 3.04Å; C838-A864 HydrophobicContact CB-CB 3.94Å; Q861-A864 WeakPolarHBondContact O-CB 3.18Å; Q861-A864 PolarHBondContact O-N 2.99Å; Q861-A864 VanDerWaalsContact O-N 3.14Å | ||
| 865 | V | 90.2 | Very high | 78.1 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118 | 177.1 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | L666 L669 K670 P682 C836 L837 | L666-V865 HydrophobicContact CB-CG2 4.01Å; L666-V865 HydrophobicContact CD2-CB 4.31Å; L666-V865 HydrophobicContact CD2-CG2 3.84Å; L666-V865 WeakPolarHBondContact O-CG2 3.44Å; L669-V865 HydrophobicContact CB-CG1 4.03Å; L669-V865 HydrophobicContact CB-CG2 4.4Å; L669-V865 HydrophobicContact CD1-CG1 4.34Å; K670-V865 HydrophobicContact CD-CG2 4.29Å; K670-V865 HydrophobicContact CG-CG2 3.67Å; P682-V865 HydrophobicContact CG-CG1 4.48Å; C836-V865 CarbonylContact C-O 3.57Å; C836-V865 VanDerWaalsContact CA-O 3.31Å; C836-V865 WeakPolarHBondContact CA-O 3.4Å; L837-V865 PolarHBondContact N-O 2.94Å; L837-V865 PolarHBondContact O-N 3.3Å |
| 866 | Y | 91.6 | Very high | 79.4 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 127.3 | 173.2 | -174.8 | -105.5 | 0 | 0 | 0 | 110.4 | V681 P682 R779 A834 | V681-Y866 HydrophobicContact CG1-CD1 3.76Å; V681-Y866 HydrophobicContact CG1-CE1 3.78Å; V681-Y866 HydrophobicContact CG2-CE1 4.24Å; P682-Y866 WeakPolarHBondContact CD-O 3.2Å; P682-Y866 WeakPolarHBondContact CG-O 3.28Å; R779-Y866 PolarHBondContact NH2-OH 3.03Å; A834-Y866 HydrophobicContact CB-CE2 4.29Å; A834-Y866 WeakPolarHBondContact CB-OH 3.48Å |
| 867 | G | 92 | Very high | 80.4 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | -178.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P682 A834 Y835 | P682-G867 WeakPolarHBondContact O-CA 3.22Å; A834-G867 VanDerWaalsContact CA-O 3.31Å; A834-G867 WeakPolarHBondContact CA-O 3.42Å; Y835-G867 PolarHBondContact N-O 3.02Å; Y835-G867 PolarHBondContact O-N 3.16Å |
| 868 | S | 93.7 | Very high | 81.4 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 16% | 0.161 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 157 | -179.7 | 65.7 | 0 | 0 | 0 | 0 | 112.3 | P682 K683 L684 I833 | P682-S868 PolarHBondContact O-N 3.43Å; K683-S868 CarbonylContact C-O 3.48Å; K683-S868 WeakPolarHBondContact CA-O 3.31Å; L684-S868 PolarHBondContact N-O 3Å; I833-S868 CarbonylContact O-C 3.58Å; I833-S868 VanDerWaalsContact O-CA 3.29Å; I833-S868 WeakPolarHBondContact O-CA 3.45Å |
| 869 | Q | 93 | Very high | 81.9 | Confident | 27 Ų | 27 | 64 Ų | 64 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 120.5 | 175.5 | -161.1 | 169 | 15.8 | 0 | 0 | 108.3 | L684 P687 I689 G832 I833 Y835 | L684-Q869 VanDerWaalsContact O-CG 3.31Å; L684-Q869 WeakPolarHBondContact O-CG 3.45Å; L684-Q869 PolarHBondContact O-NE2 2.99Å; P687-Q869 PolarHBondContact O-NE2 2.97Å; P687-Q869 PolarHBondContact O-OE1 3.1Å; I689-Q869 HydrophobicContact CD1-CB 3.89Å; I689-Q869 HydrophobicContact CD1-CG 3.72Å; I689-Q869 HydrophobicContact CG1-CG 4.38Å; G832-Q869 CarbonylContact C-O 3.42Å; G832-Q869 WeakPolarHBondContact CA-O 3.48Å; I833-Q869 HydrophobicContact CG1-CB 4.22Å; I833-Q869 PolarHBondContact N-O 3.16Å; I833-Q869 PolarHBondContact O-N 2.82Å; Y835-Q869 HydrophobicContact CE1-CB 4.25Å; Y835-Q869 PolarHBondContact OH-OE1 3.17Å |
| 870 | A | 91 | Very high | 82.4 | Confident | 79 Ų | 79 | 68.3 Ų | 68.3 | 65% | 0.653 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 142.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 871 | M | 87.3 | Confident | 83 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 5% | 0.054 | 36% | 0.36 | C | S | . | . | trans | -102.6 | 127.6 | 175.2 | -73 | 174 | 70.3 | 0 | 0 | 109.5 | I689 T694 L763 V831 I833 L896 | I689-M871 HydrophobicContact CD1-CG 4.12Å; I689-M871 HydrophobicContact CG2-CG 4.47Å; T694-M871 HydrophobicContact CG2-CE 3.62Å; T694-M871 WeakPolarHBondContact OG1-CE 3.28Å; L763-M871 HydrophobicContact CD2-CE 3.22Å; L763-M871 HydrophobicContact CD2-SD 3.54Å; L763-M871 VanDerWaalsContact CD2-SD 3.54Å; V831-M871 PolarHBondContact O-N 3.24Å; I833-M871 HydrophobicContact CG2-SD 4.47Å; M871-L896 HydrophobicContact CB-CD1 4.16Å; M871-L896 HydrophobicContact CE-CD1 4.42Å; M871-L896 HydrophobicContact CE-CD2 4.41Å | ||
| 872 | L | 80.3 | Confident | 83.7 | Confident | 130 Ų | 130 | 70 Ų | 70 | 68% | 0.681 | 36% | 0.358 | S | S | * | . | trans | -130.6 | 96.3 | 176.9 | -155.7 | 96.8 | 0 | 0 | 0 | 110.4 | R874 | L872-R874 PolarHBondContact O-N 3.03Š| ||
| 873 | V | 80.9 | Confident | 84.4 | Confident | 19 Ų | 19 | 72.3 Ų | 72.3 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | trans | -81.4 | 120 | 177.2 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | D691 D893 L896 | D691-V873 HydrophobicContact CB-CG2 4.47Å; V873-D893 HydrophobicContact CB-CB 4.39Å; V873-D893 HydrophobicContact CG1-CB 4.09Å; V873-D893 WeakPolarHBondContact CG1-OD2 3.18Å; V873-L896 HydrophobicContact CG2-CD1 3.7Å; V873-L896 HydrophobicContact CG2-CG 4.07Å | ||
| 874 | R | 75.3 | Confident | 85 | Confident | 146 Ų | 146 | 72.9 Ų | 72.9 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | trans | -83.9 | 131.6 | 174 | -65.6 | -178.8 | -173.3 | 175.7 | 3 | 109.8 | L872 | L872-R874 PolarHBondContact O-N 3.03Š| ||
| 875 | G | 75.2 | Confident | 84.8 | Confident | 11 Ų | 11 | 79.1 Ų | 79.1 | 11% | 0.113 | 38% | 0.375 | C | S | . | . | trans | -75.8 | 178.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y890 A891 | G875-Y890 VanDerWaalsContact O-CD1 3.3Å; G875-Y890 WeakPolarHBondContact O-CD1 3.4Å; G875-A891 WeakPolarHBondContact CA-O 3.3Å; G875-A891 PolarHBondContact N-O 2.69Å | ||
| 876 | R | 76.4 | Confident | 84.5 | Confident | 192 Ų | 192 | 85.8 Ų | 85.8 | 73% | 0.725 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 142.9 | -178.2 | -179.2 | -178.6 | 177.1 | -170.5 | 0.8 | 112.1 | L878 Y890 A891 | R876-L878 PolarHBondContact O-N 3.36Å; R876-Y890 WeakPolarHBondContact O-CA 3.32Å; R876-A891 PolarHBondContact O-N 2.55Å |
| 877 | R | 80.3 | Confident | 83.9 | Confident | 112 Ų | 112 | 82.8 Ų | 82.8 | 42% | 0.423 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -60.4 | 123.5 | 169.9 | -172.4 | 177.1 | 178.7 | -165.1 | -0.8 | 110.9 | G887 F889 Y890 | R877-G887 PolarHBondContact NH2-O 2.91Å; R877-F889 WeakPolarHBondContact CA-O 3.35Å; R877-Y890 HydrophobicContact CB-CD1 4.19Å; R877-Y890 HydrophobicContact CB-CE1 4.1Å |
| 878 | L | 83.6 | Confident | 83.4 | Confident | 53 Ų | 53 | 92.6 Ų | 92.6 | 28% | 0.277 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 134.3 | 175.8 | -64.1 | 171.7 | 0 | 0 | 0 | 109.3 | R876 Q884 F889 A891 | R876-L878 PolarHBondContact O-N 3.36Å; L878-Q884 HydrophobicContact CB-CB 4.34Å; L878-Q884 HydrophobicContact CB-CG 3.98Å; L878-F889 HydrophobicContact CB-CB 4.39Å; L878-F889 HydrophobicContact CD1-CB 4.47Å; L878-F889 PolarHBondContact N-O 3.08Å; L878-A891 HydrophobicContact CD2-CB 4.04Å; L878-A891 HydrophobicContact CG-CB 4.31Å |
| 879 | N | 83.7 | Confident | 82.8 | Confident | 69 Ų | 69 | 96.6 Ų | 96.6 | 37% | 0.369 | 46% | 0.456 | S | S | . | . | trans | -137.5 | 11.4 | -177.2 | -70 | -38.9 | 0 | 0 | 0 | 112.8 | R885 | N879-R885 HydrophobicContact CB-CG 4.33Å; N879-R885 WeakPolarHBondContact O-CG 3.23Å; N879-R885 PolarHBondContact O-NE 3.45Å | ||
| 880 | D | 84 | Confident | 82.2 | Confident | 128 Ų | 128 | 100.2 Ų | 100.2 | 68% | 0.684 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -78.6 | -41.8 | -167.8 | -60.5 | -27.9 | 0 | 0 | 0 | 111 | R885 | D880-R885 PolarHBondContact O-NH2 3.05Š|
| 881 | T | 87 | Confident | 81.6 | Confident | 61 Ų | 61 | 98.1 Ų | 98.1 | 37% | 0.374 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -92.3 | 158.7 | 177.5 | 76.8 | 0 | 0 | 0 | 0 | 112.9 | E883 Q884 R885 | T881-E883 VanDerWaalsContact C-N 3.3Å; T881-E883 PolarHBondContact O-N 3.42Å; T881-Q884 VanDerWaalsContact N-OE1 3.1Å; T881-Q884 WeakPolarHBondContact O-CB 3.23Å; T881-Q884 PolarHBondContact O-N 3.39Å; T881-Q884 VanDerWaalsContact O-N 3.17Å; T881-Q884 WeakPolarHBondContact OG1-CB 3.27Å; T881-Q884 WeakPolarHBondContact OG1-CG 3.32Å; T881-Q884 PolarHBondContact OG1-N 3.11Å; T881-Q884 VanDerWaalsContact OG1-N 3.12Å; T881-R885 WeakPolarHBondContact O-CG 3.3Å; T881-R885 PolarHBondContact O-N 2.83Å |
| 882 | K | 81.9 | Confident | 81.2 | Confident | 164 Ų | 164 | 102.9 Ų | 102.9 | 71% | 0.713 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.4 | -40.3 | 176.9 | -170.4 | -179.7 | 178.9 | -176.4 | 0 | 111.8 | R885 L886 | K882-R885 PolarHBondContact O-N 2.85Å; K882-L886 HydrophobicContact CG-CD1 3.99Å; K882-L886 WeakPolarHBondContact O-CB 3.12Å; K882-L886 WeakPolarHBondContact O-CG 3.44Å; K882-L886 PolarHBondContact O-N 3.29Å |
| 883 | E | 85.3 | Confident | 81.4 | Confident | 152 Ų | 152 | 98.1 Ų | 98.1 | 71% | 0.71 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 174 | -69.2 | 163.9 | 178.5 | 0 | 0 | 111.6 | T881 R885 L886 G887 F889 | T881-E883 VanDerWaalsContact C-N 3.3Å; T881-E883 PolarHBondContact O-N 3.42Å; E883-R885 PolarHBondContact O-N 2.97Å; E883-L886 PolarHBondContact O-N 3.14Å; E883-G887 PolarHBondContact O-N 3.48Å; E883-F889 WeakPolarHBondContact O-CE2 3.4Å |
| 884 | Q | 87.1 | Confident | 81.6 | Confident | 39 Ų | 39 | 97.6 Ų | 97.6 | 18% | 0.182 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.6 | -75.8 | 170 | -0.1 | 0 | 0 | 112.8 | L878 T881 G887 F889 | L878-Q884 HydrophobicContact CB-CB 4.34Å; L878-Q884 HydrophobicContact CB-CG 3.98Å; T881-Q884 VanDerWaalsContact N-OE1 3.1Å; T881-Q884 WeakPolarHBondContact O-CB 3.23Å; T881-Q884 PolarHBondContact O-N 3.39Å; T881-Q884 VanDerWaalsContact O-N 3.17Å; T881-Q884 WeakPolarHBondContact OG1-CB 3.27Å; T881-Q884 WeakPolarHBondContact OG1-CG 3.32Å; T881-Q884 PolarHBondContact OG1-N 3.11Å; T881-Q884 VanDerWaalsContact OG1-N 3.12Å; Q884-G887 CarbonylContact O-C 3.48Å; Q884-F889 HydrophobicContact CG-CB 4.29Å; Q884-F889 HydrophobicContact CG-CD2 4.35Å; Q884-F889 HydrophobicContact CG-CG 4.46Å |
| 885 | R | 81.3 | Confident | 82.2 | Confident | 157 Ų | 157 | 91 Ų | 91 | 59% | 0.592 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.9 | -39.4 | 176.7 | -65.8 | 177.3 | -150.2 | 164.2 | 10.7 | 112.7 | N879 D880 T881 K882 E883 | N879-R885 HydrophobicContact CB-CG 4.33Å; N879-R885 WeakPolarHBondContact O-CG 3.23Å; N879-R885 PolarHBondContact O-NE 3.45Å; D880-R885 PolarHBondContact O-NH2 3.05Å; T881-R885 WeakPolarHBondContact O-CG 3.3Å; T881-R885 PolarHBondContact O-N 2.83Å; K882-R885 PolarHBondContact O-N 2.85Å; E883-R885 PolarHBondContact O-N 2.97Å |
| 886 | L | 83.5 | Confident | 82.9 | Confident | 145 Ų | 145 | 91.1 Ų | 91.1 | 76% | 0.759 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -76.4 | -28.5 | 178.7 | -69.2 | 171.2 | 0 | 0 | 0 | 112.1 | K882 E883 | K882-L886 HydrophobicContact CG-CD1 3.99Å; K882-L886 WeakPolarHBondContact O-CB 3.12Å; K882-L886 WeakPolarHBondContact O-CG 3.44Å; K882-L886 PolarHBondContact O-N 3.29Å; E883-L886 PolarHBondContact O-N 3.14Å |
| 887 | G | 80.3 | Confident | 83.5 | Confident | 21 Ų | 21 | 83.2 Ų | 83.2 | 22% | 0.216 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -175.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | R877 E883 Q884 | R877-G887 PolarHBondContact NH2-O 2.91Å; E883-G887 PolarHBondContact O-N 3.48Å; Q884-G887 CarbonylContact O-C 3.48Å |
| 888 | R | 79.9 | Confident | 84 | Confident | 205 Ų | 205 | 77.9 Ų | 77.9 | 77% | 0.774 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 77.5 | 171 | -70 | -176.3 | -178.9 | 176 | 0.1 | 109.1 | Y890 | R888-Y890 HydrophobicContact CB-CE2 4.28Š|
| 889 | F | 82.2 | Confident | 84.4 | Confident | 108 Ų | 108 | 78.6 Ų | 78.6 | 47% | 0.474 | 38% | 0.384 | S | S | . | . | trans | -99.6 | 141.4 | 176.9 | -63.3 | -90.4 | 0 | 0 | 0 | 110.6 | R877 L878 E883 Q884 | R877-F889 WeakPolarHBondContact CA-O 3.35Å; L878-F889 HydrophobicContact CB-CB 4.39Å; L878-F889 HydrophobicContact CD1-CB 4.47Å; L878-F889 PolarHBondContact N-O 3.08Å; E883-F889 WeakPolarHBondContact O-CE2 3.4Å; Q884-F889 HydrophobicContact CG-CB 4.29Å; Q884-F889 HydrophobicContact CG-CD2 4.35Å; Q884-F889 HydrophobicContact CG-CG 4.46Å | ||
| 890 | Y | 80.2 | Confident | 84.7 | Confident | 103 Ų | 103 | 75.5 Ų | 75.5 | 40% | 0.404 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -125.7 | 144.7 | -179.9 | -63.2 | -90.1 | 0 | 0 | 0 | 109.3 | G875 R876 R877 R888 | G875-Y890 VanDerWaalsContact O-CD1 3.3Å; G875-Y890 WeakPolarHBondContact O-CD1 3.4Å; R876-Y890 WeakPolarHBondContact O-CA 3.32Å; R877-Y890 HydrophobicContact CB-CD1 4.19Å; R877-Y890 HydrophobicContact CB-CE1 4.1Å; R888-Y890 HydrophobicContact CB-CE2 4.28Å |
| 891 | A | 78.4 | Confident | 84.9 | Confident | 35 Ų | 35 | 69.4 Ų | 69.4 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 156.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G875 R876 L878 | G875-A891 WeakPolarHBondContact CA-O 3.3Å; G875-A891 PolarHBondContact N-O 2.69Å; R876-A891 PolarHBondContact O-N 2.55Å; L878-A891 HydrophobicContact CD2-CB 4.04Å; L878-A891 HydrophobicContact CG-CB 4.31Å |
| 892 | T | 79.4 | Confident | 85 | Confident | 111 Ų | 111 | 67.4 Ų | 67.4 | 68% | 0.681 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -72 | 126.9 | 171.4 | -48.6 | 0 | 0 | 0 | 0 | 109.9 | T894 | T892-T894 HydrophobicContact CG2-CG2 4.43Š|
| 893 | D | 82.9 | Confident | 85.1 | Confident | 29 Ų | 29 | 63.3 Ų | 63.3 | 16% | 0.155 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -96.8 | 118 | 172.3 | -164.4 | -43.1 | 0 | 0 | 0 | 110 | V873 R895 | V873-D893 HydrophobicContact CB-CB 4.39Å; V873-D893 HydrophobicContact CG1-CB 4.09Å; V873-D893 WeakPolarHBondContact CG1-OD2 3.18Å; D893-R895 VanDerWaalsContact OD1-CB 3.25Å; D893-R895 WeakPolarHBondContact OD1-CB 3.46Å; D893-R895 WeakPolarHBondContact OD1-CG 3.17Å; D893-R895 PolarHBondContact OD1-N 2.98Å; D893-R895 IonicContact OD1-NE 3.58Å; D893-R895 PolarHBondContact OD1-NE 3.44Å; D893-R895 IonicContact OD2-CZ 2.68Å; D893-R895 VanDerWaalsContact OD2-CZ 3.24Å; D893-R895 IonicContact OD2-NE 3.58Å; D893-R895 PolarHBondContact OD2-NE 2.93Å; D893-R895 IonicContact OD2-NH2 3.38Å; D893-R895 PolarHBondContact OD2-NH2 3.33Å |
| 894 | T | 86.6 | Confident | 85 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | trans | -99.1 | 8.8 | -177.5 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | W745 A747 T748 L749 T892 L896 S897 | W745-T894 PolarHBondContact NE1-OG1 2.72Å; A747-T894 PolarHBondContact O-OG1 3.4Å; T748-T894 WeakPolarHBondContact O-CG2 3.22Å; L749-T894 PolarHBondContact O-OG1 2.48Å; T892-T894 HydrophobicContact CG2-CG2 4.43Å; T894-L896 PolarHBondContact O-N 3.39Å; T894-L896 VanDerWaalsContact O-N 3.12Å; T894-S897 PolarHBondContact O-N 2.74Å | ||
| 895 | R | 86.8 | Confident | 84.7 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.2 | -173.5 | 75 | 179.1 | 75.2 | 168.5 | 10.2 | 113.9 | E692 T694 R741 G742 W745 D893 | E692-R895 PolarHBondContact O-NH1 3.31Å; T694-R895 PolarHBondContact O-NH1 2.93Å; R741-R895 HydrophobicContact CB-CB 3.93Å; G742-R895 PolarHBondContact O-NH1 3.48Å; W745-R895 HydrophobicContact CB-CB 4.45Å; W745-R895 HydrophobicContact CG-CB 4.14Å; D893-R895 VanDerWaalsContact OD1-CB 3.25Å; D893-R895 WeakPolarHBondContact OD1-CB 3.46Å; D893-R895 WeakPolarHBondContact OD1-CG 3.17Å; D893-R895 PolarHBondContact OD1-N 2.98Å; D893-R895 IonicContact OD1-NE 3.58Å; D893-R895 PolarHBondContact OD1-NE 3.44Å; D893-R895 IonicContact OD2-CZ 2.68Å; D893-R895 VanDerWaalsContact OD2-CZ 3.24Å; D893-R895 IonicContact OD2-NE 3.58Å; D893-R895 PolarHBondContact OD2-NE 2.93Å; D893-R895 IonicContact OD2-NH2 3.38Å; D893-R895 PolarHBondContact OD2-NH2 3.33Å |
| 896 | L | 89.5 | Confident | 84.9 | Confident | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4.3 | 178.9 | -61.9 | -175.1 | 0 | 0 | 0 | 113.5 | T694 V696 T829 I830 M871 V873 T894 | T694-L896 HydrophobicContact CG2-CD2 4.21Å; V696-L896 HydrophobicContact CG2-CD2 3.83Å; T829-L896 WeakPolarHBondContact CA-O 3.05Å; I830-L896 HydrophobicContact CB-CB 4.23Å; I830-L896 HydrophobicContact CB-CD2 4.3Å; I830-L896 PolarHBondContact N-O 2.96Å; M871-L896 HydrophobicContact CB-CD1 4.16Å; M871-L896 HydrophobicContact CE-CD1 4.42Å; M871-L896 HydrophobicContact CE-CD2 4.41Å; V873-L896 HydrophobicContact CG2-CD1 3.7Å; V873-L896 HydrophobicContact CG2-CG 4.07Å; T894-L896 PolarHBondContact O-N 3.39Å; T894-L896 VanDerWaalsContact O-N 3.12Å |
| 897 | S | 90.3 | Very high | 85.1 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 19% | 0.189 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 137.1 | -179.3 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | P750 L828 T829 T894 | P750-S897 WeakPolarHBondContact CB-O 3.25Å; L828-S897 CarbonylContact O-C 3.56Å; L828-S897 WeakPolarHBondContact O-CA 3.5Å; T829-S897 PolarHBondContact OG1-OG 3.47Å; T894-S897 PolarHBondContact O-N 2.74Å |
| 898 | M | 90.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 130.4 | -169.4 | -49.5 | -175.8 | -93 | 0 | 0 | 110.4 | R741 C751 V753 V759 L828 I830 V900 | R741-M898 PolarHBondContact NH1-SD 2.84Å; R741-M898 VanDerWaalsContact NH1-SD 3.36Å; R741-M898 PolarHBondContact NH2-SD 3.17Å; C751-M898 CarbonylContact O-C 3.56Å; C751-M898 WeakPolarHBondContact O-CA 3.35Å; V753-M898 HydrophobicContact CG2-CB 4.01Å; V753-M898 HydrophobicContact CG2-CG 4.3Å; V753-M898 HydrophobicContact CG2-SD 3.87Å; V759-M898 HydrophobicContact CB-CE 4.19Å; V759-M898 HydrophobicContact CB-SD 4.23Å; V759-M898 HydrophobicContact CG1-CE 3.79Å; V759-M898 HydrophobicContact CG1-SD 3.68Å; V759-M898 HydrophobicContact CG2-CE 3.92Å; V759-M898 HydrophobicContact CG2-SD 3.61Å; L828-M898 HydrophobicContact CB-CB 4.46Å; L828-M898 HydrophobicContact CD2-CE 3.46Å; L828-M898 VanDerWaalsContact CD2-CE 3.46Å; L828-M898 HydrophobicContact CG-CE 3.83Å; L828-M898 PolarHBondContact N-O 3.49Å; L828-M898 PolarHBondContact O-N 2.99Å; I830-M898 HydrophobicContact CD1-CE 3.97Å; I830-M898 HydrophobicContact CG1-CE 4.07Å; M898-V900 PolarHBondContact O-N 3.16Å |
| 899 | L | 91 | Very high | 85.8 | Confident | 67 Ų | 67 | 35.2 Ų | 35.2 | 35% | 0.351 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 106.8 | 172.7 | -168.8 | 75.7 | 0 | 0 | 0 | 108.4 | C751 K752 V753 A901 | C751-L899 PolarHBondContact O-N 3.34Å; K752-L899 CarbonylContact C-O 3.51Å; K752-L899 VanDerWaalsContact CA-O 3.28Å; K752-L899 WeakPolarHBondContact CA-O 3.14Å; K752-L899 HydrophobicContact CG-CB 4.46Å; K752-L899 HydrophobicContact CG-CD2 4.27Å; V753-L899 PolarHBondContact N-O 3.45Å; L899-A901 PolarHBondContact O-N 3.06Å |
| 900 | V | 90.9 | Very high | 86 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 108.3 | 175.4 | -170.7 | 0 | 0 | 0 | 0 | 109.1 | V753 V755 L784 P822 K824 Q825 G826 L828 M898 | V753-V900 CarbonylContact O-C 3.46Å; V753-V900 WeakPolarHBondContact O-CA 3.27Å; V755-V900 HydrophobicContact CB-CG1 4.13Å; V755-V900 HydrophobicContact CG2-CG1 4.36Å; L784-V900 HydrophobicContact CD1-CG2 4.22Å; P822-V900 HydrophobicContact CB-CB 4.39Å; P822-V900 HydrophobicContact CB-CG1 3.84Å; P822-V900 HydrophobicContact CB-CG2 3.66Å; P822-V900 HydrophobicContact CG-CG1 3.88Å; P822-V900 HydrophobicContact CG-CG2 3.87Å; K824-V900 VanDerWaalsContact O-CG1 3.31Å; K824-V900 WeakPolarHBondContact O-CG1 3.21Å; Q825-V900 WeakPolarHBondContact CA-O 3.48Å; Q825-V900 WeakPolarHBondContact CB-O 3.47Å; G826-V900 PolarHBondContact N-O 2.75Å; G826-V900 VanDerWaalsContact N-O 3.15Å; G826-V900 WeakPolarHBondContact O-CA 3.49Å; G826-V900 WeakPolarHBondContact O-CB 3.4Å; G826-V900 PolarHBondContact O-N 3.31Å; L828-V900 HydrophobicContact CB-CG2 3.66Å; L828-V900 HydrophobicContact CD2-CG2 4.45Å; M898-V900 PolarHBondContact O-N 3.16Å |
| 901 | A | 88.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 177.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V753 V755 L899 E1021 V1022 | V753-A901 PolarHBondContact O-N 3.23Å; V755-A901 PolarHBondContact N-O 2.83Å; L899-A901 PolarHBondContact O-N 3.06Å; A901-E1021 HydrophobicContact CB-CB 4.17Å; A901-V1022 HydrophobicContact CB-CG2 4.37Å |
| 902 | S | 87.3 | Confident | 86.7 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 13% | 0.126 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -59.4 | 168.7 | 172.9 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | P1019 E1021 | S902-P1019 PolarHBondContact OG-O 3.32Å; S902-E1021 PolarHBondContact OG-N 3.2Å |
| 903 | E | 84.3 | Confident | 87 | Confident | 78 Ų | 78 | 28.3 Ų | 28.3 | 36% | 0.364 | 16% | 0.155 | S | C | . | . | trans | -53.8 | 149.7 | 177.3 | -67.3 | -170.8 | 160.2 | 0 | 0 | 112.2 | V755 T935 L936 S1020 | V755-E903 HydrophobicContact CG1-CG 3.61Å; E903-T935 WeakPolarHBondContact OE2-CB 3.3Å; E903-T935 PolarHBondContact OE2-OG1 2.93Å; E903-L936 WeakPolarHBondContact O-CD1 3.19Å; E903-S1020 WeakPolarHBondContact O-CB 3.24Å; E903-S1020 PolarHBondContact O-OG 3.14Å | ||
| 904 | A | 82.8 | Confident | 86.9 | Confident | 10 Ų | 10 | 29.9 Ų | 29.9 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | trans | -131.8 | 153.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | P754 L906 V1022 | P754-A904 HydrophobicContact CB-CB 3.73Å; P754-A904 HydrophobicContact CG-CB 3.37Å; A904-L906 PolarHBondContact O-N 3.4Å; A904-V1022 HydrophobicContact CB-CB 3.99Å; A904-V1022 HydrophobicContact CB-CG1 4.33Å | ||
| 905 | P | 81.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -59.7 | 129.1 | 178 | 23.7 | -34.5 | 0 | 0 | 0 | 111.8 | V938 W1012 C1014 R1025 | P905-V938 HydrophobicContact CB-CG2 3.62Å; P905-W1012 PolarHBondContact O-NE1 2.85Å; P905-W1012 VanDerWaalsContact O-NE1 3.1Å; P905-C1014 HydrophobicContact CB-CB 4.47Å; P905-C1014 HydrophobicContact CG-CB 3.8Å; P905-R1025 HydrophobicContact CG-CG 4.33Å; P905-R1025 WeakPolarHBondContact O-CG 3.46Å | ||
| 906 | L | 85.5 | Confident | 86.2 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 20% | 0.204 | 21% | 0.214 | C | C | . | . | trans | -127.7 | 109.5 | -171.4 | -168 | 74.4 | 0 | 0 | 0 | 111.4 | I700 A904 N932 I933 G934 | I700-L906 HydrophobicContact CG2-CD1 3.22Å; I700-L906 HydrophobicContact CG2-CG 4.29Å; A904-L906 PolarHBondContact O-N 3.4Å; L906-N932 PolarHBondContact O-OD1 3.25Å; L906-I933 HydrophobicContact CB-CG1 4.32Å; L906-I933 HydrophobicContact CD2-CD1 3.56Å; L906-I933 HydrophobicContact CD2-CG1 3.69Å; L906-I933 HydrophobicContact CG-CD1 3.84Å; L906-I933 HydrophobicContact CG-CG1 3.73Å; L906-I933 PolarHBondContact O-N 3.09Å; L906-G934 PolarHBondContact O-N 2.97Å; L906-G934 VanDerWaalsContact O-N 3.16Å | ||
| 907 | L | 87.5 | Confident | 86 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.3 | 173.5 | -63.6 | -175 | 0 | 0 | 0 | 110.6 | F909 V930 S931 N932 V938 I941 W1012 | L907-F909 HydrophobicContact CB-CE2 3.75Å; L907-F909 HydrophobicContact CB-CZ 3.87Å; L907-F909 HydrophobicContact CD1-CZ 3.95Å; L907-V930 HydrophobicContact CB-CG1 4.37Å; L907-V930 HydrophobicContact CD1-CG1 3.83Å; L907-V930 HydrophobicContact CD2-CG1 4.45Å; L907-V930 HydrophobicContact CG-CG1 4.46Å; L907-S931 CarbonylContact C-O 3.54Å; L907-S931 WeakPolarHBondContact CA-O 3.22Å; L907-N932 HydrophobicContact CD2-CB 3.68Å; L907-V938 HydrophobicContact CD1-CG1 4.04Å; L907-V938 HydrophobicContact CD2-CB 4.25Å; L907-V938 HydrophobicContact CD2-CG1 4.38Å; L907-V938 HydrophobicContact CD2-CG2 3.83Å; L907-V938 HydrophobicContact CG-CG1 4.33Å; L907-V938 HydrophobicContact CG-CG2 4.18Å; L907-I941 HydrophobicContact CD1-CD1 3.76Å; L907-I941 HydrophobicContact CD1-CG1 4Å; L907-W1012 HydrophobicContact CB-CD2 4.37Å; L907-W1012 HydrophobicContact CB-CH2 4.43Å; L907-W1012 HydrophobicContact CB-CZ2 4.07Å; L907-W1012 HydrophobicContact CD1-CB 3.99Å; L907-W1012 HydrophobicContact CD1-CD2 3.81Å; L907-W1012 HydrophobicContact CD1-CE3 4.27Å; L907-W1012 HydrophobicContact CD1-CG 3.71Å; L907-W1012 HydrophobicContact CG-CD2 4.09Å; L907-W1012 HydrophobicContact CG-CG 4.14Å; L907-W1012 HydrophobicContact CG-CZ2 4.47Å |
| 908 | K | 87.6 | Confident | 85.9 | Confident | 64 Ų | 64 | 41.8 Ų | 41.8 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 136.5 | 167.1 | -176.3 | -179.5 | -177.3 | -127.4 | 0 | 109.2 | L701 D910 V930 S931 I933 | L701-K908 HydrophobicContact CD1-CB 4.2Å; L701-K908 HydrophobicContact CD1-CD 4.32Å; L701-K908 HydrophobicContact CD1-CG 3.82Å; K908-D910 WeakPolarHBondContact CE-OD1 3.35Å; K908-D910 IonicContact NZ-OD1 2.85Å; K908-D910 PolarHBondContact NZ-OD1 3.49Å; K908-D910 IonicContact NZ-OD2 3.2Å; K908-D910 PolarHBondContact NZ-OD2 3.17Å; K908-V930 WeakPolarHBondContact O-CA 3.13Å; K908-S931 PolarHBondContact N-O 2.86Å; K908-S931 PolarHBondContact O-N 2.81Å; K908-I933 HydrophobicContact CB-CD1 3.95Å; K908-I933 HydrophobicContact CB-CG1 4.09Å; K908-I933 HydrophobicContact CB-CG2 4.04Å |
| 909 | F | 87.6 | Confident | 85.8 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 106.1 | 179.2 | -61.4 | -92.1 | 0 | 0 | 0 | 109.9 | L907 I928 V930 F1010 W1012 F1027 | L907-F909 HydrophobicContact CB-CE2 3.75Å; L907-F909 HydrophobicContact CB-CZ 3.87Å; L907-F909 HydrophobicContact CD1-CZ 3.95Å; F909-I928 HydrophobicContact CD1-CG2 4.49Å; F909-V930 HydrophobicContact CD1-CB 4.43Å; F909-V930 HydrophobicContact CD1-CG1 4.07Å; F909-V930 HydrophobicContact CD1-CG2 3.78Å; F909-V930 HydrophobicContact CE1-CB 4.4Å; F909-V930 HydrophobicContact CE1-CG1 3.67Å; F909-V930 HydrophobicContact CE1-CG2 3.9Å; F909-V930 HydrophobicContact CZ-CG1 4.21Å; F909-F1010 HydrophobicContact CD1-CB 4.42Å; F909-F1010 AromaticContact CD1-CD1 3.69Å; F909-F1010 HydrophobicContact CD1-CD1 3.69Å; F909-F1010 HydrophobicContact CD1-CE1 4.06Å; F909-F1010 AromaticContact CD1-CG 3.99Å; F909-F1010 HydrophobicContact CD1-CG 3.99Å; F909-F1010 HydrophobicContact CE1-CB 3.74Å; F909-F1010 AromaticContact CE1-CD1 3.46Å; F909-F1010 HydrophobicContact CE1-CD1 3.46Å; F909-F1010 VanDerWaalsContact CE1-CD1 3.46Å; F909-F1010 HydrophobicContact CE1-CE1 4.25Å; F909-F1010 AromaticContact CE1-CG 3.73Å; F909-F1010 HydrophobicContact CE1-CG 3.73Å; F909-F1010 HydrophobicContact CE2-CB 4.33Å; F909-F1010 HydrophobicContact CZ-CB 3.69Å; F909-F1010 HydrophobicContact CZ-CD1 4.3Å; F909-F1010 HydrophobicContact CZ-CG 4.17Å; F909-W1012 HydrophobicContact CE2-CE3 4.15Å; F909-W1012 AromaticContact CE2-CH2 3.8Å; F909-W1012 HydrophobicContact CE2-CH2 3.8Å; F909-W1012 AromaticContact CE2-CZ3 3.51Å; F909-W1012 HydrophobicContact CE2-CZ3 3.51Å; F909-W1012 AromaticContact CZ-CE3 3.92Å; F909-W1012 HydrophobicContact CZ-CE3 3.92Å; F909-W1012 HydrophobicContact CZ-CH2 4.4Å; F909-W1012 AromaticContact CZ-CZ3 3.74Å; F909-W1012 HydrophobicContact CZ-CZ3 3.74Å; F909-F1027 HydrophobicContact CB-CD1 3.87Å; F909-F1027 HydrophobicContact CB-CE1 3.72Å; F909-F1027 HydrophobicContact CB-CZ 4.46Å; F909-F1027 HydrophobicContact CD1-CD1 4.34Å; F909-F1027 HydrophobicContact CD2-CB 3.8Å; F909-F1027 AromaticContact CD2-CD1 3.46Å; F909-F1027 HydrophobicContact CD2-CD1 3.46Å; F909-F1027 VanDerWaalsContact CD2-CD1 3.46Å; F909-F1027 HydrophobicContact CD2-CE1 4.16Å; F909-F1027 AromaticContact CD2-CG 3.68Å; F909-F1027 HydrophobicContact CD2-CG 3.68Å; F909-F1027 HydrophobicContact CE2-CB 3.66Å; F909-F1027 HydrophobicContact CE2-CD1 4.08Å; F909-F1027 HydrophobicContact CE2-CG 4.08Å; F909-F1027 AromaticContact CG-CD1 3.62Å; F909-F1027 HydrophobicContact CG-CD1 3.62Å; F909-F1027 HydrophobicContact CG-CE1 4.03Å; F909-F1027 HydrophobicContact CG-CG 4.32Å; F909-F1027 HydrophobicContact CZ-CB 4.45Å |
| 910 | D | 87.2 | Confident | 85.6 | Confident | 70 Ų | 70 | 42.7 Ų | 42.7 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 96.4 | 173.9 | -68.4 | -46.9 | 0 | 0 | 0 | 108.5 | K908 I928 V929 | K908-D910 WeakPolarHBondContact CE-OD1 3.35Å; K908-D910 IonicContact NZ-OD1 2.85Å; K908-D910 PolarHBondContact NZ-OD1 3.49Å; K908-D910 IonicContact NZ-OD2 3.2Å; K908-D910 PolarHBondContact NZ-OD2 3.17Å; D910-I928 WeakPolarHBondContact O-CA 3.11Å; D910-V929 HydrophobicContact CB-CB 4.25Å; D910-V929 PolarHBondContact N-O 3.3Å; D910-V929 PolarHBondContact O-N 2.96Å |
| 911 | L | 86.5 | Confident | 85.4 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.2 | -176.6 | -172.5 | 153.3 | 0 | 0 | 0 | 110.5 | Y913 A926 I928 L990 F1010 W1029 | L911-Y913 VanDerWaalsContact CD2-CB 3.46Å; L911-A926 HydrophobicContact CD2-CB 4.29Å; L911-I928 HydrophobicContact CB-CG1 4.35Å; L911-I928 HydrophobicContact CD1-CD1 3.6Å; L911-I928 HydrophobicContact CD1-CG1 3.72Å; L911-I928 HydrophobicContact CG-CD1 4.31Å; L911-I928 HydrophobicContact CG-CG1 3.85Å; L911-L990 HydrophobicContact CD1-CD2 4.37Å; L911-F1010 HydrophobicContact CD1-CZ 4.26Å; L911-W1029 HydrophobicContact CD1-CD2 3.84Å; L911-W1029 HydrophobicContact CD1-CE3 4.21Å; L911-W1029 HydrophobicContact CD1-CG 4.22Å; L911-W1029 HydrophobicContact CD1-CH2 4.42Å; L911-W1029 HydrophobicContact CD1-CZ2 4.11Å; L911-W1029 HydrophobicContact CD1-CZ3 4.47Å; L911-W1029 HydrophobicContact CD2-CD2 4.35Å; L911-W1029 VanDerWaalsContact CD2-CE2 3.46Å; L911-W1029 HydrophobicContact CD2-CH2 3.96Å; L911-W1029 HydrophobicContact CD2-CZ2 3.24Å; L911-W1029 HydrophobicContact CG-CZ2 4.33Å |
| 912 | A | 86.2 | Confident | 85.4 | Confident | 60 Ų | 60 | 44 Ų | 44 | 50% | 0.496 | 25% | 0.25 | S | S | . | . | trans | -96.7 | 109.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A926 P927 | A912-A926 WeakPolarHBondContact O-CA 3.44Å; A912-P927 HydrophobicContact CB-CG 4.09Å; A912-P927 PolarHBondContact N-O 2.88Å | ||
| 913 | Y | 85.6 | Confident | 85.4 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 18% | 0.18 | 25% | 0.248 | C | C | . | . | trans | -139.4 | 132.8 | 176.8 | 173 | -96.3 | 0 | 0 | 0 | 110.1 | L911 A915 Y918 I924 A926 I992 W1029 A1031 Y1033 | L911-Y913 VanDerWaalsContact CD2-CB 3.46Å; Y913-A915 HydrophobicContact CE1-CB 4.33Å; Y913-Y918 HydrophobicContact CE2-CE2 4.47Å; Y913-Y918 WeakPolarHBondContact OH-CE2 3.44Å; Y913-I924 HydrophobicContact CD2-CG2 4.27Å; Y913-I924 HydrophobicContact CE2-CD1 4.44Å; Y913-I924 HydrophobicContact CE2-CG2 4.06Å; Y913-A926 HydrophobicContact CD2-CB 4.33Å; Y913-I992 HydrophobicContact CD2-CD1 4.1Å; Y913-I992 HydrophobicContact CE2-CD1 3.97Å; Y913-W1029 HydrophobicContact CD1-CH2 4.25Å; Y913-W1029 AromaticContact CD1-CZ2 3.97Å; Y913-W1029 HydrophobicContact CD1-CZ2 3.97Å; Y913-W1029 HydrophobicContact CD2-CH2 4.12Å; Y913-W1029 HydrophobicContact CD2-CZ2 4.45Å; Y913-W1029 AromaticContact CG-CH2 3.92Å; Y913-W1029 HydrophobicContact CG-CH2 3.92Å; Y913-W1029 AromaticContact CG-CZ2 3.8Å; Y913-W1029 HydrophobicContact CG-CZ2 3.8Å; Y913-A1031 HydrophobicContact CD1-CB 3.89Å; Y913-A1031 HydrophobicContact CE1-CB 3.47Å; Y913-A1031 VanDerWaalsContact CE1-CB 3.47Å; Y913-Y1033 WeakPolarHBondContact OH-CB 3.05Å | ||
| 914 | A | 81 | Confident | 85.5 | Confident | 61 Ų | 61 | 40.8 Ų | 40.8 | 50% | 0.504 | 23% | 0.234 | S | C | . | . | trans | -89.9 | 123 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y918 | A914-Y918 PolarHBondContact O-OH 3.05Š| ||
| 915 | A | 76.3 | Confident | 85.7 | Confident | 81 Ų | 81 | 43.1 Ų | 43.1 | 67% | 0.669 | 25% | 0.249 | S | C | * | . | trans | -74.9 | 142.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y913 | Y913-A915 HydrophobicContact CE1-CB 4.33Š| ||
| 916 | G | 82.7 | Confident | 86 | Confident | 31 Ų | 31 | 43.1 Ų | 43.1 | 32% | 0.32 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 175.4 | -169 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | T1034 | G916-T1034 PolarHBondContact O-N 3.4Å; G916-T1034 VanDerWaalsContact O-N 3.1Å; G916-T1034 PolarHBondContact O-OG1 3.24Å |
| 917 | K | 85.1 | Confident | 86.1 | Confident | 168 Ų | 168 | 44.3 Ų | 44.3 | 73% | 0.73 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 123.8 | 169.6 | -76.6 | 174.2 | 179.9 | -173.9 | 0 | 108.8 | T1034 | K917-T1034 WeakPolarHBondContact CA-O 2.83Å; K917-T1034 WeakPolarHBondContact CG-OG1 3.04Å |
| 918 | Y | 88.2 | Confident | 86.2 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 11% | 0.106 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150.3 | 178.8 | -66.6 | -69.4 | 0 | 0 | 0 | 110.2 | Y913 A914 I924 Y1033 T1034 V1035 V1036 | Y913-Y918 HydrophobicContact CE2-CE2 4.47Å; Y913-Y918 WeakPolarHBondContact OH-CE2 3.44Å; A914-Y918 PolarHBondContact O-OH 3.05Å; Y918-I924 HydrophobicContact CD1-CD1 3.67Å; Y918-I924 HydrophobicContact CD1-CG1 3.87Å; Y918-I924 HydrophobicContact CD2-CD1 3.55Å; Y918-I924 HydrophobicContact CE1-CD1 3.69Å; Y918-I924 HydrophobicContact CE1-CG1 3.8Å; Y918-I924 HydrophobicContact CE2-CD1 3.59Å; Y918-I924 HydrophobicContact CG-CD1 3.58Å; Y918-I924 HydrophobicContact CG-CG1 4.26Å; Y918-Y1033 HydrophobicContact CD2-CD2 4.37Å; Y918-Y1033 HydrophobicContact CD2-CG 4.34Å; Y918-T1034 PolarHBondContact N-O 3.45Å; Y918-V1035 CarbonylContact O-C 3.53Å; Y918-V1035 VanDerWaalsContact O-CA 3.26Å; Y918-V1035 WeakPolarHBondContact O-CA 3.43Å; Y918-V1036 WeakPolarHBondContact O-CG2 3.46Å; Y918-V1036 PolarHBondContact O-N 3.18Å |
| 919 | F | 87.4 | Confident | 86.4 | Confident | 22 Ų | 22 | 43.9 Ų | 43.9 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 144.5 | 170.5 | -72.8 | -69.7 | 0 | 0 | 0 | 110.3 | D921 Q922 V1036 C1074 M1076 W1169 T1171 M1173 L1183 | F919-D921 PolarHBondContact O-N 3.21Å; F919-Q922 HydrophobicContact CB-CB 4.04Å; F919-Q922 WeakPolarHBondContact O-CB 3.33Å; F919-Q922 PolarHBondContact O-N 3.42Å; F919-V1036 CarbonylContact C-O 3.57Å; F919-V1036 WeakPolarHBondContact CA-O 3.43Å; F919-V1036 HydrophobicContact CD1-CG2 3.54Å; F919-V1036 HydrophobicContact CE1-CG2 3.81Å; F919-V1036 HydrophobicContact CG-CG2 4.15Å; F919-C1074 HydrophobicContact CZ-CB 4.38Å; F919-M1076 HydrophobicContact CD1-CE 4.22Å; F919-M1076 HydrophobicContact CG-CE 4.37Å; F919-W1169 HydrophobicContact CB-CH2 3.88Å; F919-T1171 HydrophobicContact CD2-CG2 4.41Å; F919-T1171 HydrophobicContact CE2-CG2 4.29Å; F919-M1173 HydrophobicContact CE2-SD 4.42Å; F919-L1183 HydrophobicContact CD2-CD1 3.88Å; F919-L1183 HydrophobicContact CE2-CD1 3.91Å |
| 920 | E | 87.7 | Confident | 86.5 | Confident | 64 Ų | 64 | 43.1 Ų | 43.1 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 136.7 | 172.5 | -170 | 166.2 | -159.3 | 0 | 0 | 109.1 | Q922 A994 V1035 V1036 S1038 W1169 | E920-Q922 PolarHBondContact O-N 3.06Å; E920-Q922 VanDerWaalsContact O-N 3.08Å; E920-A994 CarbonylContact C-O 3.58Å; E920-V1035 HydrophobicContact CB-CG1 3.44Å; E920-V1035 VanDerWaalsContact CB-CG1 3.44Å; E920-V1035 HydrophobicContact CG-CG1 3.92Å; E920-V1036 PolarHBondContact N-O 2.83Å; E920-S1038 WeakPolarHBondContact CB-OG 3.48Å; E920-S1038 VanDerWaalsContact O-CB 3.3Å; E920-S1038 WeakPolarHBondContact O-CB 3.28Å; E920-S1038 PolarHBondContact O-OG 3.27Å; E920-W1169 VanDerWaalsContact O-CZ2 3.27Å; E920-W1169 WeakPolarHBondContact O-CZ2 3.48Å |
| 921 | D | 87.6 | Confident | 86.7 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 9.7 | -173.8 | -63.9 | -40 | 0 | 0 | 0 | 116.4 | F919 R993 A994 W1169 G1185 E1186 T1187 | F919-D921 PolarHBondContact O-N 3.21Å; D921-R993 HydrophobicContact CB-CG 4.48Å; D921-R993 IonicContact OD1-NE 3.02Å; D921-A994 PolarHBondContact N-O 3.08Å; D921-W1169 HydrophobicContact CB-CZ2 4.39Å; D921-G1185 CarbonylContact O-C 3.59Å; D921-G1185 WeakPolarHBondContact O-CA 3.46Å; D921-E1186 WeakPolarHBondContact CB-O 3.4Å; D921-E1186 PolarHBondContact O-N 2.8Å; D921-T1187 VanDerWaalsContact OD2-CA 3.24Å; D921-T1187 WeakPolarHBondContact OD2-CA 3.22Å; D921-T1187 WeakPolarHBondContact OD2-CB 3.44Å; D921-T1187 WeakPolarHBondContact OD2-CG2 3.35Å; D921-T1187 PolarHBondContact OD2-OG1 3.01Å |
| 922 | Q | 88.4 | Confident | 86.9 | Confident | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.065 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -63.2 | 137.2 | 171.8 | -174.7 | 179.6 | -16.3 | 0 | 0 | 110.9 | F919 E920 R993 A994 W1169 | F919-Q922 HydrophobicContact CB-CB 4.04Å; F919-Q922 WeakPolarHBondContact O-CB 3.33Å; F919-Q922 PolarHBondContact O-N 3.42Å; E920-Q922 PolarHBondContact O-N 3.06Å; E920-Q922 VanDerWaalsContact O-N 3.08Å; Q922-R993 WeakPolarHBondContact O-CA 3.4Å; Q922-A994 HydrophobicContact CB-CB 4.38Å; Q922-A994 PolarHBondContact O-N 3.35Å; Q922-W1169 HydrophobicContact CB-CH2 4.16Å |
| 923 | I | 87.4 | Confident | 87 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 8% | 0.077 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 123.6 | 175.4 | -69.4 | 170 | 0 | 0 | 0 | 109.6 | W991 I992 F1147 F1154 F1184 E1186 | I923-W991 HydrophobicContact CG2-CE3 3.64Å; I923-W991 HydrophobicContact CG2-CZ3 4.16Å; I923-I992 WeakPolarHBondContact CA-O 3.29Å; I923-F1147 HydrophobicContact CB-CE2 4.22Å; I923-F1147 HydrophobicContact CD1-CE2 3.4Å; I923-F1147 HydrophobicContact CD1-CZ 3.55Å; I923-F1147 HydrophobicContact CG1-CE2 4.37Å; I923-F1147 HydrophobicContact CG2-CE2 4.25Å; I923-F1154 HydrophobicContact CD1-CE2 3.66Å; I923-F1154 HydrophobicContact CD1-CZ 4.22Å; I923-F1154 HydrophobicContact CG1-CE2 3.98Å; I923-F1154 HydrophobicContact CG1-CZ 4.05Å; I923-F1184 PolarHBondContact N-O 3.28Å; I923-E1186 HydrophobicContact CD1-CB 3.66Å |
| 924 | I | 86.6 | Confident | 86.9 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.4 | -178.1 | -53.9 | 159.8 | 0 | 0 | 0 | 108.1 | Y913 Y918 W991 I992 A994 | Y913-I924 HydrophobicContact CD2-CG2 4.27Å; Y913-I924 HydrophobicContact CE2-CD1 4.44Å; Y913-I924 HydrophobicContact CE2-CG2 4.06Å; Y918-I924 HydrophobicContact CD1-CD1 3.67Å; Y918-I924 HydrophobicContact CD1-CG1 3.87Å; Y918-I924 HydrophobicContact CD2-CD1 3.55Å; Y918-I924 HydrophobicContact CE1-CD1 3.69Å; Y918-I924 HydrophobicContact CE1-CG1 3.8Å; Y918-I924 HydrophobicContact CE2-CD1 3.59Å; Y918-I924 HydrophobicContact CG-CD1 3.58Å; Y918-I924 HydrophobicContact CG-CG1 4.26Å; I924-W991 WeakPolarHBondContact O-CA 3.49Å; I924-I992 HydrophobicContact CB-CB 4.32Å; I924-I992 PolarHBondContact N-O 2.92Å; I924-I992 PolarHBondContact O-N 2.84Å; I924-A994 HydrophobicContact CD1-CB 4.16Å |
| 925 | S | 85.4 | Confident | 87 | Confident | 59 Ų | 59 | 39.5 Ų | 39.5 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.7 | 171.6 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | T989 | S925-T989 VanDerWaalsContact OG-CG2 3.27Å; S925-T989 WeakPolarHBondContact OG-CG2 3.3Å |
| 926 | A | 88.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 99.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | L911 A912 Y913 L990 I992 | L911-A926 HydrophobicContact CD2-CB 4.29Å; A912-A926 WeakPolarHBondContact O-CA 3.44Å; Y913-A926 HydrophobicContact CD2-CB 4.33Å; A926-L990 HydrophobicContact CB-CB 4.24Å; A926-L990 PolarHBondContact N-O 2.66Å; A926-L990 PolarHBondContact O-N 2.56Å; A926-I992 HydrophobicContact CB-CD1 4.44Å |
| 927 | P | 88.2 | Confident | 87.7 | Confident | 64 Ų | 64 | 37.2 Ų | 37.2 | 42% | 0.416 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 141.5 | 175.4 | 27.4 | -31.4 | 0 | 0 | 0 | 110.2 | A912 | A912-P927 HydrophobicContact CB-CG 4.09Å; A912-P927 PolarHBondContact N-O 2.88Å |
| 928 | I | 89.5 | Confident | 87.8 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124.6 | -178.4 | -49.3 | 179.1 | 0 | 0 | 0 | 108.3 | F909 D910 L911 V930 L988 L990 F1010 | F909-I928 HydrophobicContact CD1-CG2 4.49Å; D910-I928 WeakPolarHBondContact O-CA 3.11Å; L911-I928 HydrophobicContact CB-CG1 4.35Å; L911-I928 HydrophobicContact CD1-CD1 3.6Å; L911-I928 HydrophobicContact CD1-CG1 3.72Å; L911-I928 HydrophobicContact CG-CD1 4.31Å; L911-I928 HydrophobicContact CG-CG1 3.85Å; I928-V930 HydrophobicContact CG2-CG2 3.84Å; I928-L988 HydrophobicContact CB-CB 4.32Å; I928-L988 PolarHBondContact N-O 3.06Å; I928-L988 PolarHBondContact O-N 2.85Å; I928-L990 HydrophobicContact CD1-CB 3.68Å; I928-L990 HydrophobicContact CD1-CD2 4.42Å; I928-L990 HydrophobicContact CG1-CB 4.3Å; I928-F1010 HydrophobicContact CD1-CE1 3.86Å; I928-F1010 HydrophobicContact CD1-CZ 3.79Å |
| 929 | V | 90.7 | Very high | 87.4 | Confident | 54 Ų | 54 | 29.4 Ų | 29.4 | 33% | 0.327 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.8 | 166.3 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | D910 | D910-V929 HydrophobicContact CB-CB 4.25Å; D910-V929 PolarHBondContact N-O 3.3Å; D910-V929 PolarHBondContact O-N 2.96Å |
| 930 | V | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.9 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 108 | L907 K908 F909 I928 I941 I980 S985 I986 L988 | L907-V930 HydrophobicContact CB-CG1 4.37Å; L907-V930 HydrophobicContact CD1-CG1 3.83Å; L907-V930 HydrophobicContact CD2-CG1 4.45Å; L907-V930 HydrophobicContact CG-CG1 4.46Å; K908-V930 WeakPolarHBondContact O-CA 3.13Å; F909-V930 HydrophobicContact CD1-CB 4.43Å; F909-V930 HydrophobicContact CD1-CG1 4.07Å; F909-V930 HydrophobicContact CD1-CG2 3.78Å; F909-V930 HydrophobicContact CE1-CB 4.4Å; F909-V930 HydrophobicContact CE1-CG1 3.67Å; F909-V930 HydrophobicContact CE1-CG2 3.9Å; F909-V930 HydrophobicContact CZ-CG1 4.21Å; I928-V930 HydrophobicContact CG2-CG2 3.84Å; V930-I941 HydrophobicContact CG1-CD1 4.29Å; V930-I980 HydrophobicContact CG1-CD1 4.35Å; V930-S985 CarbonylContact O-C 3.54Å; V930-S985 WeakPolarHBondContact O-CA 3.5Å; V930-I986 HydrophobicContact CB-CD1 4.41Å; V930-I986 HydrophobicContact CB-CG1 3.76Å; V930-I986 HydrophobicContact CG2-CG1 4.34Å; V930-I986 PolarHBondContact N-O 2.87Å; V930-I986 PolarHBondContact O-N 3Å; V930-L988 HydrophobicContact CG2-CD1 3.95Å |
| 931 | S | 90.5 | Very high | 87.2 | Confident | 18 Ų | 18 | 31.2 Ų | 31.2 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.9 | -176.1 | -54.9 | 0 | 0 | 0 | 0 | 111 | L907 K908 I933 S985 | L907-S931 CarbonylContact C-O 3.54Å; L907-S931 WeakPolarHBondContact CA-O 3.22Å; K908-S931 PolarHBondContact N-O 2.86Å; K908-S931 PolarHBondContact O-N 2.81Å; S931-I933 PolarHBondContact O-N 3.12Å; S931-S985 VanDerWaalsContact CB-OG 3.29Å; S931-S985 WeakPolarHBondContact CB-OG 3.23Å; S931-S985 PolarHBondContact OG-OG 3.01Å |
| 932 | N | 90.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 102.8 | 171.3 | -174.2 | -0.5 | 0 | 0 | 0 | 109.9 | L906 L907 G934 L936 I980 N981 A982 G983 E984 | L906-N932 PolarHBondContact O-OD1 3.25Å; L907-N932 HydrophobicContact CD2-CB 3.68Å; N932-G934 PolarHBondContact OD1-N 2.76Å; N932-L936 PolarHBondContact ND2-O 3.22Å; N932-I980 HydrophobicContact CB-CB 4.39Å; N932-I980 HydrophobicContact CB-CG2 3.63Å; N932-I980 PolarHBondContact ND2-O 3.44Å; N932-N981 WeakPolarHBondContact CB-O 3.29Å; N932-N981 PolarHBondContact ND2-O 3.3Å; N932-A982 PolarHBondContact ND2-N 3.09Å; N932-G983 WeakPolarHBondContact O-CA 3.45Å; N932-G983 PolarHBondContact O-N 2.78Å; N932-E984 PolarHBondContact N-O 2.84Å |
| 933 | I | 88.7 | Confident | 87.5 | Confident | 79 Ų | 79 | 29.8 Ų | 29.8 | 41% | 0.405 | 17% | 0.169 | S | C | . | . | trans | -95.9 | 0.8 | 178.5 | 55.3 | 159.3 | 0 | 0 | 0 | 112.2 | L701 L906 K908 S931 | L701-I933 HydrophobicContact CD1-CD1 4.21Å; L701-I933 HydrophobicContact CD2-CD1 4.01Å; L701-I933 HydrophobicContact CG-CD1 4.48Å; L906-I933 HydrophobicContact CB-CG1 4.32Å; L906-I933 HydrophobicContact CD2-CD1 3.56Å; L906-I933 HydrophobicContact CD2-CG1 3.69Å; L906-I933 HydrophobicContact CG-CD1 3.84Å; L906-I933 HydrophobicContact CG-CG1 3.73Å; L906-I933 PolarHBondContact O-N 3.09Å; K908-I933 HydrophobicContact CB-CD1 3.95Å; K908-I933 HydrophobicContact CB-CG1 4.09Å; K908-I933 HydrophobicContact CB-CG2 4.04Å; S931-I933 PolarHBondContact O-N 3.12Å | ||
| 934 | G | 83.9 | Confident | 87.6 | Confident | 14 Ų | 14 | 29 Ų | 29 | 14% | 0.144 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -86.4 | 178.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L906 N932 A982 | L906-G934 PolarHBondContact O-N 2.97Å; L906-G934 VanDerWaalsContact O-N 3.16Å; N932-G934 PolarHBondContact OD1-N 2.76Å; G934-A982 WeakPolarHBondContact O-CB 3.47Å |
| 935 | T | 83.8 | Confident | 87.6 | Confident | 84 Ų | 84 | 28.6 Ų | 28.6 | 52% | 0.515 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -90.8 | -18.3 | 175.8 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | E903 | E903-T935 WeakPolarHBondContact OE2-CB 3.3Å; E903-T935 PolarHBondContact OE2-OG1 2.93Å |
| 936 | L | 86.6 | Confident | 87.2 | Confident | 24 Ų | 24 | 28 Ų | 28 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -101.5 | 141.1 | -175.5 | -61.6 | 178.7 | 0 | 0 | 0 | 111.9 | E903 N932 | E903-L936 WeakPolarHBondContact O-CD1 3.19Å; N932-L936 PolarHBondContact ND2-O 3.22Å |
| 937 | P | 87 | Confident | 86.5 | Confident | 40 Ų | 40 | 30.2 Ų | 30.2 | 26% | 0.26 | 18% | 0.175 | S | C | . | . | trans | -68.3 | 140.6 | 172.9 | 22.1 | -24.8 | 0 | 0 | 0 | 111.7 | T979 S1015 | P937-T979 HydrophobicContact CB-CG2 4.13Å; P937-S1015 WeakPolarHBondContact CG-OG 3.27Å; P937-S1015 PolarHBondContact O-N 3.31Å; P937-S1015 PolarHBondContact O-OG 3.34Å | ||
| 938 | V | 87.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.8 | -176.9 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | P905 L907 I941 T979 I980 W1012 C1013 | P905-V938 HydrophobicContact CB-CG2 3.62Å; L907-V938 HydrophobicContact CD1-CG1 4.04Å; L907-V938 HydrophobicContact CD2-CB 4.25Å; L907-V938 HydrophobicContact CD2-CG1 4.38Å; L907-V938 HydrophobicContact CD2-CG2 3.83Å; L907-V938 HydrophobicContact CG-CG1 4.33Å; L907-V938 HydrophobicContact CG-CG2 4.18Å; V938-I941 HydrophobicContact CG1-CG1 4.33Å; V938-T979 CarbonylContact O-C 3.53Å; V938-T979 VanDerWaalsContact O-CA 3.3Å; V938-T979 WeakPolarHBondContact O-CA 3.49Å; V938-I980 PolarHBondContact N-O 3.47Å; V938-I980 PolarHBondContact O-N 3.04Å; V938-W1012 HydrophobicContact CG1-CB 3.68Å; V938-W1012 HydrophobicContact CG1-CG 3.88Å; V938-C1013 WeakPolarHBondContact CG1-O 3.23Å |
| 939 | D | 79.9 | Confident | 84.5 | Confident | 31 Ų | 31 | 29 Ų | 29 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 144.6 | 174.7 | -78.6 | -12.5 | 0 | 0 | 0 | 110.6 | T979 C1013 S1015 | D939-T979 WeakPolarHBondContact OD1-CB 3Å; D939-T979 WeakPolarHBondContact OD1-CG2 3.38Å; D939-T979 PolarHBondContact OD1-OG1 3.36Å; D939-C1013 PolarHBondContact N-O 2.92Å; D939-C1013 CarbonylContact O-C 3.54Å; D939-C1013 PolarHBondContact O-N 2.8Å; D939-C1013 VanDerWaalsContact O-N 3.16Å; D939-S1015 WeakPolarHBondContact OD2-CA 3.42Å; D939-S1015 WeakPolarHBondContact OD2-CB 3.48Å |
| 940 | R | 81.4 | Confident | 84 | Confident | 119 Ų | 119 | 27.2 Ų | 27.2 | 45% | 0.449 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.8 | 92.8 | 170.7 | -64.5 | -170.3 | 177.7 | -169.2 | -3.8 | 114.3 | A728 | A728-R940 PolarHBondContact O-NH1 2.9Å |
| 941 | I | 88.8 | Confident | 83.7 | Confident | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 121.4 | 171.8 | -61.1 | 164 | 0 | 0 | 0 | 108.9 | L907 V930 V938 I943 V976 I980 I986 F1011 W1012 | L907-I941 HydrophobicContact CD1-CD1 3.76Å; L907-I941 HydrophobicContact CD1-CG1 4Å; V930-I941 HydrophobicContact CG1-CD1 4.29Å; V938-I941 HydrophobicContact CG1-CG1 4.33Å; I941-I943 HydrophobicContact CG2-CG1 4.4Å; I941-V976 HydrophobicContact CB-CB 4.29Å; I941-V976 HydrophobicContact CB-CG2 4.44Å; I941-V976 HydrophobicContact CG2-CG2 4.29Å; I941-V976 PolarHBondContact O-N 2.86Å; I941-I980 HydrophobicContact CD1-CD1 3.34Å; I941-I980 HydrophobicContact CD1-CG1 4.11Å; I941-I986 HydrophobicContact CD1-CD1 4.14Å; I941-F1011 CarbonylContact C-O 3.59Å; I941-F1011 WeakPolarHBondContact CA-O 3.11Å; I941-W1012 HydrophobicContact CG1-CB 4.02Å |
| 942 | C | 90.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.7 | 173.4 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | C724 V973 Y974 F1011 | C724-C942 HydrophobicContact CB-CB 4.01Å; C942-V973 HydrophobicContact CB-CG1 3.84Å; C942-Y974 CarbonylContact C-O 3.45Å; C942-Y974 VanDerWaalsContact CA-O 3.22Å; C942-Y974 WeakPolarHBondContact CA-O 3.38Å; C942-F1011 HydrophobicContact CB-CB 4.29Å; C942-F1011 HydrophobicContact CB-CD1 4.44Å; C942-F1011 PolarHBondContact N-O 3.07Å; C942-F1011 PolarHBondContact O-N 3.31Å |
| 943 | I | 90.7 | Very high | 83 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.7 | 175.6 | -58.3 | 172.5 | 0 | 0 | 0 | 108.7 | I941 V953 V973 Y974 V976 L988 V1008 L1009 F1010 | I941-I943 HydrophobicContact CG2-CG1 4.4Å; I943-V953 HydrophobicContact CB-CG2 4.33Å; I943-V953 HydrophobicContact CD1-CG1 4.03Å; I943-V953 HydrophobicContact CD1-CG2 4.43Å; I943-V953 HydrophobicContact CG2-CG2 4.03Å; I943-V973 WeakPolarHBondContact O-CA 3.36Å; I943-Y974 PolarHBondContact N-O 3.47Å; I943-Y974 PolarHBondContact O-N 2.81Å; I943-V976 HydrophobicContact CD1-CG2 3.95Å; I943-V976 HydrophobicContact CG1-CG2 4.37Å; I943-L988 HydrophobicContact CD1-CD1 3.88Å; I943-V1008 HydrophobicContact CG2-CG1 3.64Å; I943-L1009 CarbonylContact C-O 3.57Å; I943-L1009 WeakPolarHBondContact CA-O 3.29Å; I943-F1010 HydrophobicContact CD1-CD1 3.82Å; I943-F1010 HydrophobicContact CD1-CE1 3.75Å; I943-F1010 HydrophobicContact CG1-CD1 3.68Å; I943-F1010 HydrophobicContact CG1-CE1 4.04Å; I943-F1010 HydrophobicContact CG2-CD1 4.43Å; I943-F1010 HydrophobicContact CG2-CE1 4.3Å |
| 944 | C | 90.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 144.7 | 179.8 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | M720 C724 V1008 L1009 | M720-C944 HydrophobicContact CB-CB 4.45Å; M720-C944 VanDerWaalsContact CE-C 3.42Å; M720-C944 HydrophobicContact CE-CB 4.1Å; M720-C944 WeakPolarHBondContact CE-O 3.43Å; C724-C944 WeakPolarHBondContact SG-CB 3.31Å; C944-V1008 CarbonylContact O-C 3.57Å; C944-V1008 WeakPolarHBondContact O-CA 3.34Å; C944-L1009 PolarHBondContact N-O 2.84Å; C944-L1009 PolarHBondContact O-N 3.27Å |
| 945 | A | 86.7 | Confident | 82.4 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 149.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | S947 V951 R1007 V1008 | A945-S947 VanDerWaalsContact C-N 3.3Å; A945-S947 PolarHBondContact O-N 2.76Å; A945-V951 HydrophobicContact CB-CB 3.75Å; A945-V951 HydrophobicContact CB-CG1 3.97Å; A945-V951 HydrophobicContact CB-CG2 3.68Å; A945-R1007 CarbonylContact C-O 3.52Å; A945-R1007 VanDerWaalsContact CA-O 3.3Å; A945-R1007 WeakPolarHBondContact CA-O 3.42Å; A945-V1008 HydrophobicContact CB-CG2 4.31Å |
| 946 | S | 76.8 | Confident | 81.5 | Confident | 47 Ų | 47 | 24 Ų | 24 | 33% | 0.329 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -69.8 | -25.8 | -179.8 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | R1007 | S946-R1007 PolarHBondContact N-O 2.79Å; S946-R1007 WeakPolarHBondContact OG-CB 3.49Å; S946-R1007 PolarHBondContact OG-N 2.91Å |
| 947 | S | 74.7 | Confident | 80.2 | Confident | 46 Ų | 46 | 26.2 Ų | 26.2 | 32% | 0.322 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -109.5 | 76.9 | 170.5 | -169.5 | 0 | 0 | 0 | 0 | 109.1 | A945 A949 N950 | A945-S947 VanDerWaalsContact C-N 3.3Å; A945-S947 PolarHBondContact O-N 2.76Å; S947-A949 PolarHBondContact O-N 2.8Å; S947-N950 PolarHBondContact O-N 3.48Å; S947-N950 PolarHBondContact OG-ND2 3.36Å |
| 948 | A | 65 | Low | 78.4 | Confident | 12 Ų | 12 | 28.5 Ų | 28.5 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -54.5 | -29.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N950 V972 P1155 | A948-N950 VanDerWaalsContact C-N 3.34Å; A948-N950 PolarHBondContact O-N 3.13Å; A948-V972 HydrophobicContact CB-CB 3.95Å; A948-V972 HydrophobicContact CB-CG2 3.75Å; A948-P1155 WeakPolarHBondContact O-CG 3.49Å |
| 949 | A | 69.9 | Low | 76.2 | Confident | 29 Ų | 29 | 33 Ų | 33 | 24% | 0.24 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -76.7 | -13.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S947 A1156 | S947-A949 PolarHBondContact O-N 2.8Å; A949-A1156 HydrophobicContact CB-CB 4.24Å |
| 950 | N | 80.2 | Confident | 74.9 | Confident | 16 Ų | 16 | 34 Ų | 34 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -119 | 7 | -169.4 | -61.2 | -20.9 | 0 | 0 | 0 | 113.7 | S947 A948 R993 V995 F1154 | S947-N950 PolarHBondContact O-N 3.48Å; S947-N950 PolarHBondContact OG-ND2 3.36Å; A948-N950 VanDerWaalsContact C-N 3.34Å; A948-N950 PolarHBondContact O-N 3.13Å; N950-R993 HydrophobicContact CB-CB 4.28Å; N950-R993 PolarHBondContact O-N 2.86Å; N950-R993 PolarHBondContact OD1-NE 3.37Å; N950-R993 PolarHBondContact OD1-NH2 2.86Å; N950-V995 HydrophobicContact CB-CG2 4.43Å; N950-V995 WeakPolarHBondContact ND2-CB 3.42Å; N950-V995 WeakPolarHBondContact ND2-CG2 3.41Å; N950-F1154 VanDerWaalsContact C-CD1 3.47Å; N950-F1154 VanDerWaalsContact O-CE1 3.29Å; N950-F1154 WeakPolarHBondContact O-CE1 3.18Å |
| 951 | V | 84.1 | Confident | 73.5 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.4 | 179.8 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | A945 Y974 L990 W991 L1006 | A945-V951 HydrophobicContact CB-CB 3.75Å; A945-V951 HydrophobicContact CB-CG1 3.97Å; A945-V951 HydrophobicContact CB-CG2 3.68Å; V951-Y974 PolarHBondContact O-OH 2.83Å; V951-L990 HydrophobicContact CG1-CD1 3.31Å; V951-L990 HydrophobicContact CG1-CG 4.22Å; V951-W991 WeakPolarHBondContact CA-O 3.37Å; V951-L1006 HydrophobicContact CG2-CD1 3.77Å; V951-L1006 HydrophobicContact CG2-CD2 4.38Å |
| 952 | A | 83.1 | Confident | 72.1 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y974 W991 F1154 | A952-Y974 WeakPolarHBondContact CA-OH 2.99Å; A952-W991 HydrophobicContact CB-CB 4.28Å; A952-W991 PolarHBondContact N-O 2.83Å; A952-W991 PolarHBondContact O-N 3.29Å; A952-F1154 HydrophobicContact CB-CD1 4.26Å; A952-F1154 HydrophobicContact CB-CE1 4.29Å |
| 953 | V | 84.3 | Confident | 71.4 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.5 | 178.5 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | I943 I963 Y974 L990 | I943-V953 HydrophobicContact CB-CG2 4.33Å; I943-V953 HydrophobicContact CD1-CG1 4.03Å; I943-V953 HydrophobicContact CD1-CG2 4.43Å; I943-V953 HydrophobicContact CG2-CG2 4.03Å; V953-I963 HydrophobicContact CG1-CD1 3.99Å; V953-Y974 HydrophobicContact CB-CD1 3.96Å; V953-Y974 HydrophobicContact CB-CD2 4.21Å; V953-Y974 HydrophobicContact CB-CE1 4.49Å; V953-Y974 HydrophobicContact CB-CG 3.84Å; V953-Y974 HydrophobicContact CG2-CD1 4.32Å; V953-Y974 HydrophobicContact CG2-CD2 3.65Å; V953-Y974 HydrophobicContact CG2-CE2 4.11Å; V953-Y974 HydrophobicContact CG2-CG 3.78Å; V953-L990 HydrophobicContact CG2-CD1 3.88Å |
| 954 | T | 81.9 | Confident | 70.5 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 15% | 0.153 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 152.2 | 179.1 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | L988 T989 W991 V1151 | T954-L988 WeakPolarHBondContact O-CA 3.37Å; T954-T989 PolarHBondContact N-O 2.81Å; T954-T989 PolarHBondContact O-N 2.98Å; T954-T989 PolarHBondContact OG1-O 3.09Å; T954-W991 PolarHBondContact OG1-NE1 2.89Å; T954-V1151 HydrophobicContact CG2-CG1 4.37Å; T954-V1151 VanDerWaalsContact CG2-O 3.24Å; T954-V1151 WeakPolarHBondContact CG2-O 3.38Å |
| 955 | G | 77 | Confident | 70 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 156.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S957 | G955-S957 PolarHBondContact O-N 2.84Å; G955-S957 VanDerWaalsContact O-N 3.17Å |
| 956 | A | 65.8 | Low | 69.7 | Low | 69 Ų | 69 | 56.8 Ų | 56.8 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -67.2 | -11.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N987 | A956-N987 HydrophobicContact CB-CB 3.65Å; A956-N987 PolarHBondContact N-O 2.85Å |
| 957 | S | 58.9 | Low | 69.8 | Low | 70 Ų | 70 | 57.4 Ų | 57.4 | 49% | 0.49 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -136.3 | 136.1 | 179.8 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | G955 A959 S960 | G955-S957 PolarHBondContact O-N 2.84Å; G955-S957 VanDerWaalsContact O-N 3.17Å; S957-A959 PolarHBondContact O-N 2.75Å; S957-A959 PolarHBondContact OG-N 2.92Å; S957-S960 WeakPolarHBondContact O-CB 3.24Å; S957-S960 PolarHBondContact O-N 2.88Å; S957-S960 PolarHBondContact O-OG 2.74Å |
| 958 | A | 48.6 | Very low | 69.9 | Low | 88 Ų | 88 | 57.2 Ų | 57.2 | 73% | 0.727 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 959 | A | 42.8 | Very low | 70.3 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 78% | 0.777 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -6.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S957 | S957-A959 PolarHBondContact O-N 2.75Å; S957-A959 PolarHBondContact OG-N 2.92Å |
| 960 | S | 51.6 | Low | 70.4 | Confident | 54 Ų | 54 | 61 Ų | 61 | 38% | 0.378 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -76.7 | 148.5 | 174.8 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | S957 | S957-S960 WeakPolarHBondContact O-CB 3.24Å; S957-S960 PolarHBondContact O-N 2.88Å; S957-S960 PolarHBondContact O-OG 2.74Å |
| 961 | H | 52.4 | Low | 70.5 | Confident | 163 Ų | 163 | 61.1 Ų | 61.1 | 76% | 0.755 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 134.6 | -178.4 | -77.3 | 59.1 | 0 | 0 | 0 | 109.8 | I963 | H961-I963 PolarHBondContact O-N 2.9Š|
| 962 | P | 60 | Low | 70.4 | Confident | 126 Ų | 126 | 61.1 Ų | 61.1 | 82% | 0.818 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 116.7 | -179.7 | 22.7 | -31.1 | 0 | 0 | 0 | 108.8 | G964 | P962-G964 PolarHBondContact O-N 2.89Š|
| 963 | I | 73.9 | Confident | 70.6 | Confident | 29 Ų | 29 | 61 Ų | 61 | 15% | 0.149 | 41% | 0.405 | C | S | . | . | trans | -57.7 | 112.2 | 177.1 | -64 | -177.3 | 0 | 0 | 0 | 107.2 | V953 H961 Y974 V976 L988 | V953-I963 HydrophobicContact CG1-CD1 3.99Å; H961-I963 PolarHBondContact O-N 2.9Å; I963-Y974 HydrophobicContact CG2-CD1 4.17Å; I963-V976 HydrophobicContact CD1-CG1 4.5Å; I963-L988 HydrophobicContact CD1-CD2 4.08Å | ||
| 964 | G | 73.5 | Confident | 70.8 | Confident | 41 Ų | 41 | 61 Ų | 61 | 42% | 0.423 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 146.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P962 Y974 D975 | P962-G964 PolarHBondContact O-N 2.89Å; G964-Y974 CarbonylContact O-C 3.51Å; G964-Y974 WeakPolarHBondContact O-CA 3.19Å; G964-D975 PolarHBondContact N-O 2.94Å; G964-D975 PolarHBondContact O-N 2.94Å |
| 965 | W | 79 | Confident | 71.1 | Confident | 113 Ų | 113 | 61.9 Ų | 61.9 | 43% | 0.428 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 150.1 | 171.3 | 61.7 | -93.8 | 0 | 0 | 0 | 111 | V967 V972 V973 Y974 P1155 A1158 | W965-V967 HydrophobicContact CE3-CG2 4.49Å; W965-V967 HydrophobicContact CZ3-CG2 4.03Å; W965-V972 HydrophobicContact CB-CG1 4.08Å; W965-V972 HydrophobicContact CE3-CG1 4.22Å; W965-V973 CarbonylContact C-O 3.54Å; W965-V973 VanDerWaalsContact CA-O 3.23Å; W965-V973 WeakPolarHBondContact CA-O 3.22Å; W965-Y974 HydrophobicContact CB-CD1 3.69Å; W965-Y974 HydrophobicContact CB-CE1 3.8Å; W965-Y974 HydrophobicContact CB-CG 4.37Å; W965-Y974 HydrophobicContact CG-CD1 4.48Å; W965-Y974 HydrophobicContact CG-CE1 4.19Å; W965-P1155 HydrophobicContact CE3-CB 4.48Å; W965-P1155 HydrophobicContact CZ3-CB 4.45Å; W965-A1158 HydrophobicContact CH2-CB 3.34Å; W965-A1158 HydrophobicContact CZ2-CB 4.49Å; W965-A1158 HydrophobicContact CZ3-CB 3.38Å |
| 966 | K | 79.6 | Confident | 71.4 | Confident | 135 Ų | 135 | 61.6 Ų | 61.6 | 59% | 0.587 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 146.7 | 176.8 | -70 | -178.6 | -179.5 | 173.9 | 0 | 110.5 | V968 V972 V973 | K966-V968 HydrophobicContact CB-CG2 4.35Å; K966-V972 WeakPolarHBondContact O-CA 3.44Å; K966-V973 PolarHBondContact N-O 2.95Å; K966-V973 PolarHBondContact O-N 3.4Å |
| 967 | V | 78.5 | Confident | 71.7 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.4 | 170.3 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | W965 N971 V972 A1158 | W965-V967 HydrophobicContact CE3-CG2 4.49Å; W965-V967 HydrophobicContact CZ3-CG2 4.03Å; V967-N971 CarbonylContact C-O 3.42Å; V967-N971 WeakPolarHBondContact CA-O 3.35Å; V967-V972 HydrophobicContact CG2-CG2 3.98Å; V967-A1158 HydrophobicContact CG2-CB 3.9Å |
| 968 | V | 77.3 | Confident | 72.5 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 116 | 178.6 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | S723 S726 V727 K966 G970 N971 | S723-V968 PolarHBondContact OG-O 2.7Å; S726-V968 WeakPolarHBondContact OG-CG1 3.35Å; V727-V968 HydrophobicContact CG2-CG2 3.84Å; K966-V968 HydrophobicContact CB-CG2 4.35Å; V968-G970 PolarHBondContact O-N 3.3Å; V968-N971 PolarHBondContact N-O 2.9Å; V968-N971 PolarHBondContact O-N 3.08Å; V968-N971 VanDerWaalsContact O-N 3.09Å |
| 969 | G | 73.1 | Confident | 74.1 | Confident | 74 Ų | 74 | 59 Ų | 59 | 76% | 0.763 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 27.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N971 | G969-N971 VanDerWaalsContact C-N 3.31Š|
| 970 | G | 73.8 | Confident | 76.2 | Confident | 46 Ų | 46 | 54.8 Ų | 54.8 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -8.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V968 | V968-G970 PolarHBondContact O-N 3.3Š|
| 971 | N | 80.7 | Confident | 78 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 145.1 | 175.3 | -62.2 | -43.8 | 0 | 0 | 0 | 110.9 | S719 S723 V967 V968 G969 | S719-N971 PolarHBondContact OG-ND2 2.92Å; S723-N971 PolarHBondContact OG-ND2 3.44Å; V967-N971 CarbonylContact C-O 3.42Å; V967-N971 WeakPolarHBondContact CA-O 3.35Å; V968-N971 PolarHBondContact N-O 2.9Å; V968-N971 PolarHBondContact O-N 3.08Å; V968-N971 VanDerWaalsContact O-N 3.09Å; G969-N971 VanDerWaalsContact C-N 3.31Å |
| 972 | V | 82.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.3 | 168.5 | 175.4 | 0 | 0 | 0 | 0 | 108.5 | A948 W965 K966 V967 Y974 P1155 | A948-V972 HydrophobicContact CB-CB 3.95Å; A948-V972 HydrophobicContact CB-CG2 3.75Å; W965-V972 HydrophobicContact CB-CG1 4.08Å; W965-V972 HydrophobicContact CE3-CG1 4.22Å; K966-V972 WeakPolarHBondContact O-CA 3.44Å; V967-V972 HydrophobicContact CG2-CG2 3.98Å; V972-Y974 HydrophobicContact CG1-CD2 4.28Å; V972-Y974 HydrophobicContact CG1-CE1 4.37Å; V972-Y974 HydrophobicContact CG1-CE2 3.73Å; V972-P1155 HydrophobicContact CB-CG 4.22Å; V972-P1155 HydrophobicContact CG1-CB 4.44Å; V972-P1155 HydrophobicContact CG1-CG 4.06Å; V972-P1155 HydrophobicContact CG2-CB 3.97Å; V972-P1155 HydrophobicContact CG2-CG 3.66Å |
| 973 | V | 87.6 | Confident | 80.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.9 | 177.8 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | V727 C942 I943 W965 K966 | V727-V973 HydrophobicContact CB-CG1 4.23Å; V727-V973 HydrophobicContact CG1-CG1 4.45Å; V727-V973 HydrophobicContact CG2-CB 4.17Å; V727-V973 HydrophobicContact CG2-CG1 4.03Å; V727-V973 HydrophobicContact CG2-CG2 4.42Å; C942-V973 HydrophobicContact CB-CG1 3.84Å; I943-V973 WeakPolarHBondContact O-CA 3.36Å; W965-V973 CarbonylContact C-O 3.54Å; W965-V973 VanDerWaalsContact CA-O 3.23Å; W965-V973 WeakPolarHBondContact CA-O 3.22Å; K966-V973 PolarHBondContact N-O 2.95Å; K966-V973 PolarHBondContact O-N 3.4Å |
| 974 | Y | 88.3 | Confident | 81.7 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122 | 172.2 | -64.1 | -85.4 | 0 | 0 | 0 | 109.1 | C942 I943 V951 A952 V953 I963 G964 W965 V972 P1155 | C942-Y974 CarbonylContact C-O 3.45Å; C942-Y974 VanDerWaalsContact CA-O 3.22Å; C942-Y974 WeakPolarHBondContact CA-O 3.38Å; I943-Y974 PolarHBondContact N-O 3.47Å; I943-Y974 PolarHBondContact O-N 2.81Å; V951-Y974 PolarHBondContact O-OH 2.83Å; A952-Y974 WeakPolarHBondContact CA-OH 2.99Å; V953-Y974 HydrophobicContact CB-CD1 3.96Å; V953-Y974 HydrophobicContact CB-CD2 4.21Å; V953-Y974 HydrophobicContact CB-CE1 4.49Å; V953-Y974 HydrophobicContact CB-CG 3.84Å; V953-Y974 HydrophobicContact CG2-CD1 4.32Å; V953-Y974 HydrophobicContact CG2-CD2 3.65Å; V953-Y974 HydrophobicContact CG2-CE2 4.11Å; V953-Y974 HydrophobicContact CG2-CG 3.78Å; I963-Y974 HydrophobicContact CG2-CD1 4.17Å; G964-Y974 CarbonylContact O-C 3.51Å; G964-Y974 WeakPolarHBondContact O-CA 3.19Å; W965-Y974 HydrophobicContact CB-CD1 3.69Å; W965-Y974 HydrophobicContact CB-CE1 3.8Å; W965-Y974 HydrophobicContact CB-CG 4.37Å; W965-Y974 HydrophobicContact CG-CD1 4.48Å; W965-Y974 HydrophobicContact CG-CE1 4.19Å; V972-Y974 HydrophobicContact CG1-CD2 4.28Å; V972-Y974 HydrophobicContact CG1-CE1 4.37Å; V972-Y974 HydrophobicContact CG1-CE2 3.73Å; Y974-P1155 WeakPolarHBondContact OH-CD 3.12Å |
| 975 | D | 87.2 | Confident | 82.4 | Confident | 45 Ų | 45 | 51.9 Ų | 51.9 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 108.8 | 171.8 | -174.8 | -1.7 | 0 | 0 | 0 | 108.4 | G964 G977 | G964-D975 PolarHBondContact N-O 2.94Å; G964-D975 PolarHBondContact O-N 2.94Å; D975-G977 PolarHBondContact O-N 2.9Å; D975-G977 PolarHBondContact OD1-N 2.92Å; D975-G977 VanDerWaalsContact OD1-N 3.12Å |
| 976 | V | 83.3 | Confident | 82.9 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 10% | 0.097 | 34% | 0.338 | C | S | . | . | trans | -71.2 | -22.7 | -175.6 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | I941 I943 I963 I986 L988 | I941-V976 HydrophobicContact CB-CB 4.29Å; I941-V976 HydrophobicContact CB-CG2 4.44Å; I941-V976 HydrophobicContact CG2-CG2 4.29Å; I941-V976 PolarHBondContact O-N 2.86Å; I943-V976 HydrophobicContact CD1-CG2 3.95Å; I943-V976 HydrophobicContact CG1-CG2 4.37Å; I963-V976 HydrophobicContact CD1-CG1 4.5Å; V976-I986 HydrophobicContact CG1-CD1 3.84Å; V976-L988 HydrophobicContact CG1-CD1 4.14Å; V976-L988 HydrophobicContact CG1-CD2 3.72Å; V976-L988 HydrophobicContact CG2-CD1 4.04Å | ||
| 977 | G | 72.9 | Confident | 83.3 | Confident | 42 Ų | 42 | 46.9 Ų | 46.9 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | trans | 64.5 | 160.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | D975 | D975-G977 PolarHBondContact O-N 2.9Å; D975-G977 PolarHBondContact OD1-N 2.92Å; D975-G977 VanDerWaalsContact OD1-N 3.12Å | ||
| 978 | G | 75.1 | Confident | 83.8 | Confident | 56 Ų | 56 | 44.4 Ų | 44.4 | 58% | 0.577 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 88 | 160.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 979 | T | 82.7 | Confident | 84.2 | Confident | 75 Ų | 75 | 43.5 Ų | 43.5 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.4 | 173.8 | -55.8 | 0 | 0 | 0 | 0 | 108.4 | P937 V938 D939 | P937-T979 HydrophobicContact CB-CG2 4.13Å; V938-T979 CarbonylContact O-C 3.53Å; V938-T979 VanDerWaalsContact O-CA 3.3Å; V938-T979 WeakPolarHBondContact O-CA 3.49Å; D939-T979 WeakPolarHBondContact OD1-CB 3Å; D939-T979 WeakPolarHBondContact OD1-CG2 3.38Å; D939-T979 PolarHBondContact OD1-OG1 3.36Å |
| 980 | I | 87.6 | Confident | 84.9 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 113.3 | 170.7 | -50.7 | -175.3 | 0 | 0 | 0 | 108.2 | V930 N932 V938 I941 E984 I986 | V930-I980 HydrophobicContact CG1-CD1 4.35Å; N932-I980 HydrophobicContact CB-CB 4.39Å; N932-I980 HydrophobicContact CB-CG2 3.63Å; N932-I980 PolarHBondContact ND2-O 3.44Å; V938-I980 PolarHBondContact N-O 3.47Å; V938-I980 PolarHBondContact O-N 3.04Å; I941-I980 HydrophobicContact CD1-CD1 3.34Å; I941-I980 HydrophobicContact CD1-CG1 4.11Å; I980-E984 HydrophobicContact CG2-CB 3.76Å; I980-E984 WeakPolarHBondContact CG2-O 3.35Å; I980-I986 HydrophobicContact CD1-CB 4.42Å; I980-I986 HydrophobicContact CD1-CD1 3.66Å; I980-I986 HydrophobicContact CD1-CG1 3.67Å; I980-I986 HydrophobicContact CD1-CG2 3.95Å; I980-I986 HydrophobicContact CG1-CG2 4.16Å |
| 981 | N | 88.1 | Confident | 85.5 | Confident | 75 Ų | 75 | 40.3 Ų | 40.3 | 40% | 0.401 | 26% | 0.264 | S | S | . | . | trans | -74.4 | 162.6 | 176.4 | -57 | -57.1 | 0 | 0 | 0 | 111.2 | N932 G983 E984 | N932-N981 WeakPolarHBondContact CB-O 3.29Å; N932-N981 PolarHBondContact ND2-O 3.3Å; N981-G983 PolarHBondContact O-N 2.85Å; N981-E984 HydrophobicContact CB-CG 4.18Å; N981-E984 WeakPolarHBondContact CB-OE2 3.19Å; N981-E984 PolarHBondContact N-OE2 2.83Å; N981-E984 PolarHBondContact ND2-OE1 2.92Å; N981-E984 PolarHBondContact ND2-OE2 3.18Å; N981-E984 WeakPolarHBondContact O-CB 3.16Å; N981-E984 PolarHBondContact O-N 3.21Å | ||
| 982 | A | 86.7 | Confident | 85.8 | Confident | 53 Ų | 53 | 39.4 Ų | 39.4 | 44% | 0.438 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 127.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | N932 G934 | N932-A982 PolarHBondContact ND2-N 3.09Å; G934-A982 WeakPolarHBondContact O-CB 3.47Å |
| 983 | G | 87.2 | Confident | 86.1 | Confident | 68 Ų | 68 | 40.1 Ų | 40.1 | 70% | 0.701 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -5.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N932 N981 | N932-G983 WeakPolarHBondContact O-CA 3.45Å; N932-G983 PolarHBondContact O-N 2.78Å; N981-G983 PolarHBondContact O-N 2.85Å |
| 984 | E | 89.9 | Confident | 86.1 | Confident | 88 Ų | 88 | 40.1 Ų | 40.1 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | trans | -87.2 | 154.9 | 176.5 | -68.3 | 175.9 | 175.2 | 0 | 0 | 112.3 | N932 I980 N981 | N932-E984 PolarHBondContact N-O 2.84Å; I980-E984 HydrophobicContact CG2-CB 3.76Å; I980-E984 WeakPolarHBondContact CG2-O 3.35Å; N981-E984 HydrophobicContact CB-CG 4.18Å; N981-E984 WeakPolarHBondContact CB-OE2 3.19Å; N981-E984 PolarHBondContact N-OE2 2.83Å; N981-E984 PolarHBondContact ND2-OE1 2.92Å; N981-E984 PolarHBondContact ND2-OE2 3.18Å; N981-E984 WeakPolarHBondContact O-CB 3.16Å; N981-E984 PolarHBondContact O-N 3.21Å | ||
| 985 | S | 89.5 | Confident | 85.8 | Confident | 68 Ų | 68 | 41.5 Ų | 41.5 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.3 | 177.1 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | V930 S931 | V930-S985 CarbonylContact O-C 3.54Å; V930-S985 WeakPolarHBondContact O-CA 3.5Å; S931-S985 VanDerWaalsContact CB-OG 3.29Å; S931-S985 WeakPolarHBondContact CB-OG 3.23Å; S931-S985 PolarHBondContact OG-OG 3.01Å |
| 986 | I | 89.1 | Confident | 85.2 | Confident | 49 Ų | 49 | 40.7 Ų | 40.7 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147 | 171.4 | 65.3 | 169 | 0 | 0 | 0 | 110.6 | V930 I941 V976 I980 L988 | V930-I986 HydrophobicContact CB-CD1 4.41Å; V930-I986 HydrophobicContact CB-CG1 3.76Å; V930-I986 HydrophobicContact CG2-CG1 4.34Å; V930-I986 PolarHBondContact N-O 2.87Å; V930-I986 PolarHBondContact O-N 3Å; I941-I986 HydrophobicContact CD1-CD1 4.14Å; V976-I986 HydrophobicContact CG1-CD1 3.84Å; I980-I986 HydrophobicContact CD1-CB 4.42Å; I980-I986 HydrophobicContact CD1-CD1 3.66Å; I980-I986 HydrophobicContact CD1-CG1 3.67Å; I980-I986 HydrophobicContact CD1-CG2 3.95Å; I980-I986 HydrophobicContact CG1-CG2 4.16Å; I986-L988 HydrophobicContact CD1-CD1 4.17Å; I986-L988 HydrophobicContact CD1-CD2 4.29Å; I986-L988 HydrophobicContact CD1-CG 4.24Å; I986-L988 HydrophobicContact CG1-CG 4.49Å |
| 987 | N | 88.6 | Confident | 84.4 | Confident | 94 Ų | 94 | 41.4 Ų | 41.4 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.4 | 178.3 | -67 | -26.5 | 0 | 0 | 0 | 110.2 | A956 | A956-N987 HydrophobicContact CB-CB 3.65Å; A956-N987 PolarHBondContact N-O 2.85Å |
| 988 | L | 88 | Confident | 83.8 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 161.4 | 176.8 | -57 | 176.8 | 0 | 0 | 0 | 109.7 | I928 V930 I943 T954 I963 V976 I986 | I928-L988 HydrophobicContact CB-CB 4.32Å; I928-L988 PolarHBondContact N-O 3.06Å; I928-L988 PolarHBondContact O-N 2.85Å; V930-L988 HydrophobicContact CG2-CD1 3.95Å; I943-L988 HydrophobicContact CD1-CD1 3.88Å; T954-L988 WeakPolarHBondContact O-CA 3.37Å; I963-L988 HydrophobicContact CD1-CD2 4.08Å; V976-L988 HydrophobicContact CG1-CD1 4.14Å; V976-L988 HydrophobicContact CG1-CD2 3.72Å; V976-L988 HydrophobicContact CG2-CD1 4.04Å; I986-L988 HydrophobicContact CD1-CD1 4.17Å; I986-L988 HydrophobicContact CD1-CD2 4.29Å; I986-L988 HydrophobicContact CD1-CG 4.24Å; I986-L988 HydrophobicContact CG1-CG 4.49Å |
| 989 | T | 86.4 | Confident | 82.8 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 14% | 0.141 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 123.6 | 170.7 | -55.9 | 0 | 0 | 0 | 0 | 109.1 | S925 T954 W991 | S925-T989 VanDerWaalsContact OG-CG2 3.27Å; S925-T989 WeakPolarHBondContact OG-CG2 3.3Å; T954-T989 PolarHBondContact N-O 2.81Å; T954-T989 PolarHBondContact O-N 2.98Å; T954-T989 PolarHBondContact OG1-O 3.09Å; T989-W991 HydrophobicContact CG2-CD2 4.18Å; T989-W991 HydrophobicContact CG2-CZ2 3.88Å |
| 990 | L | 87.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 114.9 | 174.2 | -177.3 | 75.8 | 0 | 0 | 0 | 108.6 | L911 A926 I928 V951 V953 I992 V1008 W1029 | L911-L990 HydrophobicContact CD1-CD2 4.37Å; A926-L990 HydrophobicContact CB-CB 4.24Å; A926-L990 PolarHBondContact N-O 2.66Å; A926-L990 PolarHBondContact O-N 2.56Å; I928-L990 HydrophobicContact CD1-CB 3.68Å; I928-L990 HydrophobicContact CD1-CD2 4.42Å; I928-L990 HydrophobicContact CG1-CB 4.3Å; V951-L990 HydrophobicContact CG1-CD1 3.31Å; V951-L990 HydrophobicContact CG1-CG 4.22Å; V953-L990 HydrophobicContact CG2-CD1 3.88Å; L990-I992 HydrophobicContact CD2-CD1 3.95Å; L990-I992 HydrophobicContact CD2-CG1 4.11Å; L990-I992 HydrophobicContact CG-CD1 4.39Å; L990-I992 HydrophobicContact CG-CG1 4.06Å; L990-V1008 HydrophobicContact CD2-CG2 4.13Å; L990-W1029 HydrophobicContact CD2-CE3 4.33Å; L990-W1029 HydrophobicContact CD2-CH2 4.43Å; L990-W1029 HydrophobicContact CD2-CZ3 3.8Å |
| 991 | W | 86.6 | Confident | 79.7 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 20% | 0.201 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.3 | 176.2 | -61.6 | 96.4 | 0 | 0 | 0 | 109.3 | I923 I924 V951 A952 T954 T989 C1152 F1154 | I923-W991 HydrophobicContact CG2-CE3 3.64Å; I923-W991 HydrophobicContact CG2-CZ3 4.16Å; I924-W991 WeakPolarHBondContact O-CA 3.49Å; V951-W991 WeakPolarHBondContact CA-O 3.37Å; A952-W991 HydrophobicContact CB-CB 4.28Å; A952-W991 PolarHBondContact N-O 2.83Å; A952-W991 PolarHBondContact O-N 3.29Å; T954-W991 PolarHBondContact OG1-NE1 2.89Å; T989-W991 HydrophobicContact CG2-CD2 4.18Å; T989-W991 HydrophobicContact CG2-CZ2 3.88Å; W991-C1152 HydrophobicContact CB-CB 4.48Å; W991-C1152 HydrophobicContact CD2-CB 4.48Å; W991-C1152 HydrophobicContact CG-CB 4.27Å; W991-F1154 HydrophobicContact CB-CZ 4.35Å |
| 992 | I | 87 | Confident | 78.4 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.2 | -175.9 | -57.7 | 163.4 | 0 | 0 | 0 | 108.1 | Y913 I923 I924 A926 L990 L1006 W1029 | Y913-I992 HydrophobicContact CD2-CD1 4.1Å; Y913-I992 HydrophobicContact CE2-CD1 3.97Å; I923-I992 WeakPolarHBondContact CA-O 3.29Å; I924-I992 HydrophobicContact CB-CB 4.32Å; I924-I992 PolarHBondContact N-O 2.92Å; I924-I992 PolarHBondContact O-N 2.84Å; A926-I992 HydrophobicContact CB-CD1 4.44Å; L990-I992 HydrophobicContact CD2-CD1 3.95Å; L990-I992 HydrophobicContact CD2-CG1 4.11Å; L990-I992 HydrophobicContact CG-CD1 4.39Å; L990-I992 HydrophobicContact CG-CG1 4.06Å; I992-L1006 HydrophobicContact CB-CD2 4.4Å; I992-L1006 HydrophobicContact CD1-CD2 3.56Å; I992-L1006 HydrophobicContact CG1-CD2 3.75Å; I992-L1006 HydrophobicContact CG2-CD2 3.75Å; I992-W1029 HydrophobicContact CD1-CH2 4.09Å; I992-W1029 HydrophobicContact CD1-CZ3 4.23Å |
| 993 | R | 87.5 | Confident | 77.7 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 6% | 0.06 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119 | 167.1 | -173.7 | 177 | 62.8 | 177.4 | -2.7 | 110 | D921 Q922 N950 V995 F1154 E1186 S1188 | D921-R993 HydrophobicContact CB-CG 4.48Å; D921-R993 IonicContact OD1-NE 3.02Å; Q922-R993 WeakPolarHBondContact O-CA 3.4Å; N950-R993 HydrophobicContact CB-CB 4.28Å; N950-R993 PolarHBondContact O-N 2.86Å; N950-R993 PolarHBondContact OD1-NE 3.37Å; N950-R993 PolarHBondContact OD1-NH2 2.86Å; R993-V995 HydrophobicContact CG-CG2 4.05Å; R993-V995 PolarHBondContact O-N 3.09Å; R993-F1154 HydrophobicContact CB-CD1 4.44Å; R993-F1154 HydrophobicContact CB-CE1 3.91Å; R993-F1154 HydrophobicContact CB-CE2 4.44Å; R993-F1154 HydrophobicContact CB-CZ 3.9Å; R993-E1186 VanDerWaalsContact CD-O 3.28Å; R993-E1186 WeakPolarHBondContact CD-O 3.4Å; R993-E1186 PolarHBondContact NH1-O 2.93Å; R993-S1188 PolarHBondContact NH1-OG 2.95Å |
| 994 | A | 87.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -73.1 | 95.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E920 D921 Q922 I924 Y1033 V1035 | E920-A994 CarbonylContact C-O 3.58Å; D921-A994 PolarHBondContact N-O 3.08Å; Q922-A994 HydrophobicContact CB-CB 4.38Å; Q922-A994 PolarHBondContact O-N 3.35Å; I924-A994 HydrophobicContact CD1-CB 4.16Å; A994-Y1033 HydrophobicContact CB-CD2 4.35Å; A994-Y1033 HydrophobicContact CB-CE2 4.05Å; A994-V1035 HydrophobicContact CB-CG2 4.39Å | ||
| 995 | V | 83.1 | Confident | 76.7 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | trans | -107.4 | 134.8 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | N950 R993 Y1033 | N950-V995 HydrophobicContact CB-CG2 4.43Å; N950-V995 WeakPolarHBondContact ND2-CB 3.42Å; N950-V995 WeakPolarHBondContact ND2-CG2 3.41Å; R993-V995 HydrophobicContact CG-CG2 4.05Å; R993-V995 PolarHBondContact O-N 3.09Å; V995-Y1033 PolarHBondContact O-OH 2.71Å | ||
| 996 | G | 73.6 | Confident | 76.4 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | trans | -80.6 | 144.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 997 | G | 68 | Low | 76.2 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 33% | 0.33 | 32% | 0.324 | S | S | . | . | trans | -68 | 169.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.8 | T999 N1004 | G997-T999 PolarHBondContact O-N 3.48Å; G997-N1004 PolarHBondContact N-OD1 2.87Å | ||
| 998 | P | 59.7 | Low | 76.3 | Confident | 144 Ų | 144 | 48.4 Ų | 48.4 | 94% | 0.935 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -62.4 | -13.6 | -179.3 | 25.1 | -33.6 | 0 | 0 | 0 | 114.1 | ||
| 999 | T | 54.4 | Low | 76.3 | Confident | 77 Ų | 77 | 48.1 Ų | 48.1 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -114.1 | 113 | 177.4 | 43.3 | 0 | 0 | 0 | 0 | 109.5 | G997 A1001 | G997-T999 PolarHBondContact O-N 3.48Å; T999-A1001 PolarHBondContact O-N 2.96Å |
| 1000 | S | 52.3 | Low | 76.5 | Confident | 131 Ų | 131 | 47 Ų | 47 | 92% | 0.916 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -0.6 | -174.3 | 54 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1001 | A | 52.7 | Low | 76.6 | Confident | 95 Ų | 95 | 47 Ų | 47 | 79% | 0.785 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -8.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | T999 | T999-A1001 PolarHBondContact O-N 2.96Š|
| 1002 | E | 60.9 | Low | 76.7 | Confident | 135 Ų | 135 | 44.5 Ų | 44.5 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -104.5 | 144 | -173.6 | -71.8 | -177.7 | 167.6 | 0 | 0 | 113.2 | N1004 | E1002-N1004 PolarHBondContact O-N 3.05Š|
| 1003 | T | 70.7 | Confident | 76.7 | Confident | 102 Ų | 102 | 44.8 Ų | 44.8 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | trans | -58.8 | 118.2 | 167.7 | 43.5 | 0 | 0 | 0 | 0 | 110 | T1034 | T1003-T1034 HydrophobicContact CG2-CG2 3.91Š| ||
| 1004 | N | 77 | Confident | 76.3 | Confident | 27 Ų | 27 | 44.9 Ų | 44.9 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 140.8 | 175.4 | -61.5 | -74.9 | 0 | 0 | 0 | 109.9 | G997 E1002 A1032 Y1033 | G997-N1004 PolarHBondContact N-OD1 2.87Å; E1002-N1004 PolarHBondContact O-N 3.05Å; N1004-A1032 CarbonylContact O-C 3.56Å; N1004-A1032 VanDerWaalsContact O-CA 3.29Å; N1004-A1032 WeakPolarHBondContact O-CA 3.4Å; N1004-Y1033 WeakPolarHBondContact CA-O 3.44Å; N1004-Y1033 HydrophobicContact CB-CD1 4.49Å; N1004-Y1033 HydrophobicContact CB-CD2 4.23Å; N1004-Y1033 HydrophobicContact CB-CE1 4.13Å; N1004-Y1033 HydrophobicContact CB-CE2 3.84Å; N1004-Y1033 WeakPolarHBondContact CB-O 3.41Å; N1004-Y1033 PolarHBondContact N-O 3.03Å; N1004-Y1033 PolarHBondContact O-N 3.43Å |
| 1005 | L | 79.7 | Confident | 75.6 | Confident | 62 Ų | 62 | 46 Ų | 46 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 112.3 | -178.2 | -174.1 | 69.4 | 0 | 0 | 0 | 111.1 | R1030 | L1005-R1030 HydrophobicContact CD1-CB 4.29Å |
| 1006 | L | 83.6 | Confident | 75 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.3 | 170.5 | 179.3 | 63.3 | 0 | 0 | 0 | 110.4 | V951 I992 V1008 W1029 R1030 A1031 Y1033 | V951-L1006 HydrophobicContact CG2-CD1 3.77Å; V951-L1006 HydrophobicContact CG2-CD2 4.38Å; I992-L1006 HydrophobicContact CB-CD2 4.4Å; I992-L1006 HydrophobicContact CD1-CD2 3.56Å; I992-L1006 HydrophobicContact CG1-CD2 3.75Å; I992-L1006 HydrophobicContact CG2-CD2 3.75Å; L1006-V1008 HydrophobicContact CD1-CG2 4.5Å; L1006-V1008 HydrophobicContact CD2-CG2 4.28Å; L1006-V1008 HydrophobicContact CG-CG2 4.14Å; L1006-W1029 HydrophobicContact CD2-CZ3 3.91Å; L1006-W1029 HydrophobicContact CG-CZ3 4.5Å; L1006-R1030 VanDerWaalsContact O-CA 3.29Å; L1006-R1030 WeakPolarHBondContact O-CA 3.49Å; L1006-A1031 PolarHBondContact N-O 3.1Å; L1006-A1031 PolarHBondContact O-N 3.16Å; L1006-Y1033 HydrophobicContact CB-CE1 4.04Å |
| 1007 | R | 86.1 | Confident | 74.7 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.4 | 173.2 | -58.2 | 178.1 | -177.7 | 85.5 | -7.4 | 109.7 | W717 A945 S946 R1030 | W717-R1007 HydrophobicContact CH2-CB 3.61Å; W717-R1007 HydrophobicContact CH2-CG 4.18Å; W717-R1007 HydrophobicContact CZ2-CB 3.8Å; W717-R1007 HydrophobicContact CZ2-CG 3.83Å; W717-R1007 HydrophobicContact CZ3-CB 4.29Å; A945-R1007 CarbonylContact C-O 3.52Å; A945-R1007 VanDerWaalsContact CA-O 3.3Å; A945-R1007 WeakPolarHBondContact CA-O 3.42Å; S946-R1007 PolarHBondContact N-O 2.79Å; S946-R1007 WeakPolarHBondContact OG-CB 3.49Å; S946-R1007 PolarHBondContact OG-N 2.91Å; R1007-R1030 HydrophobicContact CG-CG 4.47Å |
| 1008 | V | 88.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.4 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | I943 C944 A945 L990 L1006 F1010 W1029 | I943-V1008 HydrophobicContact CG2-CG1 3.64Å; C944-V1008 CarbonylContact O-C 3.57Å; C944-V1008 WeakPolarHBondContact O-CA 3.34Å; A945-V1008 HydrophobicContact CB-CG2 4.31Å; L990-V1008 HydrophobicContact CD2-CG2 4.13Å; L1006-V1008 HydrophobicContact CD1-CG2 4.5Å; L1006-V1008 HydrophobicContact CD2-CG2 4.28Å; L1006-V1008 HydrophobicContact CG-CG2 4.14Å; V1008-F1010 HydrophobicContact CB-CE2 4.24Å; V1008-F1010 HydrophobicContact CG1-CD2 4.32Å; V1008-F1010 HydrophobicContact CG1-CE2 3.75Å; V1008-F1010 HydrophobicContact CG1-CZ 3.89Å; V1008-W1029 HydrophobicContact CB-CB 4.48Å; V1008-W1029 HydrophobicContact CB-CE3 3.9Å; V1008-W1029 HydrophobicContact CG2-CE3 3.65Å; V1008-W1029 HydrophobicContact CG2-CZ3 3.94Å; V1008-W1029 PolarHBondContact N-O 2.81Å; V1008-W1029 PolarHBondContact O-N 2.86Å |
| 1009 | L | 88.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.6 | 174.9 | -177.8 | 77 | 0 | 0 | 0 | 108.5 | W717 M720 E721 I943 C944 T1026 R1028 | W717-L1009 HydrophobicContact CE3-CB 4.29Å; W717-L1009 HydrophobicContact CE3-CD1 4.01Å; W717-L1009 HydrophobicContact CZ3-CB 3.98Å; W717-L1009 HydrophobicContact CZ3-CD1 4.17Å; M720-L1009 HydrophobicContact CB-CB 4.32Å; M720-L1009 HydrophobicContact CB-CD2 3.79Å; M720-L1009 HydrophobicContact CE-CB 3.57Å; E721-L1009 HydrophobicContact CB-CD2 4.07Å; E721-L1009 HydrophobicContact CG-CD1 3.98Å; E721-L1009 HydrophobicContact CG-CD2 3.51Å; E721-L1009 HydrophobicContact CG-CG 4.4Å; I943-L1009 CarbonylContact C-O 3.57Å; I943-L1009 WeakPolarHBondContact CA-O 3.29Å; C944-L1009 PolarHBondContact N-O 2.84Å; C944-L1009 PolarHBondContact O-N 3.27Å; L1009-T1026 HydrophobicContact CD1-CG2 4.18Å; L1009-R1028 HydrophobicContact CD1-CG 3.94Å |
| 1010 | F | 89.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.6 | 167.1 | -56.9 | -99.7 | 0 | 0 | 0 | 107.6 | F909 L911 I928 I943 V1008 T1026 F1027 W1029 | F909-F1010 HydrophobicContact CD1-CB 4.42Å; F909-F1010 AromaticContact CD1-CD1 3.69Å; F909-F1010 HydrophobicContact CD1-CD1 3.69Å; F909-F1010 HydrophobicContact CD1-CE1 4.06Å; F909-F1010 AromaticContact CD1-CG 3.99Å; F909-F1010 HydrophobicContact CD1-CG 3.99Å; F909-F1010 HydrophobicContact CE1-CB 3.74Å; F909-F1010 AromaticContact CE1-CD1 3.46Å; F909-F1010 HydrophobicContact CE1-CD1 3.46Å; F909-F1010 VanDerWaalsContact CE1-CD1 3.46Å; F909-F1010 HydrophobicContact CE1-CE1 4.25Å; F909-F1010 AromaticContact CE1-CG 3.73Å; F909-F1010 HydrophobicContact CE1-CG 3.73Å; F909-F1010 HydrophobicContact CE2-CB 4.33Å; F909-F1010 HydrophobicContact CZ-CB 3.69Å; F909-F1010 HydrophobicContact CZ-CD1 4.3Å; F909-F1010 HydrophobicContact CZ-CG 4.17Å; L911-F1010 HydrophobicContact CD1-CZ 4.26Å; I928-F1010 HydrophobicContact CD1-CE1 3.86Å; I928-F1010 HydrophobicContact CD1-CZ 3.79Å; I943-F1010 HydrophobicContact CD1-CD1 3.82Å; I943-F1010 HydrophobicContact CD1-CE1 3.75Å; I943-F1010 HydrophobicContact CG1-CD1 3.68Å; I943-F1010 HydrophobicContact CG1-CE1 4.04Å; I943-F1010 HydrophobicContact CG2-CD1 4.43Å; I943-F1010 HydrophobicContact CG2-CE1 4.3Å; V1008-F1010 HydrophobicContact CB-CE2 4.24Å; V1008-F1010 HydrophobicContact CG1-CD2 4.32Å; V1008-F1010 HydrophobicContact CG1-CE2 3.75Å; V1008-F1010 HydrophobicContact CG1-CZ 3.89Å; F1010-T1026 CarbonylContact O-C 3.57Å; F1010-T1026 WeakPolarHBondContact O-CA 3.31Å; F1010-F1027 HydrophobicContact CB-CB 4.17Å; F1010-F1027 HydrophobicContact CB-CD1 4.38Å; F1010-F1027 AromaticContact CD2-CD1 3.43Å; F1010-F1027 HydrophobicContact CD2-CD1 3.43Å; F1010-F1027 VanDerWaalsContact CD2-CD1 3.43Å; F1010-F1027 HydrophobicContact CD2-CE1 4.06Å; F1010-F1027 HydrophobicContact CD2-CG 4.41Å; F1010-F1027 AromaticContact CE2-CD1 3.95Å; F1010-F1027 HydrophobicContact CE2-CD1 3.95Å; F1010-F1027 HydrophobicContact CE2-CE1 4.1Å; F1010-F1027 HydrophobicContact CG-CD1 4.08Å; F1010-F1027 PolarHBondContact N-O 3.34Å; F1010-F1027 PolarHBondContact O-N 2.5Å; F1010-W1029 HydrophobicContact CD2-CB 4.49Å; F1010-W1029 HydrophobicContact CE2-CB 3.82Å |
| 1011 | F | 89.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.1 | -177.2 | 178.5 | -79.3 | 0 | 0 | 0 | 108.5 | C724 A725 A728 F734 I941 C942 C1013 Y1024 R1025 T1026 | C724-F1011 HydrophobicContact CB-CB 3.62Å; C724-F1011 HydrophobicContact CB-CD1 4.09Å; C724-F1011 HydrophobicContact CB-CD2 3.99Å; C724-F1011 HydrophobicContact CB-CG 3.64Å; A725-F1011 HydrophobicContact CB-CE2 4.15Å; A725-F1011 HydrophobicContact CB-CZ 4Å; A728-F1011 HydrophobicContact CB-CD1 4.06Å; A728-F1011 HydrophobicContact CB-CE1 3.63Å; F734-F1011 HydrophobicContact CE2-CE2 4.09Å; I941-F1011 CarbonylContact C-O 3.59Å; I941-F1011 WeakPolarHBondContact CA-O 3.11Å; C942-F1011 HydrophobicContact CB-CB 4.29Å; C942-F1011 HydrophobicContact CB-CD1 4.44Å; C942-F1011 PolarHBondContact N-O 3.07Å; C942-F1011 PolarHBondContact O-N 3.31Å; F1011-C1013 WeakPolarHBondContact CE1-SG 3.41Å; F1011-Y1024 HydrophobicContact CD2-CD2 4.49Å; F1011-Y1024 AromaticContact CE2-CD2 3.51Å; F1011-Y1024 HydrophobicContact CE2-CD2 3.51Å; F1011-Y1024 HydrophobicContact CE2-CE2 4.12Å; F1011-Y1024 HydrophobicContact CE2-CG 4.05Å; F1011-Y1024 AromaticContact CZ-CD2 3.78Å; F1011-Y1024 HydrophobicContact CZ-CD2 3.78Å; F1011-Y1024 AromaticContact CZ-CG 3.81Å; F1011-Y1024 HydrophobicContact CZ-CG 3.81Å; F1011-R1025 WeakPolarHBondContact CA-O 3.3Å; F1011-T1026 HydrophobicContact CB-CG2 4.44Å; F1011-T1026 HydrophobicContact CD2-CG2 3.58Å; F1011-T1026 HydrophobicContact CE2-CG2 4.29Å; F1011-T1026 HydrophobicContact CG-CG2 4.41Å |
| 1012 | W | 89.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 151.8 | 177.3 | 67.2 | 97.1 | 0 | 0 | 0 | 112 | I700 P905 L907 F909 V938 I941 Y1024 R1025 F1027 | I700-W1012 HydrophobicContact CD1-CH2 3.49Å; I700-W1012 VanDerWaalsContact CD1-CH2 3.49Å; I700-W1012 HydrophobicContact CD1-CZ2 3.94Å; P905-W1012 PolarHBondContact O-NE1 2.85Å; P905-W1012 VanDerWaalsContact O-NE1 3.1Å; L907-W1012 HydrophobicContact CB-CD2 4.37Å; L907-W1012 HydrophobicContact CB-CH2 4.43Å; L907-W1012 HydrophobicContact CB-CZ2 4.07Å; L907-W1012 HydrophobicContact CD1-CB 3.99Å; L907-W1012 HydrophobicContact CD1-CD2 3.81Å; L907-W1012 HydrophobicContact CD1-CE3 4.27Å; L907-W1012 HydrophobicContact CD1-CG 3.71Å; L907-W1012 HydrophobicContact CG-CD2 4.09Å; L907-W1012 HydrophobicContact CG-CG 4.14Å; L907-W1012 HydrophobicContact CG-CZ2 4.47Å; F909-W1012 HydrophobicContact CE2-CE3 4.15Å; F909-W1012 AromaticContact CE2-CH2 3.8Å; F909-W1012 HydrophobicContact CE2-CH2 3.8Å; F909-W1012 AromaticContact CE2-CZ3 3.51Å; F909-W1012 HydrophobicContact CE2-CZ3 3.51Å; F909-W1012 AromaticContact CZ-CE3 3.92Å; F909-W1012 HydrophobicContact CZ-CE3 3.92Å; F909-W1012 HydrophobicContact CZ-CH2 4.4Å; F909-W1012 AromaticContact CZ-CZ3 3.74Å; F909-W1012 HydrophobicContact CZ-CZ3 3.74Å; V938-W1012 HydrophobicContact CG1-CB 3.68Å; V938-W1012 HydrophobicContact CG1-CG 3.88Å; I941-W1012 HydrophobicContact CG1-CB 4.02Å; W1012-Y1024 CarbonylContact O-C 3.56Å; W1012-Y1024 WeakPolarHBondContact O-CA 3.29Å; W1012-Y1024 VanDerWaalsContact O-CB 3.28Å; W1012-Y1024 WeakPolarHBondContact O-CB 3.45Å; W1012-R1025 HydrophobicContact CD2-CB 3.81Å; W1012-R1025 HydrophobicContact CE3-CB 4.27Å; W1012-R1025 HydrophobicContact CG-CB 4.45Å; W1012-R1025 HydrophobicContact CH2-CB 3.79Å; W1012-R1025 HydrophobicContact CZ2-CB 3.25Å; W1012-R1025 HydrophobicContact CZ2-CG 4.02Å; W1012-R1025 HydrophobicContact CZ3-CB 4.25Å; W1012-R1025 PolarHBondContact N-O 3.46Å; W1012-R1025 PolarHBondContact O-N 2.85Å; W1012-F1027 HydrophobicContact CH2-CB 4.18Å; W1012-F1027 HydrophobicContact CZ3-CB 3.84Å |
| 1013 | C | 86.7 | Confident | 79.4 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 5% | 0.054 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 155.1 | 178.8 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | V938 D939 F1011 K1023 | V938-C1013 WeakPolarHBondContact CG1-O 3.23Å; D939-C1013 PolarHBondContact N-O 2.92Å; D939-C1013 CarbonylContact O-C 3.54Å; D939-C1013 PolarHBondContact O-N 2.8Å; D939-C1013 VanDerWaalsContact O-N 3.16Å; F1011-C1013 WeakPolarHBondContact CE1-SG 3.41Å; C1013-K1023 WeakPolarHBondContact CA-O 3.4Å |
| 1014 | C | 79.7 | Confident | 80.1 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 12% | 0.115 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 149.7 | 164.1 | -148.2 | 0 | 0 | 0 | 0 | 109.6 | P905 A1018 K1023 | P905-C1014 HydrophobicContact CB-CB 4.47Å; P905-C1014 HydrophobicContact CG-CB 3.8Å; C1014-A1018 HydrophobicContact CB-CB 4.36Å; C1014-A1018 WeakPolarHBondContact SG-CB 3.42Å; C1014-K1023 PolarHBondContact N-O 2.94Å |
| 1015 | S | 74 | Confident | 80.4 | Confident | 23 Ų | 23 | 37.2 Ų | 37.2 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | trans | -58.4 | 146.7 | 175.6 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | P937 D939 G1017 A1018 | P937-S1015 WeakPolarHBondContact CG-OG 3.27Å; P937-S1015 PolarHBondContact O-N 3.31Å; P937-S1015 PolarHBondContact O-OG 3.34Å; D939-S1015 WeakPolarHBondContact OD2-CA 3.42Å; D939-S1015 WeakPolarHBondContact OD2-CB 3.48Å; S1015-G1017 PolarHBondContact O-N 3.03Å; S1015-A1018 PolarHBondContact O-N 2.71Å; S1015-A1018 VanDerWaalsContact O-N 3.12Å | ||
| 1016 | T | 69.5 | Low | 80.7 | Confident | 141 Ų | 141 | 34.3 Ų | 34.3 | 87% | 0.865 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 110.7 | -179.4 | 45.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1017 | G | 67.2 | Low | 80.7 | Confident | 82 Ų | 82 | 34.5 Ų | 34.5 | 85% | 0.845 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 109.3 | -5.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1015 | S1015-G1017 PolarHBondContact O-N 3.03Š|
| 1018 | A | 68.5 | Low | 80.7 | Confident | 26 Ų | 26 | 34 Ų | 34 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | trans | -65.3 | 139.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1014 S1015 S1020 | C1014-A1018 HydrophobicContact CB-CB 4.36Å; C1014-A1018 WeakPolarHBondContact SG-CB 3.42Å; S1015-A1018 PolarHBondContact O-N 2.71Å; S1015-A1018 VanDerWaalsContact O-N 3.12Å; A1018-S1020 PolarHBondContact O-N 2.95Å | ||
| 1019 | P | 70.3 | Confident | 80.5 | Confident | 111 Ų | 111 | 35.3 Ų | 35.3 | 72% | 0.721 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -78.6 | 60.2 | -178.9 | 34.4 | -36.3 | 0 | 0 | 0 | 111.3 | S902 | S902-P1019 PolarHBondContact OG-O 3.32Š|
| 1020 | S | 76 | Confident | 80.2 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | trans | -119.9 | 128.1 | 176.2 | -168.1 | 0 | 0 | 0 | 0 | 111.3 | E903 A1018 V1022 | E903-S1020 WeakPolarHBondContact O-CB 3.24Å; E903-S1020 PolarHBondContact O-OG 3.14Å; A1018-S1020 PolarHBondContact O-N 2.95Å; S1020-V1022 PolarHBondContact O-N 3.05Å; S1020-V1022 PolarHBondContact OG-N 2.63Å; S1020-V1022 PolarHBondContact OG-O 3.17Å | ||
| 1021 | E | 75.6 | Confident | 79.9 | Confident | 91 Ų | 91 | 38.1 Ų | 38.1 | 43% | 0.425 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -72 | -20.5 | 171.3 | -61 | -166 | 174.5 | 0 | 0 | 112.9 | K752 A901 S902 | K752-E1021 HydrophobicContact CD-CB 4.5Å; K752-E1021 IonicContact NZ-OE2 3.14Å; K752-E1021 PolarHBondContact NZ-OE2 3.37Å; A901-E1021 HydrophobicContact CB-CB 4.17Å; S902-E1021 PolarHBondContact OG-N 3.2Å |
| 1022 | V | 78.7 | Confident | 79.5 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | trans | -100.9 | 90.1 | 178 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | Y737 K752 P754 A901 A904 S1020 Y1024 | Y737-V1022 HydrophobicContact CD2-CG1 4.44Å; Y737-V1022 HydrophobicContact CE2-CG1 4.06Å; K752-V1022 HydrophobicContact CB-CG2 4.24Å; P754-V1022 HydrophobicContact CG-CB 4.43Å; P754-V1022 HydrophobicContact CG-CG2 4.08Å; A901-V1022 HydrophobicContact CB-CG2 4.37Å; A904-V1022 HydrophobicContact CB-CB 3.99Å; A904-V1022 HydrophobicContact CB-CG1 4.33Å; S1020-V1022 PolarHBondContact O-N 3.05Å; S1020-V1022 PolarHBondContact OG-N 2.63Å; S1020-V1022 PolarHBondContact OG-O 3.17Å; V1022-Y1024 VanDerWaalsContact C-N 3.31Å; V1022-Y1024 PolarHBondContact O-N 2.86Å | ||
| 1023 | K | 77.9 | Confident | 79.4 | Confident | 122 Ų | 122 | 41.5 Ų | 41.5 | 53% | 0.53 | 25% | 0.248 | S | C | . | . | trans | -70.7 | -19.4 | -169 | -63.7 | -173.7 | 178.1 | -176.9 | 0 | 115.3 | M729 C1013 C1014 | M729-K1023 HydrophobicContact CE-CB 4.03Å; C1013-K1023 WeakPolarHBondContact CA-O 3.4Å; C1014-K1023 PolarHBondContact N-O 2.94Å | ||
| 1024 | Y | 84.4 | Confident | 79.3 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 165.7 | -178.3 | 61.2 | -84.6 | 0 | 0 | 0 | 111.4 | M729 F734 V735 F1011 W1012 V1022 | M729-Y1024 HydrophobicContact CE-CD1 3.22Å; M729-Y1024 HydrophobicContact CE-CE1 3.85Å; M729-Y1024 HydrophobicContact CE-CG 3.98Å; F734-Y1024 HydrophobicContact CD2-CE1 4.36Å; F734-Y1024 HydrophobicContact CD2-CE2 4.07Å; F734-Y1024 AromaticContact CD2-CZ 3.72Å; F734-Y1024 WeakPolarHBondContact CD2-OH 3.47Å; F734-Y1024 HydrophobicContact CE2-CD2 4.37Å; F734-Y1024 AromaticContact CE2-CE2 3.53Å; F734-Y1024 HydrophobicContact CE2-CE2 3.53Å; F734-Y1024 AromaticContact CE2-CZ 3.64Å; F734-Y1024 WeakPolarHBondContact CE2-OH 3.47Å; V735-Y1024 PolarHBondContact N-OH 3.45Å; V735-Y1024 VanDerWaalsContact N-OH 3.15Å; V735-Y1024 PolarHBondContact O-OH 2.9Å; F1011-Y1024 HydrophobicContact CD2-CD2 4.49Å; F1011-Y1024 AromaticContact CE2-CD2 3.51Å; F1011-Y1024 HydrophobicContact CE2-CD2 3.51Å; F1011-Y1024 HydrophobicContact CE2-CE2 4.12Å; F1011-Y1024 HydrophobicContact CE2-CG 4.05Å; F1011-Y1024 AromaticContact CZ-CD2 3.78Å; F1011-Y1024 HydrophobicContact CZ-CD2 3.78Å; F1011-Y1024 AromaticContact CZ-CG 3.81Å; F1011-Y1024 HydrophobicContact CZ-CG 3.81Å; W1012-Y1024 CarbonylContact O-C 3.56Å; W1012-Y1024 WeakPolarHBondContact O-CA 3.29Å; W1012-Y1024 VanDerWaalsContact O-CB 3.28Å; W1012-Y1024 WeakPolarHBondContact O-CB 3.45Å; V1022-Y1024 VanDerWaalsContact C-N 3.31Å; V1022-Y1024 PolarHBondContact O-N 2.86Å |
| 1025 | R | 84.4 | Confident | 79.6 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 160.2 | -176 | -64.6 | -68.6 | -72.3 | -99.8 | 0.8 | 110.5 | Q757 P905 F1011 W1012 | Q757-R1025 VanDerWaalsContact CD-NH2 3.28Å; Q757-R1025 VanDerWaalsContact NE2-NH2 3.16Å; P905-R1025 HydrophobicContact CG-CG 4.33Å; P905-R1025 WeakPolarHBondContact O-CG 3.46Å; F1011-R1025 WeakPolarHBondContact CA-O 3.3Å; W1012-R1025 HydrophobicContact CD2-CB 3.81Å; W1012-R1025 HydrophobicContact CE3-CB 4.27Å; W1012-R1025 HydrophobicContact CG-CB 4.45Å; W1012-R1025 HydrophobicContact CH2-CB 3.79Å; W1012-R1025 HydrophobicContact CZ2-CB 3.25Å; W1012-R1025 HydrophobicContact CZ2-CG 4.02Å; W1012-R1025 HydrophobicContact CZ3-CB 4.25Å; W1012-R1025 PolarHBondContact N-O 3.46Å; W1012-R1025 PolarHBondContact O-N 2.85Å |
| 1026 | T | 85.1 | Confident | 80.2 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.5 | -180 | 51.6 | 0 | 0 | 0 | 0 | 111 | I700 Y708 E721 L1009 F1010 F1011 | I700-T1026 WeakPolarHBondContact CD1-O 3.18Å; Y708-T1026 PolarHBondContact OH-O 2.89Å; Y708-T1026 VanDerWaalsContact OH-O 3.11Å; E721-T1026 HydrophobicContact CG-CG2 4.1Å; L1009-T1026 HydrophobicContact CD1-CG2 4.18Å; F1010-T1026 CarbonylContact O-C 3.57Å; F1010-T1026 WeakPolarHBondContact O-CA 3.31Å; F1011-T1026 HydrophobicContact CB-CG2 4.44Å; F1011-T1026 HydrophobicContact CD2-CG2 3.58Å; F1011-T1026 HydrophobicContact CE2-CG2 4.29Å; F1011-T1026 HydrophobicContact CG-CG2 4.41Å |
| 1027 | F | 85.1 | Confident | 80.9 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128.5 | 167.7 | 170.3 | -113 | 0 | 0 | 0 | 108.3 | E704 F909 F1010 W1012 W1029 | E704-F1027 HydrophobicContact CB-CD2 4.49Å; E704-F1027 HydrophobicContact CB-CE2 4.03Å; E704-F1027 VanDerWaalsContact CD-CD2 3.43Å; E704-F1027 VanDerWaalsContact CD-CE2 3.45Å; E704-F1027 HydrophobicContact CG-CD2 4.12Å; E704-F1027 HydrophobicContact CG-CE2 3.62Å; E704-F1027 WeakPolarHBondContact OE2-CD2 3.2Å; F909-F1027 HydrophobicContact CB-CD1 3.87Å; F909-F1027 HydrophobicContact CB-CE1 3.72Å; F909-F1027 HydrophobicContact CB-CZ 4.46Å; F909-F1027 HydrophobicContact CD1-CD1 4.34Å; F909-F1027 HydrophobicContact CD2-CB 3.8Å; F909-F1027 AromaticContact CD2-CD1 3.46Å; F909-F1027 HydrophobicContact CD2-CD1 3.46Å; F909-F1027 VanDerWaalsContact CD2-CD1 3.46Å; F909-F1027 HydrophobicContact CD2-CE1 4.16Å; F909-F1027 AromaticContact CD2-CG 3.68Å; F909-F1027 HydrophobicContact CD2-CG 3.68Å; F909-F1027 HydrophobicContact CE2-CB 3.66Å; F909-F1027 HydrophobicContact CE2-CD1 4.08Å; F909-F1027 HydrophobicContact CE2-CG 4.08Å; F909-F1027 AromaticContact CG-CD1 3.62Å; F909-F1027 HydrophobicContact CG-CD1 3.62Å; F909-F1027 HydrophobicContact CG-CE1 4.03Å; F909-F1027 HydrophobicContact CG-CG 4.32Å; F909-F1027 HydrophobicContact CZ-CB 4.45Å; F1010-F1027 HydrophobicContact CB-CB 4.17Å; F1010-F1027 HydrophobicContact CB-CD1 4.38Å; F1010-F1027 AromaticContact CD2-CD1 3.43Å; F1010-F1027 HydrophobicContact CD2-CD1 3.43Å; F1010-F1027 VanDerWaalsContact CD2-CD1 3.43Å; F1010-F1027 HydrophobicContact CD2-CE1 4.06Å; F1010-F1027 HydrophobicContact CD2-CG 4.41Å; F1010-F1027 AromaticContact CE2-CD1 3.95Å; F1010-F1027 HydrophobicContact CE2-CD1 3.95Å; F1010-F1027 HydrophobicContact CE2-CE1 4.1Å; F1010-F1027 HydrophobicContact CG-CD1 4.08Å; F1010-F1027 PolarHBondContact N-O 3.34Å; F1010-F1027 PolarHBondContact O-N 2.5Å; W1012-F1027 HydrophobicContact CH2-CB 4.18Å; W1012-F1027 HydrophobicContact CZ3-CB 3.84Å; F1027-W1029 HydrophobicContact CE1-CB 3.96Å; F1027-W1029 HydrophobicContact CZ-CB 4.37Å |
| 1028 | R | 85 | Confident | 81.8 | Confident | 31 Ų | 31 | 37.6 Ų | 37.6 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 131.3 | 179.2 | -63.8 | -179.1 | -178 | 170.4 | 1.4 | 107.3 | C707 Y708 W717 E721 L1009 | C707-R1028 WeakPolarHBondContact CB-O 3.28Å; Y708-R1028 HydrophobicContact CD1-CB 4.46Å; Y708-R1028 HydrophobicContact CD1-CG 4.27Å; Y708-R1028 HydrophobicContact CE1-CB 4.21Å; Y708-R1028 HydrophobicContact CE1-CG 3.94Å; W717-R1028 HydrophobicContact CD2-CG 4.06Å; W717-R1028 HydrophobicContact CE3-CB 4.33Å; W717-R1028 HydrophobicContact CE3-CG 3.73Å; W717-R1028 HydrophobicContact CH2-CB 3.73Å; W717-R1028 HydrophobicContact CH2-CG 4.07Å; W717-R1028 HydrophobicContact CZ2-CB 4.12Å; W717-R1028 HydrophobicContact CZ2-CG 4.41Å; W717-R1028 HydrophobicContact CZ3-CB 3.85Å; W717-R1028 HydrophobicContact CZ3-CG 3.72Å; E721-R1028 IonicContact OE1-CZ 3.47Å; E721-R1028 IonicContact OE1-NE 2.76Å; E721-R1028 PolarHBondContact OE1-NE 3.32Å; E721-R1028 IonicContact OE1-NH2 3.25Å; E721-R1028 PolarHBondContact OE1-NH2 3.27Å; L1009-R1028 HydrophobicContact CD1-CG 3.94Å |
| 1029 | W | 85.6 | Confident | 82.7 | Confident | 27 Ų | 27 | 36.6 Ų | 36.6 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 140.5 | 173.5 | -178.3 | 75.7 | 0 | 0 | 0 | 109.8 | L911 Y913 L990 I992 L1006 V1008 F1010 F1027 A1031 | L911-W1029 HydrophobicContact CD1-CD2 3.84Å; L911-W1029 HydrophobicContact CD1-CE3 4.21Å; L911-W1029 HydrophobicContact CD1-CG 4.22Å; L911-W1029 HydrophobicContact CD1-CH2 4.42Å; L911-W1029 HydrophobicContact CD1-CZ2 4.11Å; L911-W1029 HydrophobicContact CD1-CZ3 4.47Å; L911-W1029 HydrophobicContact CD2-CD2 4.35Å; L911-W1029 VanDerWaalsContact CD2-CE2 3.46Å; L911-W1029 HydrophobicContact CD2-CH2 3.96Å; L911-W1029 HydrophobicContact CD2-CZ2 3.24Å; L911-W1029 HydrophobicContact CG-CZ2 4.33Å; Y913-W1029 HydrophobicContact CD1-CH2 4.25Å; Y913-W1029 AromaticContact CD1-CZ2 3.97Å; Y913-W1029 HydrophobicContact CD1-CZ2 3.97Å; Y913-W1029 HydrophobicContact CD2-CH2 4.12Å; Y913-W1029 HydrophobicContact CD2-CZ2 4.45Å; Y913-W1029 AromaticContact CG-CH2 3.92Å; Y913-W1029 HydrophobicContact CG-CH2 3.92Å; Y913-W1029 AromaticContact CG-CZ2 3.8Å; Y913-W1029 HydrophobicContact CG-CZ2 3.8Å; L990-W1029 HydrophobicContact CD2-CE3 4.33Å; L990-W1029 HydrophobicContact CD2-CH2 4.43Å; L990-W1029 HydrophobicContact CD2-CZ3 3.8Å; I992-W1029 HydrophobicContact CD1-CH2 4.09Å; I992-W1029 HydrophobicContact CD1-CZ3 4.23Å; L1006-W1029 HydrophobicContact CD2-CZ3 3.91Å; L1006-W1029 HydrophobicContact CG-CZ3 4.5Å; V1008-W1029 HydrophobicContact CB-CB 4.48Å; V1008-W1029 HydrophobicContact CB-CE3 3.9Å; V1008-W1029 HydrophobicContact CG2-CE3 3.65Å; V1008-W1029 HydrophobicContact CG2-CZ3 3.94Å; V1008-W1029 PolarHBondContact N-O 2.81Å; V1008-W1029 PolarHBondContact O-N 2.86Å; F1010-W1029 HydrophobicContact CD2-CB 4.49Å; F1010-W1029 HydrophobicContact CE2-CB 3.82Å; F1027-W1029 HydrophobicContact CE1-CB 3.96Å; F1027-W1029 HydrophobicContact CZ-CB 4.37Å; W1029-A1031 HydrophobicContact CH2-CB 3.44Å; W1029-A1031 VanDerWaalsContact CH2-CB 3.44Å; W1029-A1031 HydrophobicContact CZ2-CB 3.66Å; W1029-A1031 HydrophobicContact CZ3-CB 3.99Å |
| 1030 | R | 82.7 | Confident | 83.4 | Confident | 53 Ų | 53 | 36.3 Ų | 36.3 | 20% | 0.2 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.9 | -179.8 | -59.4 | -176.1 | -165 | 165.8 | 7.9 | 109.9 | C707 E709 W717 L1005 L1006 R1007 | C707-R1030 PolarHBondContact O-NE 3.04Å; C707-R1030 PolarHBondContact O-NH2 2.68Å; C707-R1030 VanDerWaalsContact O-NH2 3.13Å; E709-R1030 PolarHBondContact O-NH1 3Å; E709-R1030 PolarHBondContact O-NH2 3.26Å; E709-R1030 VanDerWaalsContact O-NH2 3.16Å; W717-R1030 HydrophobicContact CH2-CG 4.34Å; W717-R1030 HydrophobicContact CZ2-CG 3.95Å; L1005-R1030 HydrophobicContact CD1-CB 4.29Å; L1006-R1030 VanDerWaalsContact O-CA 3.29Å; L1006-R1030 WeakPolarHBondContact O-CA 3.49Å; R1007-R1030 HydrophobicContact CG-CG 4.47Å |
| 1031 | A | 81.9 | Confident | 83.8 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 5% | 0.05 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 128.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y913 L1006 W1029 | Y913-A1031 HydrophobicContact CD1-CB 3.89Å; Y913-A1031 HydrophobicContact CE1-CB 3.47Å; Y913-A1031 VanDerWaalsContact CE1-CB 3.47Å; L1006-A1031 PolarHBondContact N-O 3.1Å; L1006-A1031 PolarHBondContact O-N 3.16Å; W1029-A1031 HydrophobicContact CH2-CB 3.44Å; W1029-A1031 VanDerWaalsContact CH2-CB 3.44Å; W1029-A1031 HydrophobicContact CZ2-CB 3.66Å; W1029-A1031 HydrophobicContact CZ3-CB 3.99Å |
| 1032 | A | 83 | Confident | 84.3 | Confident | 50 Ų | 50 | 34.7 Ų | 34.7 | 41% | 0.413 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 139.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | N1004 | N1004-A1032 CarbonylContact O-C 3.56Å; N1004-A1032 VanDerWaalsContact O-CA 3.29Å; N1004-A1032 WeakPolarHBondContact O-CA 3.4Å |
| 1033 | Y | 85.8 | Confident | 84.3 | Confident | 20 Ų | 20 | 36.1 Ų | 36.1 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 157.6 | 172.8 | 63.8 | -85 | 0 | 0 | 0 | 111.7 | Y913 Y918 A994 V995 N1004 L1006 V1035 | Y913-Y1033 WeakPolarHBondContact OH-CB 3.05Å; Y918-Y1033 HydrophobicContact CD2-CD2 4.37Å; Y918-Y1033 HydrophobicContact CD2-CG 4.34Å; A994-Y1033 HydrophobicContact CB-CD2 4.35Å; A994-Y1033 HydrophobicContact CB-CE2 4.05Å; V995-Y1033 PolarHBondContact O-OH 2.71Å; N1004-Y1033 WeakPolarHBondContact CA-O 3.44Å; N1004-Y1033 HydrophobicContact CB-CD1 4.49Å; N1004-Y1033 HydrophobicContact CB-CD2 4.23Å; N1004-Y1033 HydrophobicContact CB-CE1 4.13Å; N1004-Y1033 HydrophobicContact CB-CE2 3.84Å; N1004-Y1033 WeakPolarHBondContact CB-O 3.41Å; N1004-Y1033 PolarHBondContact N-O 3.03Å; N1004-Y1033 PolarHBondContact O-N 3.43Å; L1006-Y1033 HydrophobicContact CB-CE1 4.04Å; Y1033-V1035 HydrophobicContact CD2-CG2 3.73Å; Y1033-V1035 HydrophobicContact CE2-CG2 3.48Å; Y1033-V1035 VanDerWaalsContact CE2-CG2 3.48Å |
| 1034 | T | 85.1 | Confident | 84.2 | Confident | 42 Ų | 42 | 35.6 Ų | 35.6 | 26% | 0.258 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 143.1 | 175.7 | 45.6 | 0 | 0 | 0 | 0 | 109.3 | G916 K917 Y918 T1003 | G916-T1034 PolarHBondContact O-N 3.4Å; G916-T1034 VanDerWaalsContact O-N 3.1Å; G916-T1034 PolarHBondContact O-OG1 3.24Å; K917-T1034 WeakPolarHBondContact CA-O 2.83Å; K917-T1034 WeakPolarHBondContact CG-OG1 3.04Å; Y918-T1034 PolarHBondContact N-O 3.45Å; T1003-T1034 HydrophobicContact CG2-CG2 3.91Å |
| 1035 | V | 86.3 | Confident | 83.6 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.3 | -177.6 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | Y918 E920 A994 Y1033 | Y918-V1035 CarbonylContact O-C 3.53Å; Y918-V1035 VanDerWaalsContact O-CA 3.26Å; Y918-V1035 WeakPolarHBondContact O-CA 3.43Å; E920-V1035 HydrophobicContact CB-CG1 3.44Å; E920-V1035 VanDerWaalsContact CB-CG1 3.44Å; E920-V1035 HydrophobicContact CG-CG1 3.92Å; A994-V1035 HydrophobicContact CB-CG2 4.39Å; Y1033-V1035 HydrophobicContact CD2-CG2 3.73Å; Y1033-V1035 HydrophobicContact CE2-CG2 3.48Å; Y1033-V1035 VanDerWaalsContact CE2-CG2 3.48Å |
| 1036 | V | 86 | Confident | 82.6 | Confident | 48 Ų | 48 | 42.1 Ų | 42.1 | 29% | 0.291 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 147.4 | 170.8 | -64.4 | 0 | 0 | 0 | 0 | 110 | Y918 F919 E920 S1038 | Y918-V1036 WeakPolarHBondContact O-CG2 3.46Å; Y918-V1036 PolarHBondContact O-N 3.18Å; F919-V1036 CarbonylContact C-O 3.57Å; F919-V1036 WeakPolarHBondContact CA-O 3.43Å; F919-V1036 HydrophobicContact CD1-CG2 3.54Å; F919-V1036 HydrophobicContact CE1-CG2 3.81Å; F919-V1036 HydrophobicContact CG-CG2 4.15Å; E920-V1036 PolarHBondContact N-O 2.83Å; V1036-S1038 PolarHBondContact O-N 3.49Å |
| 1037 | P | 84.9 | Confident | 81.4 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 45% | 0.448 | 25% | 0.25 | S | S | . | . | trans | -55.7 | 138.5 | 179 | -25 | 34.3 | 0 | 0 | 0 | 112.5 | W1070 | P1037-W1070 HydrophobicContact CB-CB 4.12Å; P1037-W1070 HydrophobicContact CB-CE3 4.14Å | ||
| 1038 | S | 86.4 | Confident | 80 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -123.9 | -92.4 | -177.5 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | E920 V1036 N1069 W1070 S1071 | E920-S1038 WeakPolarHBondContact CB-OG 3.48Å; E920-S1038 VanDerWaalsContact O-CB 3.3Å; E920-S1038 WeakPolarHBondContact O-CB 3.28Å; E920-S1038 PolarHBondContact O-OG 3.27Å; V1036-S1038 PolarHBondContact O-N 3.49Å; S1038-N1069 PolarHBondContact O-OD1 3.43Å; S1038-W1070 CarbonylContact O-C 3.59Å; S1038-W1070 VanDerWaalsContact O-CA 3.29Å; S1038-W1070 WeakPolarHBondContact O-CA 3.44Å; S1038-W1070 WeakPolarHBondContact O-CB 3.4Å; S1038-W1070 PolarHBondContact O-N 2.85Å; S1038-S1071 PolarHBondContact O-N 3.06Å | ||
| 1039 | V | 86.3 | Confident | 78.1 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.4 | 178.2 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | V1067 L1068 M1076 L1167 W1169 | V1039-V1067 HydrophobicContact CG1-CG1 3.27Å; V1039-L1068 WeakPolarHBondContact CA-O 2.97Å; V1039-M1076 HydrophobicContact CG2-CB 4.23Å; V1039-M1076 HydrophobicContact CG2-CG 3.98Å; V1039-M1076 HydrophobicContact CG2-SD 4.08Å; V1039-L1167 HydrophobicContact CG1-CD2 4.01Å; V1039-W1169 HydrophobicContact CG2-CD2 4.36Å; V1039-W1169 HydrophobicContact CG2-CG 4.13Å |
| 1040 | K | 85.9 | Confident | 76 | Confident | 105 Ų | 105 | 59.3 Ų | 59.3 | 46% | 0.457 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 112.3 | 171.6 | -174.1 | 177.4 | -175.9 | 178.7 | 0 | 108.8 | L1068 W1070 | K1040-L1068 PolarHBondContact N-O 2.77Å; K1040-L1068 PolarHBondContact O-N 2.89Å; K1040-W1070 HydrophobicContact CB-CD2 3.92Å; K1040-W1070 HydrophobicContact CB-CE3 4.03Å; K1040-W1070 HydrophobicContact CB-CG 4.16Å; K1040-W1070 HydrophobicContact CD-CD2 3.97Å; K1040-W1070 HydrophobicContact CD-CE3 4.02Å; K1040-W1070 HydrophobicContact CD-CH2 3.68Å; K1040-W1070 HydrophobicContact CD-CZ2 3.57Å; K1040-W1070 HydrophobicContact CD-CZ3 3.88Å; K1040-W1070 HydrophobicContact CG-CE3 4.48Å |
| 1041 | A | 84.8 | Confident | 73.9 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1066 L1167 T1187 L1189 | A1041-S1066 CarbonylContact C-O 3.58Å; A1041-S1066 WeakPolarHBondContact CA-O 3.5Å; A1041-L1167 HydrophobicContact CB-CD2 4.37Å; A1041-T1187 HydrophobicContact CB-CG2 3.94Å; A1041-L1189 HydrophobicContact CB-CD1 3.64Å; A1041-L1189 HydrophobicContact CB-CG 4.4Å; A1041-L1189 WeakPolarHBondContact O-CD2 3.18Å |
| 1042 | S | 84.2 | Confident | 71.7 | Confident | 57 Ų | 57 | 71 Ų | 71 | 40% | 0.399 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 149.2 | 169.1 | 69.3 | 0 | 0 | 0 | 0 | 109.7 | L1065 S1066 | S1042-L1065 WeakPolarHBondContact O-CA 3.38Å; S1042-S1066 PolarHBondContact N-O 2.76Å; S1042-S1066 PolarHBondContact O-N 2.88Å |
| 1043 | I | 79.1 | Confident | 69.6 | Low | 39 Ų | 39 | 76 Ų | 76 | 20% | 0.2 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.7 | -175.5 | -172 | 176.7 | 0 | 0 | 0 | 110.3 | I1063 L1065 I1165 L1189 V1191 | I1043-I1063 HydrophobicContact CD1-CG2 3.98Å; I1043-I1063 HydrophobicContact CG1-CG2 4.02Å; I1043-L1065 HydrophobicContact CB-CD2 4.12Å; I1043-L1065 HydrophobicContact CD1-CD2 4.48Å; I1043-L1065 HydrophobicContact CG1-CD2 4.13Å; I1043-I1165 HydrophobicContact CD1-CD1 3.57Å; I1043-I1165 HydrophobicContact CD1-CG1 4.5Å; I1043-L1189 HydrophobicContact CB-CD1 4.18Å; I1043-V1191 HydrophobicContact CD1-CG2 3.96Å |
| 1044 | Q | 76.2 | Confident | 67.3 | Low | 111 Ų | 111 | 80.9 Ų | 80.9 | 52% | 0.519 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 141.2 | 162.7 | -60.5 | -177.2 | 7.5 | 0 | 0 | 108.5 | V1064 | Q1044-V1064 HydrophobicContact CB-CB 4.33Å; Q1044-V1064 PolarHBondContact N-O 2.86Å; Q1044-V1064 PolarHBondContact O-N 3.48Å |
| 1045 | Y | 72.3 | Confident | 65.1 | Low | 72 Ų | 72 | 86.1 Ų | 86.1 | 28% | 0.282 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.3 | 174.1 | 49.8 | -98.8 | 0 | 0 | 0 | 110.9 | L1062 V1191 P1195 | Y1045-L1062 CarbonylContact C-O 3.59Å; Y1045-L1062 WeakPolarHBondContact CA-O 3.44Å; Y1045-V1191 HydrophobicContact CD1-CG1 4.48Å; Y1045-V1191 HydrophobicContact CE1-CG1 4.5Å; Y1045-P1195 HydrophobicContact CD2-CB 3.68Å; Y1045-P1195 HydrophobicContact CD2-CG 3.61Å; Y1045-P1195 HydrophobicContact CE2-CB 3.48Å; Y1045-P1195 VanDerWaalsContact CE2-CB 3.48Å; Y1045-P1195 HydrophobicContact CE2-CG 3.34Å; Y1045-P1195 HydrophobicContact CG-CG 4.4Å |
| 1046 | K | 63.7 | Low | 63 | Low | 94 Ų | 94 | 90.4 Ų | 90.4 | 41% | 0.409 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.4 | 177.1 | -67.7 | -178.7 | -177.5 | 174 | 0 | 110.2 | L1048 L1062 | K1046-L1048 PolarHBondContact O-N 3.1Å; K1046-L1062 PolarHBondContact N-O 2.98Å; K1046-L1062 PolarHBondContact O-N 3.28Å |
| 1047 | P | 60 | Low | 60.9 | Low | 102 Ų | 102 | 93.7 Ų | 93.7 | 66% | 0.662 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 128.9 | 172.6 | 26 | -30.5 | 0 | 0 | 0 | 109.9 | ||
| 1048 | L | 54.9 | Low | 59 | Low | 60 Ų | 60 | 93.7 Ų | 93.7 | 31% | 0.314 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 122.7 | 173.8 | -76.3 | 156.8 | 0 | 0 | 0 | 109.4 | K1046 R1060 L1062 V1114 | K1046-L1048 PolarHBondContact O-N 3.1Å; L1048-R1060 HydrophobicContact CB-CB 4.38Å; L1048-R1060 HydrophobicContact CD1-CB 3.91Å; L1048-R1060 PolarHBondContact N-O 3.39Å; L1048-L1062 HydrophobicContact CD1-CB 4.14Å; L1048-L1062 HydrophobicContact CD2-CB 4.47Å; L1048-L1062 HydrophobicContact CG-CB 4.14Å; L1048-V1114 HydrophobicContact CD1-CG1 4.24Å; L1048-V1114 HydrophobicContact CD1-CG2 3.86Å |
| 1049 | P | 44.8 | Very low | 57.5 | Low | 107 Ų | 107 | 95.8 Ų | 95.8 | 70% | 0.695 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 147.5 | 174.3 | -15 | 28.2 | 0 | 0 | 0 | 111.7 | T1051 | P1049-T1051 PolarHBondContact O-N 3.39Š|
| 1050 | H | 41.1 | Very low | 56.2 | Low | 162 Ų | 162 | 101.4 Ų | 101.4 | 75% | 0.75 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -55 | 119.5 | -178.3 | -59.2 | -80.3 | 0 | 0 | 0 | 113.2 | ||
| 1051 | T | 39.8 | Very low | 55.4 | Low | 97 Ų | 97 | 96.7 Ų | 96.7 | 60% | 0.595 | 53% | 0.525 | S | S | * | . | trans | -179.5 | 111 | 140.9 | 32.7 | 0 | 0 | 0 | 0 | 109.4 | P1049 | P1049-T1051 PolarHBondContact O-N 3.39Š| ||
| 1052 | Y | 35.5 | Very low | 54.8 | Low | 208 Ų | 208 | 97 Ų | 97 | 82% | 0.816 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 171.1 | 108 | 138.5 | -90.9 | -69.7 | 0 | 0 | 0 | 106.4 | ||
| 1053 | L | 37.7 | Very low | 54.4 | Low | 155 Ų | 155 | 94.6 Ų | 94.6 | 81% | 0.812 | 51% | 0.507 | S | S | * | . | trans | 88.9 | 131.1 | 178.7 | -62.7 | 152.6 | 0 | 0 | 0 | 117.3 | D1055 | L1053-D1055 VanDerWaalsContact C-N 3.3Å; L1053-D1055 PolarHBondContact O-N 3.02Å | ||
| 1054 | P | 37.9 | Very low | 54.4 | Low | 123 Ų | 123 | 93.2 Ų | 93.2 | 80% | 0.799 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.3 | -174.4 | -11.7 | 28.5 | 0 | 0 | 0 | 115.9 | ||
| 1055 | D | 40.5 | Very low | 54.5 | Low | 151 Ų | 151 | 88.1 Ų | 88.1 | 81% | 0.807 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | 20.2 | -163.4 | -74.4 | -31.4 | 0 | 0 | 0 | 116.4 | L1053 | L1053-D1055 VanDerWaalsContact C-N 3.3Å; L1053-D1055 PolarHBondContact O-N 3.02Å |
| 1056 | V | 41.3 | Very low | 54.9 | Low | 121 Ų | 121 | 85.5 Ų | 85.5 | 73% | 0.733 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -132.6 | 118.5 | 172.4 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1057 | P | 40.8 | Very low | 55.9 | Low | 117 Ų | 117 | 81 Ų | 81 | 76% | 0.76 | 45% | 0.45 | S | S | * | . | trans | -77.7 | 134.8 | -175.6 | 30.6 | -31.8 | 0 | 0 | 0 | 112.2 | ||||
| 1058 | A | 45.8 | Very low | 57 | Low | 69 Ų | 69 | 78 Ų | 78 | 57% | 0.57 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 35.9 | 134.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||
| 1059 | S | 54.7 | Low | 58.6 | Low | 43 Ų | 43 | 75.1 Ų | 75.1 | 30% | 0.301 | 41% | 0.413 | S | S | . | . | trans | 88.3 | 66.4 | 167.1 | 68.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1060 | R | 60.2 | Low | 60.4 | Low | 124 Ų | 124 | 75.7 Ų | 75.7 | 47% | 0.468 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.5 | 151.7 | -71.5 | -174.6 | -179.9 | -179.6 | 2.5 | 109.2 | L1048 V1114 S1115 A1116 | L1048-R1060 HydrophobicContact CB-CB 4.38Å; L1048-R1060 HydrophobicContact CD1-CB 3.91Å; L1048-R1060 PolarHBondContact N-O 3.39Å; R1060-V1114 HydrophobicContact CB-CG1 3.89Å; R1060-V1114 HydrophobicContact CG-CG1 4.08Å; R1060-S1115 CarbonylContact C-O 3.58Å; R1060-S1115 VanDerWaalsContact CA-O 3.31Å; R1060-S1115 WeakPolarHBondContact CA-O 3.29Å; R1060-A1116 HydrophobicContact CG-CB 4.41Å |
| 1061 | L | 68.4 | Low | 62.2 | Low | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.2 | 173.8 | -77.2 | 160.5 | 0 | 0 | 0 | 108.6 | I1063 V1114 S1115 P1195 F1196 | L1061-I1063 PolarHBondContact O-N 3.37Å; L1061-V1114 WeakPolarHBondContact O-CA 3.42Å; L1061-S1115 PolarHBondContact N-O 3Å; L1061-S1115 PolarHBondContact O-N 2.77Å; L1061-P1195 HydrophobicContact CD1-CG 4.14Å; L1061-P1195 HydrophobicContact CD2-CB 4.01Å; L1061-P1195 HydrophobicContact CD2-CG 4.39Å; L1061-F1196 HydrophobicContact CD1-CD1 4.08Å; L1061-F1196 HydrophobicContact CD1-CD2 4.23Å; L1061-F1196 HydrophobicContact CD1-CE1 3.53Å; L1061-F1196 HydrophobicContact CD1-CE2 3.7Å; L1061-F1196 HydrophobicContact CD1-CG 4.41Å; L1061-F1196 HydrophobicContact CD1-CZ 3.32Å |
| 1062 | L | 72.8 | Confident | 64 | Low | 18 Ų | 18 | 72.2 Ų | 72.2 | 9% | 0.094 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 118.4 | 164.4 | 179.3 | 67.3 | 0 | 0 | 0 | 107.3 | Y1045 K1046 L1048 V1064 C1112 V1114 | Y1045-L1062 CarbonylContact C-O 3.59Å; Y1045-L1062 WeakPolarHBondContact CA-O 3.44Å; K1046-L1062 PolarHBondContact N-O 2.98Å; K1046-L1062 PolarHBondContact O-N 3.28Å; L1048-L1062 HydrophobicContact CD1-CB 4.14Å; L1048-L1062 HydrophobicContact CD2-CB 4.47Å; L1048-L1062 HydrophobicContact CG-CB 4.14Å; L1062-V1064 HydrophobicContact CD2-CG2 4.05Å; L1062-V1064 HydrophobicContact CG-CG2 4Å; L1062-C1112 HydrophobicContact CD1-CB 4.22Å; L1062-V1114 HydrophobicContact CD1-CG2 4.15Å |
| 1063 | I | 76.1 | Confident | 65.9 | Low | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.036 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 119.1 | 173.2 | -66.3 | 157.8 | 0 | 0 | 0 | 107.1 | I1043 L1061 L1065 L1091 C1112 C1113 I1165 | I1043-I1063 HydrophobicContact CD1-CG2 3.98Å; I1043-I1063 HydrophobicContact CG1-CG2 4.02Å; L1061-I1063 PolarHBondContact O-N 3.37Å; I1063-L1065 HydrophobicContact CG2-CD2 4.23Å; I1063-L1065 HydrophobicContact CG2-CG 3.99Å; I1063-L1091 HydrophobicContact CD1-CD2 3.91Å; I1063-C1112 CarbonylContact O-C 3.58Å; I1063-C1112 WeakPolarHBondContact O-CA 3.48Å; I1063-C1113 PolarHBondContact N-O 2.91Å; I1063-C1113 PolarHBondContact O-N 3.44Å; I1063-I1165 HydrophobicContact CD1-CD1 3.55Å; I1063-I1165 HydrophobicContact CG1-CD1 4.14Å; I1063-I1165 HydrophobicContact CG2-CD1 3.73Å |
| 1064 | V | 77.4 | Confident | 67.9 | Low | 11 Ų | 11 | 61.8 Ų | 61.8 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 111.3 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 107 | Q1044 L1062 T1110 | Q1044-V1064 HydrophobicContact CB-CB 4.33Å; Q1044-V1064 PolarHBondContact N-O 2.86Å; Q1044-V1064 PolarHBondContact O-N 3.48Å; L1062-V1064 HydrophobicContact CD2-CG2 4.05Å; L1062-V1064 HydrophobicContact CG-CG2 4Å; V1064-T1110 HydrophobicContact CG1-CG2 3.4Å |
| 1065 | L | 79.1 | Confident | 70.2 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 115.6 | 175.6 | -66.9 | 168.8 | 0 | 0 | 0 | 108.8 | S1042 I1043 I1063 V1067 V1081 T1110 I1111 I1165 L1189 | S1042-L1065 WeakPolarHBondContact O-CA 3.38Å; I1043-L1065 HydrophobicContact CB-CD2 4.12Å; I1043-L1065 HydrophobicContact CD1-CD2 4.48Å; I1043-L1065 HydrophobicContact CG1-CD2 4.13Å; I1063-L1065 HydrophobicContact CG2-CD2 4.23Å; I1063-L1065 HydrophobicContact CG2-CG 3.99Å; L1065-V1067 HydrophobicContact CB-CG2 4.34Å; L1065-V1081 HydrophobicContact CD1-CG1 3.7Å; L1065-V1081 HydrophobicContact CD1-CG2 4.01Å; L1065-T1110 CarbonylContact O-C 3.57Å; L1065-T1110 WeakPolarHBondContact O-CA 3.42Å; L1065-I1111 HydrophobicContact CB-CB 4.27Å; L1065-I1111 PolarHBondContact N-O 2.84Å; L1065-I1111 PolarHBondContact O-N 2.71Å; L1065-I1165 HydrophobicContact CD1-CG2 4.18Å; L1065-I1165 HydrophobicContact CD2-CG2 4.28Å; L1065-L1189 HydrophobicContact CD2-CD1 3.9Å |
| 1066 | S | 81.2 | Confident | 72.4 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 12% | 0.119 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.4 | 169.1 | -59.3 | 0 | 0 | 0 | 0 | 108.5 | A1041 S1042 | A1041-S1066 CarbonylContact C-O 3.58Å; A1041-S1066 WeakPolarHBondContact CA-O 3.5Å; S1042-S1066 PolarHBondContact N-O 2.76Å; S1042-S1066 PolarHBondContact O-N 2.88Å |
| 1067 | V | 83.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.9 | -170.2 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | V1039 L1065 L1078 L1103 E1108 E1109 I1111 L1167 | V1039-V1067 HydrophobicContact CG1-CG1 3.27Å; L1065-V1067 HydrophobicContact CB-CG2 4.34Å; V1067-L1078 HydrophobicContact CB-CD1 4.37Å; V1067-L1078 HydrophobicContact CG1-CD1 4.04Å; V1067-L1078 HydrophobicContact CG1-CD2 4.15Å; V1067-L1078 HydrophobicContact CG2-CD1 4.47Å; V1067-L1103 HydrophobicContact CG1-CD1 3.77Å; V1067-E1108 CarbonylContact O-C 3.5Å; V1067-E1108 VanDerWaalsContact O-CA 3.32Å; V1067-E1108 WeakPolarHBondContact O-CA 3.13Å; V1067-E1109 PolarHBondContact N-O 2.88Å; V1067-E1109 PolarHBondContact O-N 2.98Å; V1067-I1111 HydrophobicContact CG2-CD1 4.3Å; V1067-L1167 HydrophobicContact CB-CD2 4.32Å; V1067-L1167 HydrophobicContact CG1-CD2 3.58Å; V1067-L1167 HydrophobicContact CG2-CD2 3.67Å |
| 1068 | L | 84.7 | Confident | 76.8 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.3 | 177.7 | 175.1 | 63.6 | 0 | 0 | 0 | 109.6 | V1039 K1040 W1070 G1106 E1108 | V1039-L1068 WeakPolarHBondContact CA-O 2.97Å; K1040-L1068 PolarHBondContact N-O 2.77Å; K1040-L1068 PolarHBondContact O-N 2.89Å; L1068-W1070 HydrophobicContact CD2-CG 4.44Å; L1068-W1070 VanDerWaalsContact CD2-NE1 3.31Å; L1068-W1070 PolarHBondContact O-N 3.47Å; L1068-W1070 VanDerWaalsContact O-N 3.12Å; L1068-G1106 VanDerWaalsContact CD1-O 3.27Å; L1068-G1106 WeakPolarHBondContact CD1-O 3.41Å; L1068-E1108 HydrophobicContact CD1-CB 4.09Å |
| 1069 | N | 86.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 104.7 | 168 | -178.8 | 6.3 | 0 | 0 | 0 | 109.2 | S1038 S1071 C1074 M1076 L1103 E1104 G1106 Q1107 | S1038-N1069 PolarHBondContact O-OD1 3.43Å; N1069-S1071 WeakPolarHBondContact OD1-CB 3.27Å; N1069-S1071 PolarHBondContact OD1-N 3.43Å; N1069-S1071 PolarHBondContact OD1-OG 3.16Å; N1069-C1074 PolarHBondContact ND2-O 2.87Å; N1069-M1076 WeakPolarHBondContact OD1-CG 3.43Å; N1069-L1103 HydrophobicContact CB-CB 3.72Å; N1069-L1103 HydrophobicContact CB-CD1 4.28Å; N1069-L1103 PolarHBondContact ND2-O 3.41Å; N1069-E1104 WeakPolarHBondContact CB-O 3.42Å; N1069-E1104 VanDerWaalsContact ND2-C 3.32Å; N1069-E1104 PolarHBondContact ND2-O 3.29Å; N1069-G1106 WeakPolarHBondContact O-CA 3.1Å; N1069-G1106 PolarHBondContact O-N 3.19Å; N1069-Q1107 PolarHBondContact N-O 3.23Å |
| 1070 | W | 83.7 | Confident | 80 | Confident | 119 Ų | 119 | 42.6 Ų | 42.6 | 45% | 0.451 | 20% | 0.202 | S | C | . | . | trans | -90.6 | -5.3 | 178.2 | -107.6 | 15 | 0 | 0 | 0 | 113.4 | P1037 S1038 K1040 L1068 Q1072 | P1037-W1070 HydrophobicContact CB-CB 4.12Å; P1037-W1070 HydrophobicContact CB-CE3 4.14Å; S1038-W1070 CarbonylContact O-C 3.59Å; S1038-W1070 VanDerWaalsContact O-CA 3.29Å; S1038-W1070 WeakPolarHBondContact O-CA 3.44Å; S1038-W1070 WeakPolarHBondContact O-CB 3.4Å; S1038-W1070 PolarHBondContact O-N 2.85Å; K1040-W1070 HydrophobicContact CB-CD2 3.92Å; K1040-W1070 HydrophobicContact CB-CE3 4.03Å; K1040-W1070 HydrophobicContact CB-CG 4.16Å; K1040-W1070 HydrophobicContact CD-CD2 3.97Å; K1040-W1070 HydrophobicContact CD-CE3 4.02Å; K1040-W1070 HydrophobicContact CD-CH2 3.68Å; K1040-W1070 HydrophobicContact CD-CZ2 3.57Å; K1040-W1070 HydrophobicContact CD-CZ3 3.88Å; K1040-W1070 HydrophobicContact CG-CE3 4.48Å; L1068-W1070 HydrophobicContact CD2-CG 4.44Å; L1068-W1070 VanDerWaalsContact CD2-NE1 3.31Å; L1068-W1070 PolarHBondContact O-N 3.47Å; L1068-W1070 VanDerWaalsContact O-N 3.12Å; W1070-Q1072 PolarHBondContact O-N 2.87Å | ||
| 1071 | S | 79.7 | Confident | 81 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | trans | -71.8 | 123.7 | 172 | 79.1 | 0 | 0 | 0 | 0 | 109 | S1038 N1069 V1073 C1074 P1105 | S1038-S1071 PolarHBondContact O-N 3.06Å; N1069-S1071 WeakPolarHBondContact OD1-CB 3.27Å; N1069-S1071 PolarHBondContact OD1-N 3.43Å; N1069-S1071 PolarHBondContact OD1-OG 3.16Å; S1071-V1073 PolarHBondContact O-N 2.9Å; S1071-C1074 PolarHBondContact OG-O 2.84Å; S1071-P1105 WeakPolarHBondContact O-CA 3.3Å; S1071-P1105 VanDerWaalsContact O-CB 3.27Å; S1071-P1105 WeakPolarHBondContact O-CB 3.05Å | ||
| 1072 | Q | 76.8 | Confident | 81.6 | Confident | 183 Ų | 183 | 36.4 Ų | 36.4 | 86% | 0.855 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -75 | -7.1 | -176.1 | -68.4 | -172.7 | -15.9 | 0 | 0 | 113.7 | W1070 | W1070-Q1072 PolarHBondContact O-N 2.87Š|
| 1073 | V | 74.9 | Confident | 81.9 | Confident | 128 Ų | 128 | 35.7 Ų | 35.7 | 78% | 0.776 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -138.3 | -9.9 | -163.2 | -158.2 | 0 | 0 | 0 | 0 | 113.2 | S1071 | S1071-V1073 PolarHBondContact O-N 2.9Š|
| 1074 | C | 80.2 | Confident | 82 | Confident | 16 Ų | 16 | 36.7 Ų | 36.7 | 11% | 0.108 | 18% | 0.179 | C | C | . | . | trans | -127.9 | 139.6 | -169.5 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | F919 N1069 S1071 T1171 | F919-C1074 HydrophobicContact CZ-CB 4.38Å; N1069-C1074 PolarHBondContact ND2-O 2.87Å; S1071-C1074 PolarHBondContact OG-O 2.84Å; C1074-T1171 WeakPolarHBondContact CB-OG1 3.32Å | ||
| 1075 | E | 85.1 | Confident | 81.8 | Confident | 99 Ų | 99 | 36.2 Ų | 36.2 | 46% | 0.463 | 18% | 0.177 | S | C | . | . | trans | -74.9 | 131.5 | 168.1 | -169.9 | -166 | 152.1 | 0 | 0 | 109.3 | S1102 L1103 T1171 | E1075-S1102 WeakPolarHBondContact OE1-CB 3.5Å; E1075-S1102 PolarHBondContact OE1-OG 3.48Å; E1075-L1103 WeakPolarHBondContact CA-O 3.5Å; E1075-T1171 WeakPolarHBondContact O-CB 3.38Å; E1075-T1171 PolarHBondContact O-OG1 3.08Å | ||
| 1076 | M | 87 | Confident | 81.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.6 | -178.4 | -73.3 | -75.6 | -174.5 | 0 | 0 | 110.6 | F919 V1039 N1069 L1103 W1169 T1171 | F919-M1076 HydrophobicContact CD1-CE 4.22Å; F919-M1076 HydrophobicContact CG-CE 4.37Å; V1039-M1076 HydrophobicContact CG2-CB 4.23Å; V1039-M1076 HydrophobicContact CG2-CG 3.98Å; V1039-M1076 HydrophobicContact CG2-SD 4.08Å; N1069-M1076 WeakPolarHBondContact OD1-CG 3.43Å; M1076-L1103 HydrophobicContact CB-CB 4.36Å; M1076-L1103 PolarHBondContact N-O 2.57Å; M1076-L1103 PolarHBondContact O-N 3.48Å; M1076-W1169 HydrophobicContact CE-CE3 4.19Å; M1076-W1169 HydrophobicContact CE-CH2 4.31Å; M1076-W1169 HydrophobicContact CE-CZ3 3.92Å; M1076-W1169 HydrophobicContact SD-CD2 4.05Å; M1076-W1169 HydrophobicContact SD-CE3 3.43Å; M1076-W1169 HydrophobicContact SD-CZ3 3.75Å; M1076-T1171 HydrophobicContact CE-CG2 4.07Å; M1076-T1171 HydrophobicContact SD-CG2 4.04Å |
| 1077 | K | 87.7 | Confident | 80.5 | Confident | 106 Ų | 106 | 42.3 Ų | 42.3 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.1 | 176.2 | -64.1 | -172 | 178 | -174.1 | 0 | 110.8 | Y1101 W1169 S1170 | K1077-Y1101 CarbonylContact C-O 3.59Å; K1077-Y1101 WeakPolarHBondContact CA-O 3.35Å; K1077-W1169 CarbonylContact O-C 3.59Å; K1077-W1169 WeakPolarHBondContact O-CA 3.32Å; K1077-S1170 PolarHBondContact N-O 2.74Å; K1077-S1170 PolarHBondContact O-N 3.22Å |
| 1078 | L | 86.6 | Confident | 79.7 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 124.6 | 175.3 | -47.8 | -180 | 0 | 0 | 0 | 110 | V1067 Y1101 L1103 I1111 L1132 L1167 W1169 | V1067-L1078 HydrophobicContact CB-CD1 4.37Å; V1067-L1078 HydrophobicContact CG1-CD1 4.04Å; V1067-L1078 HydrophobicContact CG1-CD2 4.15Å; V1067-L1078 HydrophobicContact CG2-CD1 4.47Å; L1078-Y1101 PolarHBondContact N-O 2.96Å; L1078-L1103 HydrophobicContact CD1-CD1 4Å; L1078-L1103 HydrophobicContact CD2-CD1 4.05Å; L1078-L1103 HydrophobicContact CG-CD1 4.11Å; L1078-I1111 HydrophobicContact CD1-CD1 3.63Å; L1078-L1132 HydrophobicContact CB-CD1 3.73Å; L1078-L1167 HydrophobicContact CD1-CD1 4.5Å; L1078-L1167 HydrophobicContact CD2-CD1 4.38Å; L1078-L1167 HydrophobicContact CD2-CD2 4Å; L1078-L1167 HydrophobicContact CD2-CG 4.3Å; L1078-W1169 HydrophobicContact CD2-CB 4.05Å |
| 1079 | L | 84.1 | Confident | 79 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -47.4 | -171.2 | -58.2 | 179.1 | 0 | 0 | 0 | 112.1 | L1132 E1136 L1148 F1168 F1184 | L1079-L1132 PolarHBondContact O-N 2.91Å; L1079-E1136 HydrophobicContact CB-CG 4.43Å; L1079-E1136 HydrophobicContact CD2-CG 4.05Å; L1079-L1148 HydrophobicContact CB-CD1 4.36Å; L1079-L1148 HydrophobicContact CB-CD2 3.94Å; L1079-L1148 HydrophobicContact CD1-CD2 4.32Å; L1079-F1168 HydrophobicContact CB-CB 4.27Å; L1079-F1168 PolarHBondContact N-O 3.29Å; L1079-F1184 HydrophobicContact CD1-CD1 3.97Å; L1079-F1184 HydrophobicContact CD1-CE1 4.13Å |
| 1080 | A | 83.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 160.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1129 L1130 L1148 F1168 | A1080-C1129 VanDerWaalsContact CB-SG 3.58Å; A1080-L1130 CarbonylContact C-O 3.52Å; A1080-L1130 VanDerWaalsContact CA-O 3.23Å; A1080-L1130 WeakPolarHBondContact CA-O 3.29Å; A1080-L1130 WeakPolarHBondContact CB-O 3.43Å; A1080-L1148 HydrophobicContact CB-CD1 4.48Å; A1080-L1148 HydrophobicContact CB-CD2 3.93Å; A1080-F1168 HydrophobicContact CB-CB 4.43Å; A1080-F1168 HydrophobicContact CB-CD2 4.01Å; A1080-F1168 PolarHBondContact O-N 2.87Å |
| 1081 | V | 83 | Confident | 77.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 116.7 | 166.8 | -175 | 0 | 0 | 0 | 0 | 109 | L1065 L1091 I1111 L1130 L1132 I1165 S1166 L1167 | L1065-V1081 HydrophobicContact CD1-CG1 3.7Å; L1065-V1081 HydrophobicContact CD1-CG2 4.01Å; V1081-L1091 HydrophobicContact CB-CD1 4.38Å; V1081-L1091 HydrophobicContact CG1-CD1 3.87Å; V1081-L1091 VanDerWaalsContact O-CD1 3.28Å; V1081-L1091 WeakPolarHBondContact O-CD1 3.31Å; V1081-I1111 HydrophobicContact CG2-CG2 4.29Å; V1081-L1130 PolarHBondContact N-O 3.36Å; V1081-L1130 PolarHBondContact O-N 2.97Å; V1081-L1132 HydrophobicContact CG2-CD1 4.03Å; V1081-L1132 HydrophobicContact CG2-CD2 4.11Å; V1081-L1132 HydrophobicContact CG2-CG 4.28Å; V1081-I1165 HydrophobicContact CG1-CG2 3.8Å; V1081-S1166 CarbonylContact C-O 3.56Å; V1081-L1167 HydrophobicContact CG2-CD1 4.05Å |
| 1082 | G | 80.9 | Confident | 77 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 151.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1128 I1165 S1166 | G1082-S1128 CarbonylContact C-O 3.58Å; G1082-S1128 VanDerWaalsContact CA-O 3.29Å; G1082-S1128 WeakPolarHBondContact CA-O 3.28Å; G1082-I1165 CarbonylContact O-C 3.48Å; G1082-I1165 VanDerWaalsContact O-CA 3.31Å; G1082-I1165 WeakPolarHBondContact O-CA 3.49Å; G1082-S1166 PolarHBondContact N-O 3.02Å; G1082-S1166 PolarHBondContact O-N 2.84Å |
| 1083 | M | 78.4 | Confident | 76.1 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.3 | 163.7 | -174.4 | 175.8 | 58.7 | 0 | 0 | 108.8 | C1089 L1091 S1115 F1127 S1128 V1164 I1165 | M1083-C1089 HydrophobicContact CE-CB 3.48Å; M1083-C1089 VanDerWaalsContact CE-CB 3.48Å; M1083-C1089 WeakPolarHBondContact CE-O 3.42Å; M1083-C1089 HydrophobicContact SD-CB 4.01Å; M1083-L1091 HydrophobicContact CB-CD1 3.69Å; M1083-L1091 HydrophobicContact CB-CD2 4.33Å; M1083-L1091 HydrophobicContact CB-CG 3.63Å; M1083-L1091 HydrophobicContact CE-CD2 4.45Å; M1083-L1091 HydrophobicContact CE-CG 4.15Å; M1083-S1115 WeakPolarHBondContact CE-OG 3.26Å; M1083-F1127 WeakPolarHBondContact O-CA 3.47Å; M1083-S1128 PolarHBondContact N-O 2.88Å; M1083-S1128 PolarHBondContact O-N 2.89Å; M1083-S1128 PolarHBondContact O-OG 3.08Å; M1083-V1164 CarbonylContact C-O 3.55Å; M1083-V1164 WeakPolarHBondContact CA-O 3.27Å; M1083-I1165 HydrophobicContact CB-CG1 4.4Å; M1083-I1165 HydrophobicContact CG-CG1 4.12Å; M1083-I1165 HydrophobicContact SD-CG1 4.43Å |
| 1084 | Q | 77.6 | Confident | 75 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 13% | 0.131 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 138.2 | 169.5 | -163.9 | -176.1 | 14.5 | 0 | 0 | 107.6 | S1126 F1127 N1157 P1163 V1164 | Q1084-S1126 CarbonylContact C-O 3.59Å; Q1084-S1126 WeakPolarHBondContact CA-O 3.47Å; Q1084-F1127 HydrophobicContact CB-CD2 4.19Å; Q1084-N1157 WeakPolarHBondContact CB-ND2 3.35Å; Q1084-N1157 HydrophobicContact CG-CB 4.24Å; Q1084-N1157 VanDerWaalsContact CG-ND2 3.31Å; Q1084-N1157 WeakPolarHBondContact CG-ND2 3.34Å; Q1084-N1157 PolarHBondContact O-ND2 3.16Å; Q1084-P1163 WeakPolarHBondContact O-CA 3.36Å; Q1084-V1164 PolarHBondContact N-O 2.81Å; Q1084-V1164 PolarHBondContact O-N 2.77Å |
| 1085 | S | 72.9 | Confident | 73.6 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 133.8 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | Q1087 G1088 C1089 G1125 S1126 N1157 | S1085-Q1087 PolarHBondContact OG-N 2.81Å; S1085-G1088 PolarHBondContact OG-N 2.93Å; S1085-C1089 PolarHBondContact OG-N 3.43Å; S1085-G1125 CarbonylContact O-C 3.58Å; S1085-G1125 WeakPolarHBondContact O-CA 3.47Å; S1085-S1126 PolarHBondContact N-O 2.75Å; S1085-S1126 PolarHBondContact O-N 2.96Å; S1085-S1126 PolarHBondContact O-OG 2.93Å; S1085-S1126 VanDerWaalsContact O-OG 3.1Å; S1085-N1157 PolarHBondContact N-ND2 2.99Å |
| 1086 | T | 67.5 | Low | 71.8 | Confident | 66 Ų | 66 | 44.8 Ų | 44.8 | 41% | 0.405 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -81.9 | -7 | 167.2 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | S1161 | T1086-S1161 PolarHBondContact OG1-O 2.53Š|
| 1087 | Q | 66.4 | Low | 70.2 | Confident | 81 Ų | 81 | 52.6 Ų | 52.6 | 38% | 0.379 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -106.1 | 9.5 | -176.2 | -56.5 | -171.4 | 7.2 | 0 | 0 | 113.8 | S1085 | S1085-Q1087 PolarHBondContact OG-N 2.81Š|
| 1088 | G | 66.8 | Low | 69 | Low | 7 Ų | 7 | 50 Ų | 50 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | trans | 80.8 | 16 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1085 V1118 | S1085-G1088 PolarHBondContact OG-N 2.93Å; G1088-V1118 PolarHBondContact O-N 2.91Å | ||
| 1089 | C | 69.5 | Low | 68.2 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 137.5 | 173.7 | -51.5 | 0 | 0 | 0 | 0 | 110.3 | M1083 S1085 S1126 | M1083-C1089 HydrophobicContact CE-CB 3.48Å; M1083-C1089 VanDerWaalsContact CE-CB 3.48Å; M1083-C1089 WeakPolarHBondContact CE-O 3.42Å; M1083-C1089 HydrophobicContact SD-CB 4.01Å; S1085-C1089 PolarHBondContact OG-N 3.43Å; C1089-S1126 PolarHBondContact O-OG 2.9Å |
| 1090 | R | 70.3 | Confident | 67.8 | Low | 134 Ų | 134 | 59.2 Ų | 59.2 | 51% | 0.506 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 146.1 | 172.3 | -66.6 | -169.4 | -179.1 | -175.9 | -1.4 | 111.8 | A1116 V1118 S1128 | R1090-A1116 PolarHBondContact N-O 2.88Å; R1090-A1116 PolarHBondContact O-N 2.85Å; R1090-V1118 HydrophobicContact CB-CG2 4.2Å; R1090-V1118 HydrophobicContact CG-CG2 4.12Å; R1090-S1128 WeakPolarHBondContact CA-OG 3.49Å |
| 1091 | L | 72.2 | Confident | 67.5 | Low | 19 Ų | 19 | 60.8 Ų | 60.8 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 136.7 | 171.8 | -71.4 | 169.1 | 0 | 0 | 0 | 110.1 | I1063 V1081 M1083 C1113 V1114 S1128 | I1063-L1091 HydrophobicContact CD1-CD2 3.91Å; V1081-L1091 HydrophobicContact CB-CD1 4.38Å; V1081-L1091 HydrophobicContact CG1-CD1 3.87Å; V1081-L1091 VanDerWaalsContact O-CD1 3.28Å; V1081-L1091 WeakPolarHBondContact O-CD1 3.31Å; M1083-L1091 HydrophobicContact CB-CD1 3.69Å; M1083-L1091 HydrophobicContact CB-CD2 4.33Å; M1083-L1091 HydrophobicContact CB-CG 3.63Å; M1083-L1091 HydrophobicContact CE-CD2 4.45Å; M1083-L1091 HydrophobicContact CE-CG 4.15Å; L1091-C1113 HydrophobicContact CD2-CB 4.25Å; L1091-V1114 CarbonylContact C-O 3.56Å; L1091-V1114 WeakPolarHBondContact CA-O 3.31Å; L1091-S1128 PolarHBondContact N-OG 3.24Å |
| 1092 | Q | 65 | Low | 67.6 | Low | 77 Ų | 77 | 63 Ų | 63 | 36% | 0.36 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135.6 | 171.1 | -71 | -175.4 | -16.3 | 0 | 0 | 108.3 | V1114 A1116 | Q1092-V1114 PolarHBondContact N-O 3.44Å; Q1092-V1114 PolarHBondContact O-N 3.11Å; Q1092-V1114 VanDerWaalsContact O-N 3.16Å; Q1092-V1114 VanDerWaalsContact O-O 3.1Å; Q1092-A1116 HydrophobicContact CG-CB 4.24Å |
| 1093 | S | 59.2 | Low | 67.7 | Low | 69 Ų | 69 | 63 Ų | 63 | 48% | 0.483 | 34% | 0.335 | S | S | . | . | trans | -69.7 | 131.5 | 172.6 | -168.6 | 0 | 0 | 0 | 0 | 109.8 | L1095 | S1093-L1095 PolarHBondContact OG-O 2.82Š| ||
| 1094 | L | 51.2 | Low | 68 | Low | 85 Ų | 85 | 68.7 Ų | 68.7 | 45% | 0.445 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -105.1 | -12.2 | 174.1 | -141 | 81.1 | 0 | 0 | 0 | 113.1 | V1114 | L1094-V1114 HydrophobicContact CB-CB 4.41Å; L1094-V1114 HydrophobicContact CB-CG2 3.8Å; L1094-V1114 HydrophobicContact CD1-CB 3.76Å; L1094-V1114 HydrophobicContact CD1-CG1 4.14Å; L1094-V1114 HydrophobicContact CD1-CG2 3.36Å; L1094-V1114 HydrophobicContact CD2-CG2 3.67Å; L1094-V1114 HydrophobicContact CG-CG2 3.76Å |
| 1095 | L | 50.6 | Low | 68.1 | Low | 125 Ų | 125 | 70.4 Ų | 70.4 | 65% | 0.654 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -140.4 | 114.8 | -176.5 | -68.1 | 167.4 | 0 | 0 | 0 | 108.1 | S1093 E1097 | S1093-L1095 PolarHBondContact OG-O 2.82Å; L1095-E1097 VanDerWaalsContact C-N 3.26Å; L1095-E1097 PolarHBondContact O-N 2.78Å |
| 1096 | S | 47.9 | Very low | 68.5 | Low | 122 Ų | 122 | 73 Ų | 73 | 85% | 0.853 | 40% | 0.401 | S | S | * | . | trans | -81.2 | 45.8 | -169.1 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1097 | E | 53.3 | Low | 69.2 | Low | 165 Ų | 165 | 72.8 Ų | 72.8 | 77% | 0.771 | 40% | 0.396 | S | S | * | . | trans | -132.4 | 100.6 | 170.5 | -73 | -172.5 | 172.3 | 0 | 0 | 110.6 | L1095 R1099 | L1095-E1097 VanDerWaalsContact C-N 3.26Å; L1095-E1097 PolarHBondContact O-N 2.78Å; E1097-R1099 PolarHBondContact O-N 2.92Å | ||
| 1098 | A | 62.3 | Low | 69.9 | Low | 52 Ų | 52 | 74.4 Ų | 74.4 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | trans | -67.4 | 120 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | L1132 P1134 | A1098-L1132 CarbonylContact C-O 3.56Å; A1098-L1132 VanDerWaalsContact CA-O 3.32Å; A1098-L1132 WeakPolarHBondContact CA-O 3.31Å; A1098-P1134 HydrophobicContact CB-CG 4.27Å | ||
| 1099 | R | 70.4 | Confident | 70.5 | Confident | 94 Ų | 94 | 75.7 Ų | 75.7 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | trans | -130.1 | 148.7 | 178.8 | 72 | -178.5 | -167.6 | -172.3 | 5.5 | 109.4 | E1097 Y1101 E1109 L1132 | E1097-R1099 PolarHBondContact O-N 2.92Å; R1099-Y1101 HydrophobicContact CG-CD2 3.99Å; R1099-Y1101 HydrophobicContact CG-CE1 4.24Å; R1099-Y1101 HydrophobicContact CG-CE2 3.46Å; R1099-Y1101 VanDerWaalsContact CG-CE2 3.46Å; R1099-Y1101 VanDerWaalsContact NE-CZ 3.27Å; R1099-Y1101 PolarHBondContact NE-OH 2.78Å; R1099-Y1101 WeakPolarHBondContact O-CD2 3.38Å; R1099-Y1101 WeakPolarHBondContact O-CE2 3.24Å; R1099-Y1101 PolarHBondContact O-N 2.81Å; R1099-E1109 IonicContact NH2-OE2 3.89Å; R1099-E1109 PolarHBondContact NH2-OE2 3.06Å; R1099-E1109 VanDerWaalsContact NH2-OE2 3.14Å; R1099-L1132 CarbonylContact C-O 3.55Å; R1099-L1132 PolarHBondContact N-O 2.94Å | ||
| 1100 | D | 73.9 | Confident | 70.9 | Confident | 116 Ų | 116 | 77.4 Ų | 77.4 | 62% | 0.62 | 42% | 0.418 | S | S | * | . | trans | -69.7 | 121.5 | 175.4 | -73.4 | -25.3 | 0 | 0 | 0 | 110.1 | S1133 | D1100-S1133 WeakPolarHBondContact OD1-CB 3.41Š| ||
| 1101 | Y | 79.3 | Confident | 71.2 | Confident | 33 Ų | 33 | 71.2 Ų | 71.2 | 13% | 0.129 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 90.5 | 175.3 | -68.6 | -95 | 0 | 0 | 0 | 109.3 | K1077 L1078 R1099 E1109 I1111 L1132 | K1077-Y1101 CarbonylContact C-O 3.59Å; K1077-Y1101 WeakPolarHBondContact CA-O 3.35Å; L1078-Y1101 PolarHBondContact N-O 2.96Å; R1099-Y1101 HydrophobicContact CG-CD2 3.99Å; R1099-Y1101 HydrophobicContact CG-CE1 4.24Å; R1099-Y1101 HydrophobicContact CG-CE2 3.46Å; R1099-Y1101 VanDerWaalsContact CG-CE2 3.46Å; R1099-Y1101 VanDerWaalsContact NE-CZ 3.27Å; R1099-Y1101 PolarHBondContact NE-OH 2.78Å; R1099-Y1101 WeakPolarHBondContact O-CD2 3.38Å; R1099-Y1101 WeakPolarHBondContact O-CE2 3.24Å; R1099-Y1101 PolarHBondContact O-N 2.81Å; Y1101-E1109 HydrophobicContact CD1-CG 4.49Å; Y1101-I1111 HydrophobicContact CE1-CG1 4.09Å; Y1101-L1132 HydrophobicContact CD2-CB 3.89Å; Y1101-L1132 HydrophobicContact CD2-CD1 4.39Å; Y1101-L1132 HydrophobicContact CE2-CB 4.1Å; Y1101-L1132 HydrophobicContact CE2-CD2 4.09Å |
| 1102 | S | 83.9 | Confident | 71.3 | Confident | 45 Ų | 45 | 72.1 Ų | 72.1 | 32% | 0.315 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 120.6 | 168.1 | -90.3 | 0 | 0 | 0 | 0 | 109.5 | E1075 | E1075-S1102 WeakPolarHBondContact OE1-CB 3.5Å; E1075-S1102 PolarHBondContact OE1-OG 3.48Å |
| 1103 | L | 83.6 | Confident | 71.8 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.3 | 177.6 | -65 | 173 | 0 | 0 | 0 | 110.6 | V1067 N1069 E1075 M1076 L1078 Q1107 E1109 | V1067-L1103 HydrophobicContact CG1-CD1 3.77Å; N1069-L1103 HydrophobicContact CB-CB 3.72Å; N1069-L1103 HydrophobicContact CB-CD1 4.28Å; N1069-L1103 PolarHBondContact ND2-O 3.41Å; E1075-L1103 WeakPolarHBondContact CA-O 3.5Å; M1076-L1103 HydrophobicContact CB-CB 4.36Å; M1076-L1103 PolarHBondContact N-O 2.57Å; M1076-L1103 PolarHBondContact O-N 3.48Å; L1078-L1103 HydrophobicContact CD1-CD1 4Å; L1078-L1103 HydrophobicContact CD2-CD1 4.05Å; L1078-L1103 HydrophobicContact CG-CD1 4.11Å; L1103-Q1107 HydrophobicContact CD2-CB 4.27Å; L1103-Q1107 HydrophobicContact CD2-CG 4.04Å; L1103-E1109 HydrophobicContact CD2-CB 3.73Å; L1103-E1109 HydrophobicContact CD2-CG 3.31Å |
| 1104 | E | 84.5 | Confident | 72.4 | Confident | 124 Ų | 124 | 65.2 Ų | 65.2 | 58% | 0.579 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 158.6 | 166.9 | -66.4 | -170.2 | 170.2 | 0 | 0 | 111.4 | N1069 G1106 Q1107 | N1069-E1104 WeakPolarHBondContact CB-O 3.42Å; N1069-E1104 VanDerWaalsContact ND2-C 3.32Å; N1069-E1104 PolarHBondContact ND2-O 3.29Å; E1104-G1106 PolarHBondContact O-N 2.8Å; E1104-Q1107 HydrophobicContact CB-CB 4.42Å; E1104-Q1107 WeakPolarHBondContact O-CB 3.45Å; E1104-Q1107 PolarHBondContact O-N 3.38Å |
| 1105 | P | 80.5 | Confident | 73.4 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 42% | 0.416 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 121.9 | 174 | -31.6 | 38.7 | 0 | 0 | 0 | 112.7 | S1071 Q1107 | S1071-P1105 WeakPolarHBondContact O-CA 3.3Å; S1071-P1105 VanDerWaalsContact O-CB 3.27Å; S1071-P1105 WeakPolarHBondContact O-CB 3.05Å; P1105-Q1107 VanDerWaalsContact C-N 3.34Å |
| 1106 | G | 80.2 | Confident | 74.1 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 56% | 0.557 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -2.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1068 N1069 E1104 | L1068-G1106 VanDerWaalsContact CD1-O 3.27Å; L1068-G1106 WeakPolarHBondContact CD1-O 3.41Å; N1069-G1106 WeakPolarHBondContact O-CA 3.1Å; N1069-G1106 PolarHBondContact O-N 3.19Å; E1104-G1106 PolarHBondContact O-N 2.8Å |
| 1107 | Q | 81.5 | Confident | 74.9 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | trans | -77.9 | 132.7 | 178 | -170.9 | -178.5 | -11.1 | 0 | 0 | 111.6 | N1069 L1103 E1104 P1105 | N1069-Q1107 PolarHBondContact N-O 3.23Å; L1103-Q1107 HydrophobicContact CD2-CB 4.27Å; L1103-Q1107 HydrophobicContact CD2-CG 4.04Å; E1104-Q1107 HydrophobicContact CB-CB 4.42Å; E1104-Q1107 WeakPolarHBondContact O-CB 3.45Å; E1104-Q1107 PolarHBondContact O-N 3.38Å; P1105-Q1107 VanDerWaalsContact C-N 3.34Å | ||
| 1108 | E | 81.5 | Confident | 75.2 | Confident | 114 Ų | 114 | 49.6 Ų | 49.6 | 53% | 0.533 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.9 | 174.5 | -169.6 | 171.7 | -175.8 | 0 | 0 | 111 | V1067 L1068 | V1067-E1108 CarbonylContact O-C 3.5Å; V1067-E1108 VanDerWaalsContact O-CA 3.32Å; V1067-E1108 WeakPolarHBondContact O-CA 3.13Å; L1068-E1108 HydrophobicContact CD1-CB 4.09Å |
| 1109 | E | 80.1 | Confident | 74.7 | Confident | 34 Ų | 34 | 53 Ų | 53 | 16% | 0.159 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 149.1 | 173 | -81.5 | -71.9 | 160 | 0 | 0 | 111.2 | V1067 R1099 Y1101 L1103 | V1067-E1109 PolarHBondContact N-O 2.88Å; V1067-E1109 PolarHBondContact O-N 2.98Å; R1099-E1109 IonicContact NH2-OE2 3.89Å; R1099-E1109 PolarHBondContact NH2-OE2 3.06Å; R1099-E1109 VanDerWaalsContact NH2-OE2 3.14Å; Y1101-E1109 HydrophobicContact CD1-CG 4.49Å; L1103-E1109 HydrophobicContact CD2-CB 3.73Å; L1103-E1109 HydrophobicContact CD2-CG 3.31Å |
| 1110 | T | 77.8 | Confident | 73.9 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.1 | 176.2 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | V1064 L1065 V1303 | V1064-T1110 HydrophobicContact CG1-CG2 3.4Å; L1065-T1110 CarbonylContact O-C 3.57Å; L1065-T1110 WeakPolarHBondContact O-CA 3.42Å; T1110-V1303 HydrophobicContact CG2-CG2 4.31Å |
| 1111 | I | 77 | Confident | 72.6 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.5 | 178.1 | -56.5 | 172.3 | 0 | 0 | 0 | 108.8 | L1065 V1067 L1078 V1081 Y1101 L1132 L1167 | L1065-I1111 HydrophobicContact CB-CB 4.27Å; L1065-I1111 PolarHBondContact N-O 2.84Å; L1065-I1111 PolarHBondContact O-N 2.71Å; V1067-I1111 HydrophobicContact CG2-CD1 4.3Å; L1078-I1111 HydrophobicContact CD1-CD1 3.63Å; V1081-I1111 HydrophobicContact CG2-CG2 4.29Å; Y1101-I1111 HydrophobicContact CE1-CG1 4.09Å; I1111-L1132 HydrophobicContact CD1-CD1 3.77Å; I1111-L1132 HydrophobicContact CD1-CD2 4.44Å; I1111-L1132 HydrophobicContact CG2-CD2 4.04Å; I1111-L1167 HydrophobicContact CD1-CD1 4.32Å |
| 1112 | C | 74.2 | Confident | 71.2 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.6 | 175.6 | -66 | 0 | 0 | 0 | 0 | 110.4 | L1062 I1063 | L1062-C1112 HydrophobicContact CD1-CB 4.22Å; I1063-C1112 CarbonylContact O-C 3.58Å; I1063-C1112 WeakPolarHBondContact O-CA 3.48Å |
| 1113 | C | 75.5 | Confident | 69.5 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 161.4 | 173.5 | 56 | 0 | 0 | 0 | 0 | 110.5 | I1063 L1091 L1130 | I1063-C1113 PolarHBondContact N-O 2.91Å; I1063-C1113 PolarHBondContact O-N 3.44Å; L1091-C1113 HydrophobicContact CD2-CB 4.25Å; C1113-L1130 HydrophobicContact CB-CD2 4.47Å |
| 1114 | V | 71.6 | Confident | 67.9 | Low | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.4 | 177.7 | 168.7 | 0 | 0 | 0 | 0 | 110.3 | L1048 R1060 L1061 L1062 L1091 Q1092 L1094 | L1048-V1114 HydrophobicContact CD1-CG1 4.24Å; L1048-V1114 HydrophobicContact CD1-CG2 3.86Å; R1060-V1114 HydrophobicContact CB-CG1 3.89Å; R1060-V1114 HydrophobicContact CG-CG1 4.08Å; L1061-V1114 WeakPolarHBondContact O-CA 3.42Å; L1062-V1114 HydrophobicContact CD1-CG2 4.15Å; L1091-V1114 CarbonylContact C-O 3.56Å; L1091-V1114 WeakPolarHBondContact CA-O 3.31Å; Q1092-V1114 PolarHBondContact N-O 3.44Å; Q1092-V1114 PolarHBondContact O-N 3.11Å; Q1092-V1114 VanDerWaalsContact O-N 3.16Å; Q1092-V1114 VanDerWaalsContact O-O 3.1Å; L1094-V1114 HydrophobicContact CB-CB 4.41Å; L1094-V1114 HydrophobicContact CB-CG2 3.8Å; L1094-V1114 HydrophobicContact CD1-CB 3.76Å; L1094-V1114 HydrophobicContact CD1-CG1 4.14Å; L1094-V1114 HydrophobicContact CD1-CG2 3.36Å; L1094-V1114 HydrophobicContact CD2-CG2 3.67Å; L1094-V1114 HydrophobicContact CG-CG2 3.76Å |
| 1115 | S | 71.5 | Confident | 66.7 | Low | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 131.1 | 169.8 | 173.4 | 0 | 0 | 0 | 0 | 109.5 | R1060 L1061 M1083 | R1060-S1115 CarbonylContact C-O 3.58Å; R1060-S1115 VanDerWaalsContact CA-O 3.31Å; R1060-S1115 WeakPolarHBondContact CA-O 3.29Å; L1061-S1115 PolarHBondContact N-O 3Å; L1061-S1115 PolarHBondContact O-N 2.77Å; M1083-S1115 WeakPolarHBondContact CE-OG 3.26Å |
| 1116 | A | 66.8 | Low | 65.9 | Low | 10 Ų | 10 | 64.9 Ų | 64.9 | 8% | 0.083 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | R1060 R1090 Q1092 | R1060-A1116 HydrophobicContact CG-CB 4.41Å; R1090-A1116 PolarHBondContact N-O 2.88Å; R1090-A1116 PolarHBondContact O-N 2.85Å; Q1092-A1116 HydrophobicContact CG-CB 4.24Å |
| 1117 | K | 63.8 | Low | 65.5 | Low | 100 Ų | 100 | 64.9 Ų | 64.9 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 120.1 | 174.6 | -166 | 170.2 | -175.2 | 170.6 | 0 | 109.9 | ||
| 1118 | V | 59.5 | Low | 65.1 | Low | 56 Ų | 56 | 62.6 Ų | 62.6 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | trans | -99.1 | 132.4 | 176.5 | -174 | 0 | 0 | 0 | 0 | 108.5 | G1088 R1090 V1120 | G1088-V1118 PolarHBondContact O-N 2.91Å; R1090-V1118 HydrophobicContact CB-CG2 4.2Å; R1090-V1118 HydrophobicContact CG-CG2 4.12Å; V1118-V1120 PolarHBondContact O-N 2.91Å | ||
| 1119 | S | 52.8 | Low | 64.9 | Low | 124 Ų | 124 | 59.5 Ų | 59.5 | 87% | 0.867 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -73.4 | 29.6 | -168.3 | 58.1 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1120 | V | 51.8 | Low | 64.8 | Low | 96 Ų | 96 | 59.5 Ų | 59.5 | 58% | 0.582 | 33% | 0.332 | S | S | * | . | trans | -118.3 | 115.7 | -177.3 | -172.1 | 0 | 0 | 0 | 0 | 111 | V1118 S1122 | V1118-V1120 PolarHBondContact O-N 2.91Å; V1120-S1122 PolarHBondContact O-N 3.12Å | ||
| 1121 | R | 48 | Very low | 64.7 | Low | 250 Ų | 250 | 59.6 Ų | 59.6 | 94% | 0.943 | 33% | 0.333 | S | S | * | . | trans | -70.8 | 112.2 | 163.9 | -82.2 | -177.9 | 173.5 | 175.8 | -2 | 108.2 | ||||
| 1122 | S | 48.7 | Very low | 64.8 | Low | 59 Ų | 59 | 59.9 Ų | 59.9 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | trans | -110 | 133.2 | 164 | 62 | 0 | 0 | 0 | 0 | 109.7 | V1120 V1124 | V1120-S1122 PolarHBondContact O-N 3.12Å; S1122-V1124 PolarHBondContact O-N 2.88Å; S1122-V1124 VanDerWaalsContact O-N 3.09Å; S1122-V1124 PolarHBondContact OG-O 2.87Å | ||
| 1123 | D | 48.1 | Very low | 64.8 | Low | 180 Ų | 180 | 58.4 Ų | 58.4 | 96% | 0.963 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -65.2 | -8.2 | 177.1 | -73.4 | -27.3 | 0 | 0 | 0 | 113.3 | ||
| 1124 | V | 51.3 | Low | 64.5 | Low | 104 Ų | 104 | 61.6 Ų | 61.6 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -117.2 | 117.6 | 173 | -171.4 | 0 | 0 | 0 | 0 | 106.6 | S1122 S1126 | S1122-V1124 PolarHBondContact O-N 2.88Å; S1122-V1124 VanDerWaalsContact O-N 3.09Å; S1122-V1124 PolarHBondContact OG-O 2.87Å; V1124-S1126 PolarHBondContact O-N 3.46Å |
| 1125 | G | 58 | Low | 64.5 | Low | 25 Ų | 25 | 65.1 Ų | 65.1 | 26% | 0.258 | 37% | 0.367 | S | S | . | . | trans | -48.1 | 137.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1085 F1127 | S1085-G1125 CarbonylContact O-C 3.58Å; S1085-G1125 WeakPolarHBondContact O-CA 3.47Å; G1125-F1127 PolarHBondContact O-N 2.74Å | ||
| 1126 | S | 63.9 | Low | 64.4 | Low | 12 Ų | 12 | 66 Ų | 66 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 126.3 | 178.3 | 59.6 | 0 | 0 | 0 | 0 | 110 | Q1084 S1085 C1089 V1124 | Q1084-S1126 CarbonylContact C-O 3.59Å; Q1084-S1126 WeakPolarHBondContact CA-O 3.47Å; S1085-S1126 PolarHBondContact N-O 2.75Å; S1085-S1126 PolarHBondContact O-N 2.96Å; S1085-S1126 PolarHBondContact O-OG 2.93Å; S1085-S1126 VanDerWaalsContact O-OG 3.1Å; C1089-S1126 PolarHBondContact O-OG 2.9Å; V1124-S1126 PolarHBondContact O-N 3.46Å |
| 1127 | F | 71.9 | Confident | 64.2 | Low | 54 Ų | 54 | 67 Ų | 67 | 24% | 0.237 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.4 | 169.8 | -179.9 | -106.7 | 0 | 0 | 0 | 109.3 | M1083 Q1084 G1125 C1129 F1168 | M1083-F1127 WeakPolarHBondContact O-CA 3.47Å; Q1084-F1127 HydrophobicContact CB-CD2 4.19Å; G1125-F1127 PolarHBondContact O-N 2.74Å; F1127-C1129 HydrophobicContact CE1-CB 3.69Å; F1127-C1129 HydrophobicContact CZ-CB 4.01Å; F1127-F1168 HydrophobicContact CE2-CZ 4.38Å; F1127-F1168 HydrophobicContact CZ-CE2 4.01Å; F1127-F1168 AromaticContact CZ-CZ 3.98Å; F1127-F1168 HydrophobicContact CZ-CZ 3.98Å |
| 1128 | S | 73.8 | Confident | 64.1 | Low | 15 Ų | 15 | 68.8 Ų | 68.8 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.6 | 171.8 | 56.8 | 0 | 0 | 0 | 0 | 108.8 | G1082 M1083 R1090 L1091 | G1082-S1128 CarbonylContact C-O 3.58Å; G1082-S1128 VanDerWaalsContact CA-O 3.29Å; G1082-S1128 WeakPolarHBondContact CA-O 3.28Å; M1083-S1128 PolarHBondContact N-O 2.88Å; M1083-S1128 PolarHBondContact O-N 2.89Å; M1083-S1128 PolarHBondContact O-OG 3.08Å; R1090-S1128 WeakPolarHBondContact CA-OG 3.49Å; L1091-S1128 PolarHBondContact N-OG 3.24Å |
| 1129 | C | 77 | Confident | 64.3 | Low | 49 Ų | 49 | 70.8 Ų | 70.8 | 33% | 0.331 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.8 | 179.8 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | A1080 F1127 | A1080-C1129 VanDerWaalsContact CB-SG 3.58Å; F1127-C1129 HydrophobicContact CE1-CB 3.69Å; F1127-C1129 HydrophobicContact CZ-CB 4.01Å |
| 1130 | L | 78.1 | Confident | 64.5 | Low | 34 Ų | 34 | 65.6 Ų | 65.6 | 18% | 0.178 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 105 | 176.1 | -173.2 | 84.1 | 0 | 0 | 0 | 108.2 | A1080 V1081 C1113 | A1080-L1130 CarbonylContact C-O 3.52Å; A1080-L1130 VanDerWaalsContact CA-O 3.23Å; A1080-L1130 WeakPolarHBondContact CA-O 3.29Å; A1080-L1130 WeakPolarHBondContact CB-O 3.43Å; V1081-L1130 PolarHBondContact N-O 3.36Å; V1081-L1130 PolarHBondContact O-N 2.97Å; C1113-L1130 HydrophobicContact CB-CD2 4.47Å |
| 1131 | P | 76.5 | Confident | 64.5 | Low | 39 Ų | 39 | 68.6 Ų | 68.6 | 25% | 0.253 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 138.6 | 174.7 | 27 | -31.8 | 0 | 0 | 0 | 110.1 | E1136 A1137 | P1131-E1136 HydrophobicContact CB-CB 4.39Å; P1131-A1137 HydrophobicContact CB-CB 4.09Å; P1131-A1137 HydrophobicContact CG-CB 3.8Å |
| 1132 | L | 78.1 | Confident | 64.6 | Low | 9 Ų | 9 | 63.5 Ų | 63.5 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -93.9 | -29 | -178.2 | -68.6 | 173.3 | 0 | 0 | 0 | 112.4 | L1078 L1079 V1081 A1098 R1099 Y1101 I1111 L1167 | L1078-L1132 HydrophobicContact CB-CD1 3.73Å; L1079-L1132 PolarHBondContact O-N 2.91Å; V1081-L1132 HydrophobicContact CG2-CD1 4.03Å; V1081-L1132 HydrophobicContact CG2-CD2 4.11Å; V1081-L1132 HydrophobicContact CG2-CG 4.28Å; A1098-L1132 CarbonylContact C-O 3.56Å; A1098-L1132 VanDerWaalsContact CA-O 3.32Å; A1098-L1132 WeakPolarHBondContact CA-O 3.31Å; R1099-L1132 CarbonylContact C-O 3.55Å; R1099-L1132 PolarHBondContact N-O 2.94Å; Y1101-L1132 HydrophobicContact CD2-CB 3.89Å; Y1101-L1132 HydrophobicContact CD2-CD1 4.39Å; Y1101-L1132 HydrophobicContact CE2-CB 4.1Å; Y1101-L1132 HydrophobicContact CE2-CD2 4.09Å; I1111-L1132 HydrophobicContact CD1-CD1 3.77Å; I1111-L1132 HydrophobicContact CD1-CD2 4.44Å; I1111-L1132 HydrophobicContact CG2-CD2 4.04Å; L1132-L1167 HydrophobicContact CD1-CD1 4.38Å |
| 1133 | S | 74.7 | Confident | 64.5 | Low | 7 Ų | 7 | 65.5 Ų | 65.5 | 5% | 0.049 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -104.3 | 153.6 | 176.7 | 69.9 | 0 | 0 | 0 | 0 | 113.5 | D1100 V1135 E1136 A1137 | D1100-S1133 WeakPolarHBondContact OD1-CB 3.41Å; S1133-V1135 VanDerWaalsContact C-N 3.29Å; S1133-V1135 PolarHBondContact O-N 2.89Å; S1133-E1136 PolarHBondContact O-N 2.96Å; S1133-E1136 VanDerWaalsContact OG-CB 3.27Å; S1133-E1136 WeakPolarHBondContact OG-CB 3.19Å; S1133-E1136 VanDerWaalsContact OG-CG 3.23Å; S1133-E1136 WeakPolarHBondContact OG-CG 3.36Å; S1133-E1136 PolarHBondContact OG-N 3.44Å; S1133-E1136 VanDerWaalsContact OG-N 3.08Å; S1133-A1137 WeakPolarHBondContact O-CB 3.47Å; S1133-A1137 PolarHBondContact O-N 3.16Å |
| 1134 | P | 68.4 | Low | 64.4 | Low | 67 Ų | 67 | 60.1 Ų | 60.1 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60 | -39.4 | 173.4 | -19.4 | 30.6 | 0 | 0 | 0 | 112.4 | A1098 A1137 E1138 | A1098-P1134 HydrophobicContact CB-CG 4.27Å; P1134-A1137 WeakPolarHBondContact O-CB 3.34Å; P1134-A1137 PolarHBondContact O-N 3.45Å; P1134-E1138 PolarHBondContact O-N 2.62Å; P1134-E1138 VanDerWaalsContact O-N 3.11Å |
| 1135 | V | 71.3 | Confident | 64.2 | Low | 75 Ų | 75 | 60.4 Ų | 60.4 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | -179.8 | 178 | 0 | 0 | 0 | 0 | 111.3 | S1133 E1138 K1139 | S1133-V1135 VanDerWaalsContact C-N 3.29Å; S1133-V1135 PolarHBondContact O-N 2.89Å; V1135-E1138 PolarHBondContact O-N 2.81Å; V1135-K1139 WeakPolarHBondContact O-CG 3.19Å; V1135-K1139 PolarHBondContact O-N 2.94Å |
| 1136 | E | 69.1 | Low | 64.1 | Low | 20 Ų | 20 | 60.4 Ų | 60.4 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -75.9 | -26.2 | 177.9 | -66.6 | -54.6 | 142.3 | 0 | 0 | 112.2 | L1079 P1131 S1133 K1139 A1140 L1148 | L1079-E1136 HydrophobicContact CB-CG 4.43Å; L1079-E1136 HydrophobicContact CD2-CG 4.05Å; P1131-E1136 HydrophobicContact CB-CB 4.39Å; S1133-E1136 PolarHBondContact O-N 2.96Å; S1133-E1136 VanDerWaalsContact OG-CB 3.27Å; S1133-E1136 WeakPolarHBondContact OG-CB 3.19Å; S1133-E1136 VanDerWaalsContact OG-CG 3.23Å; S1133-E1136 WeakPolarHBondContact OG-CG 3.36Å; S1133-E1136 PolarHBondContact OG-N 3.44Å; S1133-E1136 VanDerWaalsContact OG-N 3.08Å; E1136-K1139 IonicContact OE1-NZ 3.24Å; E1136-K1139 PolarHBondContact OE1-NZ 2.96Å; E1136-A1140 WeakPolarHBondContact O-CB 3.4Å; E1136-A1140 PolarHBondContact O-N 3.12Å; E1136-L1148 HydrophobicContact CB-CD1 3.91Å; E1136-L1148 HydrophobicContact CG-CD1 4.06Å; E1136-L1148 WeakPolarHBondContact OE2-CD1 3.2Å |
| 1137 | A | 62.9 | Low | 63.8 | Low | 33 Ų | 33 | 61.6 Ų | 61.6 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1131 S1133 P1134 | P1131-A1137 HydrophobicContact CB-CB 4.09Å; P1131-A1137 HydrophobicContact CG-CB 3.8Å; S1133-A1137 WeakPolarHBondContact O-CB 3.47Å; S1133-A1137 PolarHBondContact O-N 3.16Å; P1134-A1137 WeakPolarHBondContact O-CB 3.34Å; P1134-A1137 PolarHBondContact O-N 3.45Å |
| 1138 | E | 62.4 | Low | 63.1 | Low | 136 Ų | 136 | 59.2 Ų | 59.2 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -71.3 | -49 | 173.9 | -74 | -174.7 | 167.3 | 0 | 0 | 112.3 | P1134 V1135 A1140 Q1141 L1142 | P1134-E1138 PolarHBondContact O-N 2.62Å; P1134-E1138 VanDerWaalsContact O-N 3.11Å; V1135-E1138 PolarHBondContact O-N 2.81Å; E1138-A1140 PolarHBondContact O-N 2.88Å; E1138-Q1141 WeakPolarHBondContact O-CB 3.11Å; E1138-Q1141 PolarHBondContact O-N 3.32Å; E1138-L1142 PolarHBondContact O-N 3.25Å |
| 1139 | K | 64.3 | Low | 62.1 | Low | 98 Ų | 98 | 64.8 Ų | 64.8 | 43% | 0.426 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.5 | -34.5 | 177.2 | -73.3 | -178.6 | -170.3 | 163.6 | 0 | 112.5 | V1135 E1136 Q1141 L1142 D1143 N1146 | V1135-K1139 WeakPolarHBondContact O-CG 3.19Å; V1135-K1139 PolarHBondContact O-N 2.94Å; E1136-K1139 IonicContact OE1-NZ 3.24Å; E1136-K1139 PolarHBondContact OE1-NZ 2.96Å; K1139-Q1141 PolarHBondContact O-N 3.42Å; K1139-L1142 PolarHBondContact O-N 2.92Å; K1139-D1143 PolarHBondContact O-N 3.28Å; K1139-N1146 PolarHBondContact O-ND2 3.48Å |
| 1140 | A | 56.2 | Low | 60.9 | Low | 16 Ų | 16 | 63.4 Ų | 63.4 | 13% | 0.132 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.1 | -25.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1136 E1138 R1149 | E1136-A1140 WeakPolarHBondContact O-CB 3.4Å; E1136-A1140 PolarHBondContact O-N 3.12Å; E1138-A1140 PolarHBondContact O-N 2.88Å; A1140-R1149 WeakPolarHBondContact O-CD 3.38Å; A1140-R1149 PolarHBondContact O-NE 2.93Å; A1140-R1149 PolarHBondContact O-NH1 2.79Å; A1140-R1149 PolarHBondContact O-NH2 2.86Å |
| 1141 | Q | 52.6 | Low | 59.8 | Low | 158 Ų | 158 | 64.3 Ų | 64.3 | 74% | 0.738 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -85.7 | -27 | 178.2 | -68 | -174.9 | -1 | 0 | 0 | 114 | E1138 K1139 | E1138-Q1141 WeakPolarHBondContact O-CB 3.11Å; E1138-Q1141 PolarHBondContact O-N 3.32Å; K1139-Q1141 PolarHBondContact O-N 3.42Å |
| 1142 | L | 49.8 | Very low | 59 | Low | 144 Ų | 144 | 63 Ų | 63 | 75% | 0.754 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -94.9 | -28.2 | -167.4 | -83.7 | 144.2 | 0 | 0 | 0 | 115.6 | E1138 K1139 | E1138-L1142 PolarHBondContact O-N 3.25Å; K1139-L1142 PolarHBondContact O-N 2.92Å |
| 1143 | D | 47 | Very low | 58.3 | Low | 101 Ų | 101 | 68.3 Ų | 68.3 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | trans | -118.6 | 127.7 | -173.1 | -95.1 | -38.6 | 0 | 0 | 0 | 114.6 | K1139 N1145 N1146 | K1139-D1143 PolarHBondContact O-N 3.28Å; D1143-N1145 PolarHBondContact O-N 2.88Å; D1143-N1146 HydrophobicContact CB-CB 4.35Å | ||
| 1144 | G | 45.8 | Very low | 58.3 | Low | 67 Ų | 67 | 68.2 Ų | 68.2 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -15.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1145 | N | 46.3 | Very low | 58.1 | Low | 110 Ų | 110 | 65 Ų | 65 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 16.3 | -177.6 | -80.2 | -10.1 | 0 | 0 | 0 | 113.7 | D1143 F1147 | D1143-N1145 PolarHBondContact O-N 2.88Å; N1145-F1147 PolarHBondContact O-N 2.86Å |
| 1146 | N | 55.8 | Low | 57.7 | Low | 24 Ų | 24 | 62.3 Ų | 62.3 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | trans | -70.5 | 130.3 | -172.8 | -147.3 | -12.9 | 0 | 0 | 0 | 110.9 | K1139 D1143 L1148 R1149 | K1139-N1146 PolarHBondContact O-ND2 3.48Å; D1143-N1146 HydrophobicContact CB-CB 4.35Å; N1146-L1148 PolarHBondContact O-N 2.96Å; N1146-R1149 HydrophobicContact CB-CB 4.38Å; N1146-R1149 PolarHBondContact O-N 2.9Å | ||
| 1147 | F | 58.4 | Low | 57.1 | Low | 37 Ų | 37 | 61.4 Ų | 61.4 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -47.8 | -37.2 | 176.6 | 168 | -99.1 | 0 | 0 | 0 | 111.5 | I923 N1145 R1149 F1168 F1184 | I923-F1147 HydrophobicContact CB-CE2 4.22Å; I923-F1147 HydrophobicContact CD1-CE2 3.4Å; I923-F1147 HydrophobicContact CD1-CZ 3.55Å; I923-F1147 HydrophobicContact CG1-CE2 4.37Å; I923-F1147 HydrophobicContact CG2-CE2 4.25Å; N1145-F1147 PolarHBondContact O-N 2.86Å; F1147-R1149 PolarHBondContact O-N 2.81Å; F1147-F1168 HydrophobicContact CD1-CD1 4.45Å; F1147-F1168 HydrophobicContact CE1-CB 4.32Å; F1147-F1168 AromaticContact CE1-CD1 3.72Å; F1147-F1168 HydrophobicContact CE1-CD1 3.72Å; F1147-F1168 HydrophobicContact CE1-CG 4.42Å; F1147-F1168 HydrophobicContact CZ-CD1 4.12Å; F1147-F1184 HydrophobicContact CD1-CD1 4.18Å; F1147-F1184 HydrophobicContact CD2-CB 4.5Å; F1147-F1184 HydrophobicContact CE1-CB 3.99Å; F1147-F1184 HydrophobicContact CE1-CD1 4.14Å; F1147-F1184 HydrophobicContact CE1-CG 4.4Å; F1147-F1184 HydrophobicContact CE2-CB 3.86Å; F1147-F1184 HydrophobicContact CZ-CB 3.58Å; F1147-F1184 HydrophobicContact CZ-CG 4.38Å |
| 1148 | L | 56.8 | Low | 56.8 | Low | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -73.7 | -15.7 | 178.7 | -58.6 | 177.1 | 0 | 0 | 0 | 115.3 | L1079 A1080 E1136 N1146 F1168 | L1079-L1148 HydrophobicContact CB-CD1 4.36Å; L1079-L1148 HydrophobicContact CB-CD2 3.94Å; L1079-L1148 HydrophobicContact CD1-CD2 4.32Å; A1080-L1148 HydrophobicContact CB-CD1 4.48Å; A1080-L1148 HydrophobicContact CB-CD2 3.93Å; E1136-L1148 HydrophobicContact CB-CD1 3.91Å; E1136-L1148 HydrophobicContact CG-CD1 4.06Å; E1136-L1148 WeakPolarHBondContact OE2-CD1 3.2Å; N1146-L1148 PolarHBondContact O-N 2.96Å; L1148-F1168 HydrophobicContact CD2-CB 3.64Å; L1148-F1168 HydrophobicContact CD2-CD1 4.36Å; L1148-F1168 HydrophobicContact CD2-CD2 4.22Å; L1148-F1168 HydrophobicContact CD2-CG 3.82Å |
| 1149 | R | 52.8 | Low | 56.7 | Low | 132 Ų | 132 | 58.7 Ų | 58.7 | 50% | 0.498 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -100.1 | 3.1 | -178.3 | -89.1 | -166.9 | 164.7 | -178.5 | 5.4 | 114.6 | A1140 N1146 F1147 | A1140-R1149 WeakPolarHBondContact O-CD 3.38Å; A1140-R1149 PolarHBondContact O-NE 2.93Å; A1140-R1149 PolarHBondContact O-NH1 2.79Å; A1140-R1149 PolarHBondContact O-NH2 2.86Å; N1146-R1149 HydrophobicContact CB-CB 4.38Å; N1146-R1149 PolarHBondContact O-N 2.9Å; F1147-R1149 PolarHBondContact O-N 2.81Å |
| 1150 | G | 52.4 | Low | 56.7 | Low | 21 Ų | 21 | 55.8 Ų | 55.8 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | 41.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1153 | G1150-R1153 WeakPolarHBondContact O-CG 3.14Š|
| 1151 | V | 53.7 | Low | 57.1 | Low | 53 Ų | 53 | 58.6 Ų | 58.6 | 32% | 0.321 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -62.5 | -38.6 | 159.4 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | T954 | T954-V1151 HydrophobicContact CG2-CG1 4.37Å; T954-V1151 VanDerWaalsContact CG2-O 3.24Å; T954-V1151 WeakPolarHBondContact CG2-O 3.38Å |
| 1152 | C | 59.4 | Low | 58 | Low | 12 Ų | 12 | 54.6 Ų | 54.6 | 8% | 0.081 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -106.9 | 77.2 | 178.8 | -50.7 | 0 | 0 | 0 | 0 | 110.4 | W991 F1154 | W991-C1152 HydrophobicContact CB-CB 4.48Å; W991-C1152 HydrophobicContact CD2-CB 4.48Å; W991-C1152 HydrophobicContact CG-CB 4.27Å; C1152-F1154 HydrophobicContact CB-CE2 4.31Å; C1152-F1154 PolarHBondContact O-N 2.78Å |
| 1153 | R | 64.5 | Low | 59.2 | Low | 120 Ų | 120 | 47.8 Ų | 47.8 | 45% | 0.453 | 27% | 0.274 | S | S | . | . | trans | -84.7 | 101 | 173.7 | -72.1 | -179.4 | -170.7 | -176.8 | 2.2 | 110 | G1150 | G1150-R1153 WeakPolarHBondContact O-CG 3.14Š| ||
| 1154 | F | 74.4 | Confident | 60.7 | Low | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | trans | -67.7 | 130.8 | 169.8 | -64.8 | -79.7 | 0 | 0 | 0 | 109.9 | I923 N950 A952 W991 R993 C1152 A1156 E1186 | I923-F1154 HydrophobicContact CD1-CE2 3.66Å; I923-F1154 HydrophobicContact CD1-CZ 4.22Å; I923-F1154 HydrophobicContact CG1-CE2 3.98Å; I923-F1154 HydrophobicContact CG1-CZ 4.05Å; N950-F1154 VanDerWaalsContact C-CD1 3.47Å; N950-F1154 VanDerWaalsContact O-CE1 3.29Å; N950-F1154 WeakPolarHBondContact O-CE1 3.18Å; A952-F1154 HydrophobicContact CB-CD1 4.26Å; A952-F1154 HydrophobicContact CB-CE1 4.29Å; W991-F1154 HydrophobicContact CB-CZ 4.35Å; R993-F1154 HydrophobicContact CB-CD1 4.44Å; R993-F1154 HydrophobicContact CB-CE1 3.91Å; R993-F1154 HydrophobicContact CB-CE2 4.44Å; R993-F1154 HydrophobicContact CB-CZ 3.9Å; C1152-F1154 HydrophobicContact CB-CE2 4.31Å; C1152-F1154 PolarHBondContact O-N 2.78Å; F1154-A1156 PolarHBondContact O-N 2.84Å; F1154-E1186 WeakPolarHBondContact CD2-OE2 3.23Å | ||
| 1155 | P | 64.8 | Low | 62.5 | Low | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 26.4 | -173.1 | 34.8 | -39.3 | 0 | 0 | 0 | 112.9 | A948 W965 V972 Y974 N1157 A1158 | A948-P1155 WeakPolarHBondContact O-CG 3.49Å; W965-P1155 HydrophobicContact CE3-CB 4.48Å; W965-P1155 HydrophobicContact CZ3-CB 4.45Å; V972-P1155 HydrophobicContact CB-CG 4.22Å; V972-P1155 HydrophobicContact CG1-CB 4.44Å; V972-P1155 HydrophobicContact CG1-CG 4.06Å; V972-P1155 HydrophobicContact CG2-CB 3.97Å; V972-P1155 HydrophobicContact CG2-CG 3.66Å; Y974-P1155 WeakPolarHBondContact OH-CD 3.12Å; P1155-N1157 PolarHBondContact O-N 2.87Å; P1155-N1157 VanDerWaalsContact O-N 3.08Å; P1155-A1158 HydrophobicContact CB-CB 4.19Å; P1155-A1158 VanDerWaalsContact O-CB 3.3Å; P1155-A1158 WeakPolarHBondContact O-CB 3.36Å; P1155-A1158 PolarHBondContact O-N 2.81Å |
| 1156 | A | 61.4 | Low | 64.2 | Low | 17 Ų | 17 | 34.8 Ų | 34.8 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.1 | -35.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A949 F1154 | A949-A1156 HydrophobicContact CB-CB 4.24Å; F1154-A1156 PolarHBondContact O-N 2.84Å |
| 1157 | N | 57.4 | Low | 65.7 | Low | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -75.2 | -26.5 | 175.2 | -91.4 | 2.6 | 0 | 0 | 0 | 115.9 | Q1084 S1085 P1155 V1159 S1160 S1161 K1162 V1164 | Q1084-N1157 WeakPolarHBondContact CB-ND2 3.35Å; Q1084-N1157 HydrophobicContact CG-CB 4.24Å; Q1084-N1157 VanDerWaalsContact CG-ND2 3.31Å; Q1084-N1157 WeakPolarHBondContact CG-ND2 3.34Å; Q1084-N1157 PolarHBondContact O-ND2 3.16Å; S1085-N1157 PolarHBondContact N-ND2 2.99Å; P1155-N1157 PolarHBondContact O-N 2.87Å; P1155-N1157 VanDerWaalsContact O-N 3.08Å; N1157-V1159 PolarHBondContact O-N 2.69Å; N1157-S1160 PolarHBondContact O-N 2.8Å; N1157-S1161 PolarHBondContact O-N 2.65Å; N1157-S1161 VanDerWaalsContact O-N 3.07Å; N1157-K1162 VanDerWaalsContact CG-O 3.3Å; N1157-K1162 PolarHBondContact OD1-O 2.73Å; N1157-V1164 WeakPolarHBondContact OD1-CB 3.32Å; N1157-V1164 WeakPolarHBondContact OD1-CG2 3.49Å; N1157-V1164 PolarHBondContact OD1-N 2.85Å |
| 1158 | A | 57.4 | Low | 67 | Low | 36 Ų | 36 | 32.5 Ų | 32.5 | 30% | 0.298 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.2 | -23.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | W965 V967 P1155 | W965-A1158 HydrophobicContact CH2-CB 3.34Å; W965-A1158 HydrophobicContact CZ2-CB 4.49Å; W965-A1158 HydrophobicContact CZ3-CB 3.38Å; V967-A1158 HydrophobicContact CG2-CB 3.9Å; P1155-A1158 HydrophobicContact CB-CB 4.19Å; P1155-A1158 VanDerWaalsContact O-CB 3.3Å; P1155-A1158 WeakPolarHBondContact O-CB 3.36Å; P1155-A1158 PolarHBondContact O-N 2.81Å |
| 1159 | V | 60.1 | Low | 68.5 | Low | 76 Ų | 76 | 32.3 Ų | 32.3 | 46% | 0.461 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -89.7 | -36.2 | 179.3 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | N1157 | N1157-V1159 PolarHBondContact O-N 2.69Å |
| 1160 | S | 63.1 | Low | 70.2 | Confident | 37 Ų | 37 | 26.6 Ų | 26.6 | 26% | 0.259 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -100.5 | -16.9 | -171 | 79.5 | 0 | 0 | 0 | 0 | 115.5 | N1157 K1162 | N1157-S1160 PolarHBondContact O-N 2.8Å; S1160-K1162 PolarHBondContact O-N 2.94Å; S1160-K1162 PolarHBondContact OG-N 2.99Å |
| 1161 | S | 64.5 | Low | 71.9 | Confident | 75 Ų | 75 | 25.8 Ų | 25.8 | 52% | 0.524 | 15% | 0.148 | S | C | . | . | trans | 57.3 | 0.2 | -172.3 | 73.1 | 0 | 0 | 0 | 0 | 116.4 | T1086 N1157 | T1086-S1161 PolarHBondContact OG1-O 2.53Å; N1157-S1161 PolarHBondContact O-N 2.65Å; N1157-S1161 VanDerWaalsContact O-N 3.07Å | ||
| 1162 | K | 71.4 | Confident | 73.3 | Confident | 73 Ų | 73 | 26.7 Ų | 26.7 | 32% | 0.317 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -86.4 | 156.1 | 175.6 | -68.5 | -175.6 | 179.4 | -172.9 | 0 | 110.2 | N1157 S1160 I1190 D1192 | N1157-K1162 VanDerWaalsContact CG-O 3.3Å; N1157-K1162 PolarHBondContact OD1-O 2.73Å; S1160-K1162 PolarHBondContact O-N 2.94Å; S1160-K1162 PolarHBondContact OG-N 2.99Å; K1162-I1190 HydrophobicContact CB-CG2 3.83Å; K1162-I1190 HydrophobicContact CD-CG2 3.61Å; K1162-I1190 HydrophobicContact CG-CG2 4.36Å; K1162-D1192 IonicContact NZ-OD1 2.78Å; K1162-D1192 PolarHBondContact NZ-OD1 3.28Å |
| 1163 | P | 75.1 | Confident | 74.1 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | trans | -65.9 | 143.5 | 169.4 | -1.9 | 14.7 | 0 | 0 | 0 | 110.3 | Q1084 V1191 | Q1084-P1163 WeakPolarHBondContact O-CA 3.36Å; P1163-V1191 HydrophobicContact CB-CB 4.15Å; P1163-V1191 HydrophobicContact CB-CG2 4.35Å; P1163-V1191 HydrophobicContact CG-CB 4.15Å; P1163-V1191 PolarHBondContact O-N 3.39Å | ||
| 1164 | V | 79.1 | Confident | 74.5 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.5 | 173.1 | 163.8 | 0 | 0 | 0 | 0 | 108.4 | M1083 Q1084 N1157 L1189 I1190 | M1083-V1164 CarbonylContact C-O 3.55Å; M1083-V1164 WeakPolarHBondContact CA-O 3.27Å; Q1084-V1164 PolarHBondContact N-O 2.81Å; Q1084-V1164 PolarHBondContact O-N 2.77Å; N1157-V1164 WeakPolarHBondContact OD1-CB 3.32Å; N1157-V1164 WeakPolarHBondContact OD1-CG2 3.49Å; N1157-V1164 PolarHBondContact OD1-N 2.85Å; V1164-L1189 WeakPolarHBondContact CA-O 3.38Å; V1164-I1190 HydrophobicContact CG2-CG1 3.97Å |
| 1165 | I | 82.9 | Confident | 74.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132.1 | 170.1 | -63.5 | -174.4 | 0 | 0 | 0 | 107.9 | I1043 I1063 L1065 V1081 G1082 M1083 S1188 L1189 V1191 | I1043-I1165 HydrophobicContact CD1-CD1 3.57Å; I1043-I1165 HydrophobicContact CD1-CG1 4.5Å; I1063-I1165 HydrophobicContact CD1-CD1 3.55Å; I1063-I1165 HydrophobicContact CG1-CD1 4.14Å; I1063-I1165 HydrophobicContact CG2-CD1 3.73Å; L1065-I1165 HydrophobicContact CD1-CG2 4.18Å; L1065-I1165 HydrophobicContact CD2-CG2 4.28Å; V1081-I1165 HydrophobicContact CG1-CG2 3.8Å; G1082-I1165 CarbonylContact O-C 3.48Å; G1082-I1165 VanDerWaalsContact O-CA 3.31Å; G1082-I1165 WeakPolarHBondContact O-CA 3.49Å; M1083-I1165 HydrophobicContact CB-CG1 4.4Å; M1083-I1165 HydrophobicContact CG-CG1 4.12Å; M1083-I1165 HydrophobicContact SD-CG1 4.43Å; I1165-S1188 CarbonylContact O-C 3.49Å; I1165-S1188 VanDerWaalsContact O-CA 3.31Å; I1165-S1188 WeakPolarHBondContact O-CA 3.37Å; I1165-L1189 PolarHBondContact N-O 2.79Å; I1165-L1189 PolarHBondContact O-N 2.79Å; I1165-V1191 HydrophobicContact CD1-CG2 3.9Å; I1165-V1191 HydrophobicContact CG1-CG2 3.75Å |
| 1166 | S | 83 | Confident | 74.6 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.1 | 179.6 | -69.9 | 0 | 0 | 0 | 0 | 109.7 | V1081 G1082 E1186 T1187 S1188 | V1081-S1166 CarbonylContact C-O 3.56Å; G1082-S1166 PolarHBondContact N-O 3.02Å; G1082-S1166 PolarHBondContact O-N 2.84Å; S1166-E1186 WeakPolarHBondContact CB-OE1 3.47Å; S1166-E1186 PolarHBondContact OG-OE1 3.04Å; S1166-T1187 CarbonylContact C-O 3.59Å; S1166-T1187 WeakPolarHBondContact CA-O 3.37Å; S1166-S1188 PolarHBondContact OG-OG 3.12Å; S1166-S1188 VanDerWaalsContact OG-OG 3.11Å |
| 1167 | L | 86.1 | Confident | 75.2 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.5 | 171.9 | -179.9 | 69.2 | 0 | 0 | 0 | 108.7 | V1039 A1041 V1067 L1078 V1081 I1111 L1132 E1186 T1187 | V1039-L1167 HydrophobicContact CG1-CD2 4.01Å; A1041-L1167 HydrophobicContact CB-CD2 4.37Å; V1067-L1167 HydrophobicContact CB-CD2 4.32Å; V1067-L1167 HydrophobicContact CG1-CD2 3.58Å; V1067-L1167 HydrophobicContact CG2-CD2 3.67Å; L1078-L1167 HydrophobicContact CD1-CD1 4.5Å; L1078-L1167 HydrophobicContact CD2-CD1 4.38Å; L1078-L1167 HydrophobicContact CD2-CD2 4Å; L1078-L1167 HydrophobicContact CD2-CG 4.3Å; V1081-L1167 HydrophobicContact CG2-CD1 4.05Å; I1111-L1167 HydrophobicContact CD1-CD1 4.32Å; L1132-L1167 HydrophobicContact CD1-CD1 4.38Å; L1167-E1186 WeakPolarHBondContact O-CA 3.32Å; L1167-T1187 PolarHBondContact N-O 3.31Å; L1167-T1187 PolarHBondContact O-N 2.83Å |
| 1168 | F | 86.8 | Confident | 75.9 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.9 | 177.5 | -61.4 | -80.3 | 0 | 0 | 0 | 110 | L1079 A1080 F1127 F1147 L1148 G1185 E1186 | L1079-F1168 HydrophobicContact CB-CB 4.27Å; L1079-F1168 PolarHBondContact N-O 3.29Å; A1080-F1168 HydrophobicContact CB-CB 4.43Å; A1080-F1168 HydrophobicContact CB-CD2 4.01Å; A1080-F1168 PolarHBondContact O-N 2.87Å; F1127-F1168 HydrophobicContact CE2-CZ 4.38Å; F1127-F1168 HydrophobicContact CZ-CE2 4.01Å; F1127-F1168 AromaticContact CZ-CZ 3.98Å; F1127-F1168 HydrophobicContact CZ-CZ 3.98Å; F1147-F1168 HydrophobicContact CD1-CD1 4.45Å; F1147-F1168 HydrophobicContact CE1-CB 4.32Å; F1147-F1168 AromaticContact CE1-CD1 3.72Å; F1147-F1168 HydrophobicContact CE1-CD1 3.72Å; F1147-F1168 HydrophobicContact CE1-CG 4.42Å; F1147-F1168 HydrophobicContact CZ-CD1 4.12Å; L1148-F1168 HydrophobicContact CD2-CB 3.64Å; L1148-F1168 HydrophobicContact CD2-CD1 4.36Å; L1148-F1168 HydrophobicContact CD2-CD2 4.22Å; L1148-F1168 HydrophobicContact CD2-CG 3.82Å; F1168-G1185 WeakPolarHBondContact CA-O 2.99Å; F1168-E1186 HydrophobicContact CD1-CB 4.11Å; F1168-E1186 HydrophobicContact CD1-CG 3.96Å; F1168-E1186 HydrophobicContact CE1-CB 4.1Å; F1168-E1186 HydrophobicContact CE1-CG 3.6Å; F1168-E1186 HydrophobicContact CZ-CG 4.19Å |
| 1169 | W | 88.8 | Confident | 76.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 161.4 | 180 | 56 | -99.5 | 0 | 0 | 0 | 112.1 | F919 E920 D921 Q922 V1039 M1076 K1077 L1078 T1171 F1184 G1185 T1187 | F919-W1169 HydrophobicContact CB-CH2 3.88Å; E920-W1169 VanDerWaalsContact O-CZ2 3.27Å; E920-W1169 WeakPolarHBondContact O-CZ2 3.48Å; D921-W1169 HydrophobicContact CB-CZ2 4.39Å; Q922-W1169 HydrophobicContact CB-CH2 4.16Å; V1039-W1169 HydrophobicContact CG2-CD2 4.36Å; V1039-W1169 HydrophobicContact CG2-CG 4.13Å; M1076-W1169 HydrophobicContact CE-CE3 4.19Å; M1076-W1169 HydrophobicContact CE-CH2 4.31Å; M1076-W1169 HydrophobicContact CE-CZ3 3.92Å; M1076-W1169 HydrophobicContact SD-CD2 4.05Å; M1076-W1169 HydrophobicContact SD-CE3 3.43Å; M1076-W1169 HydrophobicContact SD-CZ3 3.75Å; K1077-W1169 CarbonylContact O-C 3.59Å; K1077-W1169 WeakPolarHBondContact O-CA 3.32Å; L1078-W1169 HydrophobicContact CD2-CB 4.05Å; W1169-T1171 HydrophobicContact CZ3-CG2 4.14Å; W1169-F1184 WeakPolarHBondContact O-CA 3.27Å; W1169-G1185 PolarHBondContact N-O 3.29Å; W1169-G1185 PolarHBondContact O-N 2.87Å; W1169-T1187 PolarHBondContact NE1-OG1 3.32Å; W1169-T1187 VanDerWaalsContact NE1-OG1 3.12Å |
| 1170 | S | 88.7 | Confident | 77.5 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.9 | 171 | 62.8 | 0 | 0 | 0 | 0 | 111.8 | K1077 L1183 | K1077-S1170 PolarHBondContact N-O 2.74Å; K1077-S1170 PolarHBondContact O-N 3.22Å; S1170-L1183 CarbonylContact C-O 3.48Å; S1170-L1183 WeakPolarHBondContact CA-O 3.49Å; S1170-L1183 WeakPolarHBondContact CB-O 3.23Å |
| 1171 | T | 88 | Confident | 78.3 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 159.7 | 172.5 | -171.1 | 0 | 0 | 0 | 0 | 110 | F919 C1074 E1075 M1076 W1169 T1182 L1183 | F919-T1171 HydrophobicContact CD2-CG2 4.41Å; F919-T1171 HydrophobicContact CE2-CG2 4.29Å; C1074-T1171 WeakPolarHBondContact CB-OG1 3.32Å; E1075-T1171 WeakPolarHBondContact O-CB 3.38Å; E1075-T1171 PolarHBondContact O-OG1 3.08Å; M1076-T1171 HydrophobicContact CE-CG2 4.07Å; M1076-T1171 HydrophobicContact SD-CG2 4.04Å; W1169-T1171 HydrophobicContact CZ3-CG2 4.14Å; T1171-T1182 CarbonylContact O-C 3.51Å; T1171-T1182 WeakPolarHBondContact O-CA 3.46Å; T1171-L1183 HydrophobicContact CG2-CB 4.01Å; T1171-L1183 HydrophobicContact CG2-CD1 4.25Å; T1171-L1183 HydrophobicContact CG2-CG 4.47Å; T1171-L1183 PolarHBondContact N-O 2.96Å; T1171-L1183 PolarHBondContact O-N 3.42Å |
| 1172 | S | 83.4 | Confident | 79.2 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.9 | 177 | -62 | 0 | 0 | 0 | 0 | 109.3 | ||
| 1173 | M | 75.3 | Confident | 79.9 | Confident | 77 Ų | 77 | 48.1 Ų | 48.1 | 38% | 0.379 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.2 | 179.3 | -172.5 | 177.4 | 71.5 | 0 | 0 | 109.7 | F919 V1181 L1183 | F919-M1173 HydrophobicContact CE2-SD 4.42Å; M1173-V1181 PolarHBondContact N-O 3.37Å; M1173-V1181 PolarHBondContact O-N 3.08Å; M1173-L1183 HydrophobicContact CB-CD1 4.04Å; M1173-L1183 HydrophobicContact CE-CD1 4.16Å; M1173-L1183 HydrophobicContact SD-CD1 4.24Å |
| 1174 | A | 72.8 | Confident | 80.5 | Confident | 72 Ų | 72 | 52 Ų | 52 | 60% | 0.595 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 126.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1175 | R | 69.5 | Low | 80.9 | Confident | 140 Ų | 140 | 52 Ų | 52 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | trans | -78.7 | 164.8 | 170.7 | -64.9 | -175.3 | 101.7 | 147.4 | 0.6 | 110.2 | D1177 G1178 T1179 V1181 | R1175-D1177 WeakPolarHBondContact CB-OD1 3.37Å; R1175-D1177 PolarHBondContact O-N 3.05Å; R1175-D1177 VanDerWaalsContact O-N 3.12Å; R1175-G1178 PolarHBondContact O-N 3.44Å; R1175-T1179 WeakPolarHBondContact CD-OG1 3.47Å; R1175-T1179 PolarHBondContact N-O 3.27Å; R1175-V1181 HydrophobicContact CG-CG2 3.94Å | ||
| 1176 | S | 71.2 | Confident | 81.1 | Confident | 139 Ų | 139 | 52.5 Ų | 52.5 | 97% | 0.972 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.2 | 176.7 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | G1178 | S1176-G1178 VanDerWaalsContact C-N 3.33Š|
| 1177 | D | 75.6 | Confident | 81.3 | Confident | 106 Ų | 106 | 52.8 Ų | 52.8 | 57% | 0.567 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 3.8 | 175 | 62 | 12.7 | 0 | 0 | 0 | 113.4 | R1175 T1179 | R1175-D1177 WeakPolarHBondContact CB-OD1 3.37Å; R1175-D1177 PolarHBondContact O-N 3.05Å; R1175-D1177 VanDerWaalsContact O-N 3.12Å; D1177-T1179 VanDerWaalsContact C-N 3.3Å; D1177-T1179 PolarHBondContact O-N 2.86Å; D1177-T1179 WeakPolarHBondContact OD1-CB 3.27Å; D1177-T1179 WeakPolarHBondContact OD1-CG2 3.5Å; D1177-T1179 PolarHBondContact OD1-N 3.11Å; D1177-T1179 PolarHBondContact OD1-OG1 2.99Å |
| 1178 | G | 70.7 | Confident | 81.1 | Confident | 62 Ų | 62 | 54.1 Ų | 54.1 | 64% | 0.639 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 82.4 | -1.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1175 S1176 | R1175-G1178 PolarHBondContact O-N 3.44Å; S1176-G1178 VanDerWaalsContact C-N 3.33Å |
| 1179 | T | 76.3 | Confident | 80.9 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | trans | -76.5 | 133.8 | 175.1 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | R1175 D1177 | R1175-T1179 WeakPolarHBondContact CD-OG1 3.47Å; R1175-T1179 PolarHBondContact N-O 3.27Å; D1177-T1179 VanDerWaalsContact C-N 3.3Å; D1177-T1179 PolarHBondContact O-N 2.86Å; D1177-T1179 WeakPolarHBondContact OD1-CB 3.27Å; D1177-T1179 WeakPolarHBondContact OD1-CG2 3.5Å; D1177-T1179 PolarHBondContact OD1-N 3.11Å; D1177-T1179 PolarHBondContact OD1-OG1 2.99Å | ||
| 1180 | V | 74.7 | Confident | 80.3 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 60% | 0.6 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.4 | 173.6 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 1181 | V | 81.1 | Confident | 79.5 | Confident | 47 Ų | 47 | 60 Ų | 60 | 29% | 0.285 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.4 | 176.4 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | M1173 R1175 L1183 | M1173-V1181 PolarHBondContact N-O 3.37Å; M1173-V1181 PolarHBondContact O-N 3.08Å; R1175-V1181 HydrophobicContact CG-CG2 3.94Å; V1181-L1183 HydrophobicContact CG1-CD2 3.95Å |
| 1182 | T | 83.7 | Confident | 78.3 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 45% | 0.454 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.8 | 170.1 | -51 | 0 | 0 | 0 | 0 | 109.5 | T1171 F1184 | T1171-T1182 CarbonylContact O-C 3.51Å; T1171-T1182 WeakPolarHBondContact O-CA 3.46Å; T1182-F1184 HydrophobicContact CG2-CE1 4.41Å; T1182-F1184 HydrophobicContact CG2-CE2 4.13Å; T1182-F1184 HydrophobicContact CG2-CZ 3.95Å |
| 1183 | L | 86.2 | Confident | 77 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 147.3 | 175.4 | -49.8 | 178.9 | 0 | 0 | 0 | 108.8 | F919 S1170 T1171 M1173 V1181 | F919-L1183 HydrophobicContact CD2-CD1 3.88Å; F919-L1183 HydrophobicContact CE2-CD1 3.91Å; S1170-L1183 CarbonylContact C-O 3.48Å; S1170-L1183 WeakPolarHBondContact CA-O 3.49Å; S1170-L1183 WeakPolarHBondContact CB-O 3.23Å; T1171-L1183 HydrophobicContact CG2-CB 4.01Å; T1171-L1183 HydrophobicContact CG2-CD1 4.25Å; T1171-L1183 HydrophobicContact CG2-CG 4.47Å; T1171-L1183 PolarHBondContact N-O 2.96Å; T1171-L1183 PolarHBondContact O-N 3.42Å; M1173-L1183 HydrophobicContact CB-CD1 4.04Å; M1173-L1183 HydrophobicContact CE-CD1 4.16Å; M1173-L1183 HydrophobicContact SD-CD1 4.24Å; V1181-L1183 HydrophobicContact CG1-CD2 3.95Å |
| 1184 | F | 87.6 | Confident | 75.9 | Confident | 85 Ų | 85 | 63 Ų | 63 | 37% | 0.373 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 152.4 | 176.7 | -62.6 | -86.6 | 0 | 0 | 0 | 110.1 | I923 L1079 F1147 W1169 T1182 | I923-F1184 PolarHBondContact N-O 3.28Å; L1079-F1184 HydrophobicContact CD1-CD1 3.97Å; L1079-F1184 HydrophobicContact CD1-CE1 4.13Å; F1147-F1184 HydrophobicContact CD1-CD1 4.18Å; F1147-F1184 HydrophobicContact CD2-CB 4.5Å; F1147-F1184 HydrophobicContact CE1-CB 3.99Å; F1147-F1184 HydrophobicContact CE1-CD1 4.14Å; F1147-F1184 HydrophobicContact CE1-CG 4.4Å; F1147-F1184 HydrophobicContact CE2-CB 3.86Å; F1147-F1184 HydrophobicContact CZ-CB 3.58Å; F1147-F1184 HydrophobicContact CZ-CG 4.38Å; W1169-F1184 WeakPolarHBondContact O-CA 3.27Å; T1182-F1184 HydrophobicContact CG2-CE1 4.41Å; T1182-F1184 HydrophobicContact CG2-CE2 4.13Å; T1182-F1184 HydrophobicContact CG2-CZ 3.95Å |
| 1185 | G | 86.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 166.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D921 F1168 W1169 | D921-G1185 CarbonylContact O-C 3.59Å; D921-G1185 WeakPolarHBondContact O-CA 3.46Å; F1168-G1185 WeakPolarHBondContact CA-O 2.99Å; W1169-G1185 PolarHBondContact N-O 3.29Å; W1169-G1185 PolarHBondContact O-N 2.87Å |
| 1186 | E | 87 | Confident | 73.9 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 99 | -176.1 | -175.9 | -170.5 | 167 | 0 | 0 | 111.4 | D921 I923 R993 F1154 S1166 L1167 F1168 S1188 | D921-E1186 WeakPolarHBondContact CB-O 3.4Å; D921-E1186 PolarHBondContact O-N 2.8Å; I923-E1186 HydrophobicContact CD1-CB 3.66Å; R993-E1186 VanDerWaalsContact CD-O 3.28Å; R993-E1186 WeakPolarHBondContact CD-O 3.4Å; R993-E1186 PolarHBondContact NH1-O 2.93Å; F1154-E1186 WeakPolarHBondContact CD2-OE2 3.23Å; S1166-E1186 WeakPolarHBondContact CB-OE1 3.47Å; S1166-E1186 PolarHBondContact OG-OE1 3.04Å; L1167-E1186 WeakPolarHBondContact O-CA 3.32Å; F1168-E1186 HydrophobicContact CD1-CB 4.11Å; F1168-E1186 HydrophobicContact CD1-CG 3.96Å; F1168-E1186 HydrophobicContact CE1-CB 4.1Å; F1168-E1186 HydrophobicContact CE1-CG 3.6Å; F1168-E1186 HydrophobicContact CZ-CG 4.19Å; E1186-S1188 PolarHBondContact O-N 3.23Å |
| 1187 | T | 86.8 | Confident | 72.7 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.043 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 112.6 | 177.9 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | D921 A1041 S1166 L1167 W1169 | D921-T1187 VanDerWaalsContact OD2-CA 3.24Å; D921-T1187 WeakPolarHBondContact OD2-CA 3.22Å; D921-T1187 WeakPolarHBondContact OD2-CB 3.44Å; D921-T1187 WeakPolarHBondContact OD2-CG2 3.35Å; D921-T1187 PolarHBondContact OD2-OG1 3.01Å; A1041-T1187 HydrophobicContact CB-CG2 3.94Å; S1166-T1187 CarbonylContact C-O 3.59Å; S1166-T1187 WeakPolarHBondContact CA-O 3.37Å; L1167-T1187 PolarHBondContact N-O 3.31Å; L1167-T1187 PolarHBondContact O-N 2.83Å; W1169-T1187 PolarHBondContact NE1-OG1 3.32Å; W1169-T1187 VanDerWaalsContact NE1-OG1 3.12Å |
| 1188 | S | 82.9 | Confident | 70.7 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138.3 | -177.1 | -64.5 | 0 | 0 | 0 | 0 | 113.3 | R993 I1165 S1166 E1186 | R993-S1188 PolarHBondContact NH1-OG 2.95Å; I1165-S1188 CarbonylContact O-C 3.49Å; I1165-S1188 VanDerWaalsContact O-CA 3.31Å; I1165-S1188 WeakPolarHBondContact O-CA 3.37Å; S1166-S1188 PolarHBondContact OG-OG 3.12Å; S1166-S1188 VanDerWaalsContact OG-OG 3.11Å; E1186-S1188 PolarHBondContact O-N 3.23Å |
| 1189 | L | 82.1 | Confident | 68.8 | Low | 34 Ų | 34 | 54 Ų | 54 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.5 | 176.5 | -67.3 | 163.9 | 0 | 0 | 0 | 109.9 | A1041 I1043 L1065 V1164 I1165 | A1041-L1189 HydrophobicContact CB-CD1 3.64Å; A1041-L1189 HydrophobicContact CB-CG 4.4Å; A1041-L1189 WeakPolarHBondContact O-CD2 3.18Å; I1043-L1189 HydrophobicContact CB-CD1 4.18Å; L1065-L1189 HydrophobicContact CD2-CD1 3.9Å; V1164-L1189 WeakPolarHBondContact CA-O 3.38Å; I1165-L1189 PolarHBondContact N-O 2.79Å; I1165-L1189 PolarHBondContact O-N 2.79Å |
| 1190 | I | 76.4 | Confident | 66.8 | Low | 101 Ų | 101 | 59.1 Ų | 59.1 | 52% | 0.518 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 125.9 | 175 | -59.7 | 174.3 | 0 | 0 | 0 | 108.6 | K1162 V1164 | K1162-I1190 HydrophobicContact CB-CG2 3.83Å; K1162-I1190 HydrophobicContact CD-CG2 3.61Å; K1162-I1190 HydrophobicContact CG-CG2 4.36Å; V1164-I1190 HydrophobicContact CG2-CG1 3.97Å |
| 1191 | V | 71.5 | Confident | 64.7 | Low | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -88 | 125.1 | 176.3 | -173.2 | 0 | 0 | 0 | 0 | 109 | I1043 Y1045 P1163 I1165 A1193 | I1043-V1191 HydrophobicContact CD1-CG2 3.96Å; Y1045-V1191 HydrophobicContact CD1-CG1 4.48Å; Y1045-V1191 HydrophobicContact CE1-CG1 4.5Å; P1163-V1191 HydrophobicContact CB-CB 4.15Å; P1163-V1191 HydrophobicContact CB-CG2 4.35Å; P1163-V1191 HydrophobicContact CG-CB 4.15Å; P1163-V1191 PolarHBondContact O-N 3.39Å; I1165-V1191 HydrophobicContact CD1-CG2 3.9Å; I1165-V1191 HydrophobicContact CG1-CG2 3.75Å; V1191-A1193 PolarHBondContact O-N 2.97Å |
| 1192 | D | 63.4 | Low | 62.3 | Low | 82 Ų | 82 | 60.6 Ų | 60.6 | 44% | 0.439 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 133.1 | 172.9 | -102.8 | -24.1 | 0 | 0 | 0 | 110.6 | K1162 S1194 P1195 | K1162-D1192 IonicContact NZ-OD1 2.78Å; K1162-D1192 PolarHBondContact NZ-OD1 3.28Å; D1192-S1194 PolarHBondContact O-N 3.27Å; D1192-P1195 WeakPolarHBondContact O-CD 3.3Å |
| 1193 | A | 54.5 | Low | 59.7 | Low | 43 Ų | 43 | 66.9 Ų | 66.9 | 36% | 0.355 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -76.9 | 0 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1191 | V1191-A1193 PolarHBondContact O-N 2.97Š|
| 1194 | S | 53.2 | Low | 57.4 | Low | 88 Ų | 88 | 73.7 Ų | 73.7 | 62% | 0.615 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -28.2 | -177.2 | 59.1 | 0 | 0 | 0 | 0 | 117.3 | D1192 F1196 | D1192-S1194 PolarHBondContact O-N 3.27Å; S1194-F1196 VanDerWaalsContact C-N 3.34Å; S1194-F1196 PolarHBondContact O-N 3.18Å |
| 1195 | P | 50.7 | Low | 55 | Low | 38 Ų | 38 | 75.2 Ų | 75.2 | 25% | 0.247 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -4.8 | -175.2 | 34.5 | -36.1 | 0 | 0 | 0 | 114.2 | Y1045 L1061 D1192 G1197 | Y1045-P1195 HydrophobicContact CD2-CB 3.68Å; Y1045-P1195 HydrophobicContact CD2-CG 3.61Å; Y1045-P1195 HydrophobicContact CE2-CB 3.48Å; Y1045-P1195 VanDerWaalsContact CE2-CB 3.48Å; Y1045-P1195 HydrophobicContact CE2-CG 3.34Å; Y1045-P1195 HydrophobicContact CG-CG 4.4Å; L1061-P1195 HydrophobicContact CD1-CG 4.14Å; L1061-P1195 HydrophobicContact CD2-CB 4.01Å; L1061-P1195 HydrophobicContact CD2-CG 4.39Å; D1192-P1195 WeakPolarHBondContact O-CD 3.3Å; P1195-G1197 PolarHBondContact O-N 2.88Å |
| 1196 | F | 50.1 | Low | 52.2 | Low | 43 Ų | 43 | 80 Ų | 80 | 19% | 0.189 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -83.2 | 28.9 | 170.5 | -66.1 | -80.5 | 0 | 0 | 0 | 112.3 | L1061 S1194 | L1061-F1196 HydrophobicContact CD1-CD1 4.08Å; L1061-F1196 HydrophobicContact CD1-CD2 4.23Å; L1061-F1196 HydrophobicContact CD1-CE1 3.53Å; L1061-F1196 HydrophobicContact CD1-CE2 3.7Å; L1061-F1196 HydrophobicContact CD1-CG 4.41Å; L1061-F1196 HydrophobicContact CD1-CZ 3.32Å; S1194-F1196 VanDerWaalsContact C-N 3.34Å; S1194-F1196 PolarHBondContact O-N 3.18Å |
| 1197 | G | 44.7 | Very low | 49.7 | Very low | 59 Ų | 59 | 84.1 Ų | 84.1 | 61% | 0.608 | 55% | 0.547 | S | S | * | . | trans | -53.3 | 150.9 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | P1195 | P1195-G1197 PolarHBondContact O-N 2.88Š| ||
| 1198 | G | 33.4 | Very low | 47.4 | Very low | 68 Ų | 68 | 91.4 Ų | 91.4 | 70% | 0.701 | 59% | 0.586 | S | S | * | * | trans | -58.1 | 152 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1200 | G1198-L1200 PolarHBondContact O-N 2.83Å; G1198-L1200 VanDerWaalsContact O-N 3.16Å | ||
| 1199 | S | 32.1 | Very low | 45.5 | Very low | 122 Ų | 122 | 95.4 Ų | 95.4 | 85% | 0.853 | 61% | 0.612 | S | S | * | * | trans | -24.4 | 107.7 | 166.9 | 173.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1200 | L | 34.6 | Very low | 44.2 | Very low | 174 Ų | 174 | 97.4 Ų | 97.4 | 91% | 0.911 | 62% | 0.623 | S | S | * | * | trans | -111.1 | 104.9 | 160.6 | -82.1 | 164.6 | 0 | 0 | 0 | 108.7 | G1198 | G1198-L1200 PolarHBondContact O-N 2.83Å; G1198-L1200 VanDerWaalsContact O-N 3.16Å | ||
| 1201 | S | 29.2 | Very low | 43.7 | Very low | 107 Ų | 107 | 94.4 Ų | 94.4 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | trans | -71.6 | 140.4 | 172.1 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1202 | G | 31 | Very low | 44.1 | Very low | 71 Ų | 71 | 94 Ų | 94 | 73% | 0.732 | 61% | 0.606 | S | S | * | * | trans | 91.6 | 99.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1203 | K | 30.1 | Very low | 44.8 | Very low | 206 Ų | 206 | 94.6 Ų | 94.6 | 90% | 0.896 | 61% | 0.61 | S | S | * | * | -179.7 | 113.4 | 122.7 | -98.4 | 174.5 | -178.6 | -174.9 | 0 | 109.2 | |||||
| 1204 | D | 37 | Very low | 46.3 | Very low | 163 Ų | 163 | 95 Ų | 95 | 87% | 0.872 | 60% | 0.603 | S | S | * | * | trans | -62 | 146.2 | 159.1 | -76 | -42.3 | 0 | 0 | 0 | 109.8 | ||||
| 1205 | P | 37.2 | Very low | 47.5 | Very low | 118 Ų | 118 | 93 Ų | 93 | 77% | 0.766 | 59% | 0.591 | S | S | * | * | trans | -131.6 | 100.6 | 138.6 | 31.8 | -16.2 | 0 | 0 | 0 | 109.9 | ||||
| 1206 | A | 28.9 | Very low | 49 | Very low | 99 Ų | 99 | 92.1 Ų | 92.1 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | trans | -77 | 110.9 | 147 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1207 | S | 34.3 | Very low | 50.4 | Low | 101 Ų | 101 | 93.8 Ų | 93.8 | 71% | 0.706 | 60% | 0.595 | S | S | * | * | trans | -172.1 | 123.1 | 153.1 | 56.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1208 | D | 38 | Very low | 52.3 | Low | 160 Ų | 160 | 94 Ų | 94 | 86% | 0.856 | 58% | 0.578 | S | S | * | * | trans | 61.2 | 117.8 | 157.5 | -71.3 | -22.9 | 0 | 0 | 0 | 121.3 | D1210 | D1208-D1210 PolarHBondContact O-N 3.14Š| ||
| 1209 | C | 43.9 | Very low | 54.4 | Low | 115 Ų | 115 | 93.7 Ų | 93.7 | 78% | 0.777 | 57% | 0.565 | S | S | * | * | trans | -50.2 | 115.8 | 169.1 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | V1211 | C1209-V1211 VanDerWaalsContact C-N 3.32Å; C1209-V1211 WeakPolarHBondContact O-CG2 3.22Å; C1209-V1211 PolarHBondContact O-N 2.87Å | ||
| 1210 | D | 53.6 | Low | 56.2 | Low | 76 Ų | 76 | 92 Ų | 92 | 41% | 0.406 | 55% | 0.551 | S | S | . | * | trans | -61.7 | 96.5 | 160.6 | -96.9 | -35.2 | 0 | 0 | 0 | 108.9 | D1208 I1212 Y1323 | D1208-D1210 PolarHBondContact O-N 3.14Å; D1210-I1212 PolarHBondContact O-N 3.01Å; D1210-I1212 VanDerWaalsContact O-N 3.08Å; D1210-Y1323 WeakPolarHBondContact OD1-CE2 3.29Å; D1210-Y1323 VanDerWaalsContact OD1-CZ 3.29Å; D1210-Y1323 PolarHBondContact OD1-OH 2.64Å | ||
| 1211 | V | 67.1 | Low | 58.1 | Low | 38 Ų | 38 | 86.8 Ų | 86.8 | 23% | 0.23 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -61.8 | -13.6 | 177.5 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | C1209 G1243 R1316 | C1209-V1211 VanDerWaalsContact C-N 3.32Å; C1209-V1211 WeakPolarHBondContact O-CG2 3.22Å; C1209-V1211 PolarHBondContact O-N 2.87Å; V1211-G1243 VanDerWaalsContact O-CA 3.27Å; V1211-G1243 WeakPolarHBondContact O-CA 3.46Å; V1211-G1243 PolarHBondContact O-N 2.81Å; V1211-R1316 VanDerWaalsContact CB-NH2 3.29Å; V1211-R1316 VanDerWaalsContact CG2-NH1 3.27Å |
| 1212 | I | 79.1 | Confident | 60.4 | Low | 2 Ų | 2 | 83.1 Ų | 83.1 | 1% | 0.01 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.6 | 174.1 | -55.3 | -51.6 | 0 | 0 | 0 | 110.3 | D1210 Y1241 N1242 A1249 I1251 V1314 L1325 | D1210-I1212 PolarHBondContact O-N 3.01Å; D1210-I1212 VanDerWaalsContact O-N 3.08Å; I1212-Y1241 CarbonylContact C-O 3.6Å; I1212-Y1241 WeakPolarHBondContact CA-O 3.12Å; I1212-N1242 HydrophobicContact CD1-CB 3.74Å; I1212-N1242 WeakPolarHBondContact CD1-OD1 3.44Å; I1212-A1249 HydrophobicContact CD1-CB 3.73Å; I1212-A1249 HydrophobicContact CG1-CB 4.4Å; I1212-I1251 HydrophobicContact CD1-CD1 4.34Å; I1212-I1251 HydrophobicContact CG1-CD1 4.37Å; I1212-I1251 HydrophobicContact CG2-CD1 3.61Å; I1212-V1314 HydrophobicContact CB-CG2 4.33Å; I1212-V1314 HydrophobicContact CG1-CG1 3.71Å; I1212-V1314 HydrophobicContact CG1-CG2 4.11Å; I1212-V1314 HydrophobicContact CG2-CG2 4.38Å; I1212-L1325 HydrophobicContact CB-CD1 4.41Å |
| 1213 | N | 77.9 | Confident | 62.7 | Low | 95 Ų | 95 | 83.1 Ų | 83.1 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 150.9 | 172.1 | -71.2 | -49.8 | 0 | 0 | 0 | 110.9 | Y1241 | N1213-Y1241 HydrophobicContact CB-CD1 4.42Å; N1213-Y1241 PolarHBondContact N-O 3.26Å; N1213-Y1241 PolarHBondContact O-N 2.74Å |
| 1214 | Y | 85.3 | Confident | 65.1 | Low | 53 Ų | 53 | 74.8 Ų | 74.8 | 21% | 0.208 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 152.4 | 173.5 | 76.3 | -80.1 | 0 | 0 | 0 | 111.9 | L1216 L1238 K1239 L1325 L1327 Q1328 | Y1214-L1216 HydrophobicContact CD2-CD1 3.93Å; Y1214-L1216 HydrophobicContact CE2-CD1 3.96Å; Y1214-L1238 HydrophobicContact CD2-CD1 4.22Å; Y1214-K1239 CarbonylContact C-O 3.6Å; Y1214-K1239 WeakPolarHBondContact CA-O 3.33Å; Y1214-L1325 HydrophobicContact CD1-CD2 3.32Å; Y1214-L1325 HydrophobicContact CD1-CG 4.14Å; Y1214-L1325 HydrophobicContact CE1-CD2 4.07Å; Y1214-L1325 HydrophobicContact CE1-CG 4.49Å; Y1214-L1325 HydrophobicContact CG-CD2 3.87Å; Y1214-L1327 HydrophobicContact CD1-CD2 4.34Å; Y1214-L1327 HydrophobicContact CD2-CD2 3.9Å; Y1214-L1327 HydrophobicContact CE1-CD2 4.01Å; Y1214-L1327 HydrophobicContact CE2-CD2 3.56Å; Y1214-L1327 HydrophobicContact CG-CD2 4.28Å; Y1214-L1327 WeakPolarHBondContact OH-CA 3.36Å; Y1214-Q1328 PolarHBondContact OH-N 2.82Å |
| 1215 | A | 79.6 | Confident | 67.2 | Low | 45 Ų | 45 | 69.5 Ų | 69.5 | 37% | 0.372 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 132.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | K1239 | A1215-K1239 HydrophobicContact CB-CB 4.38Å; A1215-K1239 PolarHBondContact N-O 2.8Å; A1215-K1239 PolarHBondContact O-N 3.2Å |
| 1216 | L | 81.5 | Confident | 69.3 | Low | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.099 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.7 | 171.5 | -99.5 | 108.4 | 0 | 0 | 0 | 108.6 | Y1214 Y1218 V1236 E1237 L1238 L1306 L1310 H1330 | Y1214-L1216 HydrophobicContact CD2-CD1 3.93Å; Y1214-L1216 HydrophobicContact CE2-CD1 3.96Å; L1216-Y1218 HydrophobicContact CB-CD1 4.26Å; L1216-Y1218 HydrophobicContact CB-CE1 4.44Å; L1216-V1236 HydrophobicContact CD2-CG1 3.44Å; L1216-V1236 VanDerWaalsContact CD2-CG1 3.44Å; L1216-V1236 HydrophobicContact CG-CG1 4.18Å; L1216-E1237 CarbonylContact C-O 3.55Å; L1216-E1237 WeakPolarHBondContact CA-O 3.03Å; L1216-L1238 HydrophobicContact CD1-CD1 3.93Å; L1216-L1238 HydrophobicContact CG-CD1 4.24Å; L1216-L1306 HydrophobicContact CD2-CB 4.28Å; L1216-L1306 HydrophobicContact CD2-CD1 4.46Å; L1216-L1310 HydrophobicContact CD1-CD2 4.1Å; L1216-L1310 HydrophobicContact CD2-CD2 4.36Å; L1216-H1330 WeakPolarHBondContact CB-CD2 3.32Å |
| 1217 | L | 81.1 | Confident | 71.5 | Confident | 79 Ų | 79 | 64.2 Ų | 64.2 | 41% | 0.414 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.5 | 174.5 | -57.9 | 167.4 | 0 | 0 | 0 | 108.8 | V1236 E1237 K1239 | L1217-V1236 WeakPolarHBondContact O-CA 3.17Å; L1217-E1237 HydrophobicContact CB-CB 4.16Å; L1217-E1237 HydrophobicContact CD1-CB 4.48Å; L1217-E1237 PolarHBondContact N-O 3.41Å; L1217-E1237 PolarHBondContact O-N 2.65Å; L1217-K1239 HydrophobicContact CD1-CD 3.74Å; L1217-K1239 VanDerWaalsContact CD1-CE 3.49Å; L1217-K1239 HydrophobicContact CD1-CG 4.2Å |
| 1218 | Y | 84.4 | Confident | 73.7 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 25% | 0.251 | 38% | 0.38 | S | S | . | . | trans | -158.2 | 158.7 | -179.4 | 61.7 | -83.4 | 0 | 0 | 0 | 110 | L1216 L1306 H1330 F1331 I1332 | L1216-Y1218 HydrophobicContact CB-CD1 4.26Å; L1216-Y1218 HydrophobicContact CB-CE1 4.44Å; Y1218-L1306 HydrophobicContact CD1-CD1 3.68Å; Y1218-L1306 HydrophobicContact CD2-CD1 3.61Å; Y1218-L1306 HydrophobicContact CE1-CD1 4.1Å; Y1218-L1306 HydrophobicContact CE2-CD1 4.02Å; Y1218-L1306 HydrophobicContact CG-CD1 3.42Å; Y1218-L1306 VanDerWaalsContact CG-CD1 3.42Å; Y1218-H1330 HydrophobicContact CE1-CB 3.74Å; Y1218-H1330 AromaticContact CE1-CD2 3.54Å; Y1218-H1330 AromaticContact CE1-CG 3.82Å; Y1218-H1330 WeakPolarHBondContact OH-CA 3.46Å; Y1218-H1330 WeakPolarHBondContact OH-CB 3.49Å; Y1218-F1331 WeakPolarHBondContact CE2-O 3.31Å; Y1218-F1331 PolarHBondContact OH-N 2.92Å; Y1218-F1331 PolarHBondContact OH-O 3.15Å; Y1218-I1332 HydrophobicContact CD2-CB 4.27Å; Y1218-I1332 HydrophobicContact CE2-CB 4.29Å | ||
| 1219 | S | 77.6 | Confident | 75.9 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 43% | 0.427 | 36% | 0.358 | S | S | . | . | trans | -74.6 | 125.3 | 172 | -63 | 0 | 0 | 0 | 0 | 109.9 | S1221 I1332 | S1219-S1221 PolarHBondContact O-N 3.31Å; S1219-I1332 WeakPolarHBondContact O-CD1 3.49Å; S1219-I1332 VanDerWaalsContact O-CG1 3.25Å; S1219-I1332 WeakPolarHBondContact O-CG1 3.44Å | ||
| 1220 | P | 69.4 | Low | 77.8 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 56% | 0.558 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -69.7 | -19.2 | -176.6 | 26.4 | -33.7 | 0 | 0 | 0 | 113.7 | I1332 T1333 | P1220-I1332 WeakPolarHBondContact O-CA 3.26Å; P1220-T1333 PolarHBondContact O-N 2.92Å |
| 1221 | S | 73.5 | Confident | 79.3 | Confident | 64 Ų | 64 | 63.4 Ų | 63.4 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138.8 | 173 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | S1219 T1333 | S1219-S1221 PolarHBondContact O-N 3.31Å; S1221-T1333 CarbonylContact C-O 3.6Å; S1221-T1333 VanDerWaalsContact CA-O 3.26Å; S1221-T1333 WeakPolarHBondContact CA-O 3.46Å |
| 1222 | I | 78.9 | Confident | 80.2 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.2 | 172.9 | -71.2 | 175 | 0 | 0 | 0 | 108.8 | H1224 I1234 I1332 T1333 I1334 H1335 | I1222-H1224 HydrophobicContact CG2-CB 4.4Å; I1222-I1234 HydrophobicContact CD1-CB 4.16Å; I1222-I1234 HydrophobicContact CD1-CG1 4Å; I1222-I1234 HydrophobicContact CD1-CG2 3.88Å; I1222-I1332 HydrophobicContact CD1-CD1 3.67Å; I1222-I1332 HydrophobicContact CG1-CD1 4.01Å; I1222-T1333 PolarHBondContact N-O 3.01Å; I1222-I1334 CarbonylContact O-C 3.58Å; I1222-I1334 VanDerWaalsContact O-CA 3.31Å; I1222-I1334 WeakPolarHBondContact O-CA 3.39Å; I1222-H1335 PolarHBondContact O-N 3.11Å |
| 1223 | S | 78.6 | Confident | 80.6 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 50% | 0.497 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.4 | 168.3 | -57.3 | 0 | 0 | 0 | 0 | 109 | H1335 L1337 | S1223-H1335 CarbonylContact C-O 3.53Å; S1223-H1335 WeakPolarHBondContact CA-O 3.27Å; S1223-L1337 WeakPolarHBondContact O-CD1 3.33Å |
| 1224 | H | 79.9 | Confident | 81 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 15% | 0.148 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 133 | -172.6 | -175.2 | 76.1 | 0 | 0 | 0 | 111.7 | I1222 F1226 S1229 I1231 C1232 I1334 H1335 S1336 L1337 | I1222-H1224 HydrophobicContact CG2-CB 4.4Å; H1224-F1226 HydrophobicContact CB-CE2 4.4Å; H1224-F1226 AromaticContact CD2-CD1 3.67Å; H1224-F1226 AromaticContact CD2-CE1 3.75Å; H1224-F1226 AromaticContact CD2-CG 3.87Å; H1224-F1226 PolarHBondContact O-N 2.96Å; H1224-S1229 PolarHBondContact NE2-O 2.81Å; H1224-I1231 PolarHBondContact CE1-O 2.9Å; H1224-I1231 PolarHBondContact NE2-O 3.43Å; H1224-C1232 HydrophobicContact CB-CB 3.91Å; H1224-C1232 VanDerWaalsContact CB-SG 3.6Å; H1224-C1232 VanDerWaalsContact CG-CB 3.49Å; H1224-I1334 HydrophobicContact CB-CG2 4.32Å; H1224-H1335 PolarHBondContact N-O 2.84Å; H1224-S1336 CarbonylContact O-C 3.59Å; H1224-S1336 WeakPolarHBondContact O-CA 3.39Å; H1224-L1337 PolarHBondContact O-N 2.85Å |
| 1225 | D | 82.5 | Confident | 81.1 | Confident | 51 Ų | 51 | 67.2 Ų | 67.2 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | trans | -86 | 95.5 | 175.5 | -174.7 | -4.9 | 0 | 0 | 0 | 109.9 | S1227 A1228 S1229 L1337 | D1225-S1227 PolarHBondContact O-N 3.12Å; D1225-S1227 WeakPolarHBondContact OD1-CA 3.39Å; D1225-S1227 VanDerWaalsContact OD1-CB 3.25Å; D1225-S1227 WeakPolarHBondContact OD1-CB 3.37Å; D1225-S1227 PolarHBondContact OD1-N 3.44Å; D1225-S1227 PolarHBondContact OD1-OG 2.9Å; D1225-S1227 PolarHBondContact OD2-OG 3.29Å; D1225-A1228 HydrophobicContact CB-CB 3.98Å; D1225-A1228 PolarHBondContact O-N 3.26Å; D1225-A1228 VanDerWaalsContact O-N 3.15Å; D1225-A1228 PolarHBondContact OD1-N 2.9Å; D1225-A1228 WeakPolarHBondContact OD2-CB 3.38Å; D1225-S1229 PolarHBondContact O-N 3.43Å; D1225-L1337 HydrophobicContact CB-CB 3.85Å | ||
| 1226 | F | 80.4 | Confident | 81.4 | Confident | 26 Ų | 26 | 65.2 Ų | 65.2 | 11% | 0.114 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17.3 | 177.6 | -69.9 | -77.8 | 0 | 0 | 0 | 113.3 | H1224 S1229 C1232 D1300 T1301 I1334 | H1224-F1226 HydrophobicContact CB-CE2 4.4Å; H1224-F1226 AromaticContact CD2-CD1 3.67Å; H1224-F1226 AromaticContact CD2-CE1 3.75Å; H1224-F1226 AromaticContact CD2-CG 3.87Å; H1224-F1226 PolarHBondContact O-N 2.96Å; F1226-S1229 WeakPolarHBondContact CA-O 3.26Å; F1226-S1229 CarbonylContact O-C 3.55Å; F1226-C1232 HydrophobicContact CE1-CB 4.06Å; F1226-C1232 HydrophobicContact CZ-CB 4.17Å; F1226-D1300 WeakPolarHBondContact CZ-O 3.38Å; F1226-T1301 HydrophobicContact CD2-CG2 4.33Å; F1226-T1301 HydrophobicContact CE2-CG2 3.78Å; F1226-I1334 HydrophobicContact CE2-CG2 3.96Å; F1226-I1334 HydrophobicContact CZ-CG2 3.68Å |
| 1227 | S | 75.6 | Confident | 81.5 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 57% | 0.566 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -37.6 | 173.2 | 80.7 | 0 | 0 | 0 | 0 | 112.1 | D1225 | D1225-S1227 PolarHBondContact O-N 3.12Å; D1225-S1227 WeakPolarHBondContact OD1-CA 3.39Å; D1225-S1227 VanDerWaalsContact OD1-CB 3.25Å; D1225-S1227 WeakPolarHBondContact OD1-CB 3.37Å; D1225-S1227 PolarHBondContact OD1-N 3.44Å; D1225-S1227 PolarHBondContact OD1-OG 2.9Å; D1225-S1227 PolarHBondContact OD2-OG 3.29Å |
| 1228 | A | 80.6 | Confident | 81.8 | Confident | 81 Ų | 81 | 64.1 Ų | 64.1 | 67% | 0.669 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -36.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | D1225 | D1225-A1228 HydrophobicContact CB-CB 3.98Å; D1225-A1228 PolarHBondContact O-N 3.26Å; D1225-A1228 VanDerWaalsContact O-N 3.15Å; D1225-A1228 PolarHBondContact OD1-N 2.9Å; D1225-A1228 WeakPolarHBondContact OD2-CB 3.38Å |
| 1229 | S | 83.2 | Confident | 81.7 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | trans | -143.7 | 121.2 | 174 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | H1224 D1225 F1226 I1231 | H1224-S1229 PolarHBondContact NE2-O 2.81Å; D1225-S1229 PolarHBondContact O-N 3.43Å; F1226-S1229 WeakPolarHBondContact CA-O 3.26Å; F1226-S1229 CarbonylContact O-C 3.55Å; S1229-I1231 PolarHBondContact O-N 2.79Å; S1229-I1231 PolarHBondContact OG-O 3.16Å | ||
| 1230 | R | 84 | Confident | 82.1 | Confident | 218 Ų | 218 | 61.6 Ų | 61.6 | 82% | 0.823 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -62.9 | -13.9 | -179.8 | -67.5 | -169.6 | -178.8 | -169.6 | 0.1 | 114.9 | ||
| 1231 | I | 85 | Confident | 82.8 | Confident | 80 Ų | 80 | 61.9 Ų | 61.9 | 41% | 0.41 | 32% | 0.322 | S | S | . | . | trans | -122.3 | 122.3 | -177.6 | -62.3 | 166.3 | 0 | 0 | 0 | 108.7 | H1224 S1229 R1233 A1297 A1298 T1299 | H1224-I1231 PolarHBondContact CE1-O 2.9Å; H1224-I1231 PolarHBondContact NE2-O 3.43Å; S1229-I1231 PolarHBondContact O-N 2.79Å; S1229-I1231 PolarHBondContact OG-O 3.16Å; I1231-R1233 HydrophobicContact CG2-CG 4.39Å; I1231-A1297 HydrophobicContact CG2-CB 3.81Å; I1231-A1298 WeakPolarHBondContact CA-O 3.25Å; I1231-T1299 HydrophobicContact CG1-CG2 4.33Å | ||
| 1232 | C | 85.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 121.4 | 166.9 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | H1224 F1226 A1297 A1298 I1334 | H1224-C1232 HydrophobicContact CB-CB 3.91Å; H1224-C1232 VanDerWaalsContact CB-SG 3.6Å; H1224-C1232 VanDerWaalsContact CG-CB 3.49Å; F1226-C1232 HydrophobicContact CE1-CB 4.06Å; F1226-C1232 HydrophobicContact CZ-CB 4.17Å; C1232-A1297 VanDerWaalsContact O-CA 3.32Å; C1232-A1297 WeakPolarHBondContact O-CA 3.43Å; C1232-A1298 HydrophobicContact CB-CB 4.44Å; C1232-A1298 PolarHBondContact N-O 2.92Å; C1232-A1298 PolarHBondContact O-N 3Å; C1232-I1334 HydrophobicContact CB-CG2 4.34Å |
| 1233 | R | 88 | Confident | 83.1 | Confident | 186 Ų | 186 | 59 Ų | 59 | 70% | 0.702 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.6 | 176.7 | -70.1 | -179.3 | 176.8 | 160.1 | -0.5 | 109.8 | I1231 I1295 | I1231-R1233 HydrophobicContact CG2-CG 4.39Å; R1233-I1295 HydrophobicContact CB-CG2 4.04Å; R1233-I1295 HydrophobicContact CG-CG2 4.27Å |
| 1234 | I | 87 | Confident | 82.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 104.4 | -175.8 | -51 | 168.3 | 0 | 0 | 0 | 107.1 | I1222 V1236 I1295 A1296 A1298 I1332 I1334 | I1222-I1234 HydrophobicContact CD1-CB 4.16Å; I1222-I1234 HydrophobicContact CD1-CG1 4Å; I1222-I1234 HydrophobicContact CD1-CG2 3.88Å; I1234-V1236 HydrophobicContact CG2-CG2 4.14Å; I1234-V1236 PolarHBondContact O-N 2.95Å; I1234-I1295 WeakPolarHBondContact O-CA 3.36Å; I1234-A1296 HydrophobicContact CB-CB 3.87Å; I1234-A1296 WeakPolarHBondContact CB-O 3.25Å; I1234-A1296 HydrophobicContact CD1-CB 4.14Å; I1234-A1296 HydrophobicContact CG1-CB 4.48Å; I1234-A1296 HydrophobicContact CG2-CB 4.39Å; I1234-A1296 PolarHBondContact N-O 2.82Å; I1234-A1296 PolarHBondContact O-N 2.8Å; I1234-A1298 HydrophobicContact CD1-CB 4.44Å; I1234-I1332 HydrophobicContact CB-CD1 4.37Å; I1234-I1332 HydrophobicContact CD1-CD1 4.06Å; I1234-I1332 HydrophobicContact CD1-CG2 4.1Å; I1234-I1332 HydrophobicContact CG1-CD1 4.19Å; I1234-I1332 HydrophobicContact CG2-CD1 3.34Å; I1234-I1334 HydrophobicContact CD1-CD1 3.76Å; I1234-I1334 HydrophobicContact CD1-CG1 4.34Å |
| 1235 | P | 87.4 | Confident | 82.4 | Confident | 83 Ų | 83 | 61.7 Ų | 61.7 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 129.8 | 174 | 27.9 | -31.5 | 0 | 0 | 0 | 109.8 | ||
| 1236 | V | 86 | Confident | 82.1 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.6 | 180 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | L1216 L1217 I1234 W1274 L1294 A1296 L1306 | L1216-V1236 HydrophobicContact CD2-CG1 3.44Å; L1216-V1236 VanDerWaalsContact CD2-CG1 3.44Å; L1216-V1236 HydrophobicContact CG-CG1 4.18Å; L1217-V1236 WeakPolarHBondContact O-CA 3.17Å; I1234-V1236 HydrophobicContact CG2-CG2 4.14Å; I1234-V1236 PolarHBondContact O-N 2.95Å; V1236-W1274 HydrophobicContact CB-CH2 4.34Å; V1236-W1274 HydrophobicContact CB-CZ3 4.17Å; V1236-W1274 HydrophobicContact CG1-CH2 4.19Å; V1236-W1274 HydrophobicContact CG1-CZ3 4.47Å; V1236-W1274 HydrophobicContact CG2-CH2 4.25Å; V1236-W1274 HydrophobicContact CG2-CZ3 4.17Å; V1236-L1294 HydrophobicContact CB-CB 4.27Å; V1236-L1294 PolarHBondContact N-O 2.73Å; V1236-L1294 PolarHBondContact O-N 2.88Å; V1236-A1296 HydrophobicContact CG2-CB 4.26Å; V1236-L1306 HydrophobicContact CG2-CD1 3.91Å; V1236-L1306 HydrophobicContact CG2-CD2 4.16Å |
| 1237 | E | 83.8 | Confident | 82.1 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.2 | 173.3 | -47.1 | -172 | 150.5 | 0 | 0 | 109.9 | L1216 L1217 T1291 H1293 | L1216-E1237 CarbonylContact C-O 3.55Å; L1216-E1237 WeakPolarHBondContact CA-O 3.03Å; L1217-E1237 HydrophobicContact CB-CB 4.16Å; L1217-E1237 HydrophobicContact CD1-CB 4.48Å; L1217-E1237 PolarHBondContact N-O 3.41Å; L1217-E1237 PolarHBondContact O-N 2.65Å; E1237-T1291 HydrophobicContact CB-CG2 4.02Å; E1237-H1293 IonicContact OE1-CE1 3.35Å; E1237-H1293 PolarHBondContact OE1-CE1 2.85Å; E1237-H1293 VanDerWaalsContact OE1-CE1 3.25Å; E1237-H1293 IonicContact OE1-ND1 3.43Å |
| 1238 | L | 86.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 104.2 | 172.6 | 174 | 66.3 | 0 | 0 | 0 | 108.9 | Y1214 L1216 L1240 V1253 T1291 V1292 L1294 I1312 | Y1214-L1238 HydrophobicContact CD2-CD1 4.22Å; L1216-L1238 HydrophobicContact CD1-CD1 3.93Å; L1216-L1238 HydrophobicContact CG-CD1 4.24Å; L1238-L1240 HydrophobicContact CD1-CD2 4.21Å; L1238-L1240 HydrophobicContact CD2-CD1 4.5Å; L1238-L1240 HydrophobicContact CD2-CD2 4.26Å; L1238-L1240 HydrophobicContact CD2-CG 4.43Å; L1238-L1240 HydrophobicContact CG-CD2 4.11Å; L1238-L1240 HydrophobicContact CG-CG 4.16Å; L1238-V1253 HydrophobicContact CD2-CB 4.44Å; L1238-V1253 HydrophobicContact CD2-CG1 3.79Å; L1238-V1253 HydrophobicContact CD2-CG2 3.73Å; L1238-T1291 CarbonylContact O-C 3.58Å; L1238-T1291 WeakPolarHBondContact O-CA 3.29Å; L1238-V1292 HydrophobicContact CB-CB 4.33Å; L1238-V1292 PolarHBondContact N-O 3.17Å; L1238-V1292 PolarHBondContact O-N 3.14Å; L1238-L1294 HydrophobicContact CB-CD1 4.17Å; L1238-L1294 HydrophobicContact CD2-CD1 4.38Å; L1238-I1312 HydrophobicContact CD1-CD1 3.9Å; L1238-I1312 HydrophobicContact CD2-CD1 3.63Å; L1238-I1312 HydrophobicContact CD2-CG1 4.27Å; L1238-I1312 HydrophobicContact CG-CD1 4.36Å |
| 1239 | K | 82.5 | Confident | 82.6 | Confident | 73 Ų | 73 | 61 Ų | 61 | 32% | 0.317 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.6 | 171 | -66.3 | -170.5 | 166.7 | -164.2 | 0 | 109.7 | Y1214 A1215 L1217 E1289 T1291 | Y1214-K1239 CarbonylContact C-O 3.6Å; Y1214-K1239 WeakPolarHBondContact CA-O 3.33Å; A1215-K1239 HydrophobicContact CB-CB 4.38Å; A1215-K1239 PolarHBondContact N-O 2.8Å; A1215-K1239 PolarHBondContact O-N 3.2Å; L1217-K1239 HydrophobicContact CD1-CD 3.74Å; L1217-K1239 VanDerWaalsContact CD1-CE 3.49Å; L1217-K1239 HydrophobicContact CD1-CG 4.2Å; K1239-E1289 WeakPolarHBondContact CD-OE1 3.31Å; K1239-E1289 IonicContact NZ-OE1 3.55Å; K1239-T1291 HydrophobicContact CG-CG2 4.27Å |
| 1240 | L | 86.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.9 | 178.8 | -63.4 | 169.5 | 0 | 0 | 0 | 108.5 | L1238 I1251 V1253 L1284 E1289 A1290 V1292 I1312 | L1238-L1240 HydrophobicContact CD1-CD2 4.21Å; L1238-L1240 HydrophobicContact CD2-CD1 4.5Å; L1238-L1240 HydrophobicContact CD2-CD2 4.26Å; L1238-L1240 HydrophobicContact CD2-CG 4.43Å; L1238-L1240 HydrophobicContact CG-CD2 4.11Å; L1238-L1240 HydrophobicContact CG-CG 4.16Å; L1240-I1251 HydrophobicContact CB-CD1 4.24Å; L1240-I1251 HydrophobicContact CD1-CB 4.38Å; L1240-I1251 HydrophobicContact CD1-CD1 4.15Å; L1240-I1251 HydrophobicContact CD1-CG2 3.89Å; L1240-V1253 HydrophobicContact CD1-CG2 4.02Å; L1240-L1284 HydrophobicContact CB-CD1 3.89Å; L1240-E1289 CarbonylContact O-C 3.56Å; L1240-E1289 VanDerWaalsContact O-CA 3.29Å; L1240-E1289 WeakPolarHBondContact O-CA 3.49Å; L1240-A1290 PolarHBondContact N-O 3.35Å; L1240-A1290 PolarHBondContact O-N 3.11Å; L1240-V1292 HydrophobicContact CD1-CG2 4.19Å; L1240-I1312 HydrophobicContact CD2-CD1 4.23Å; L1240-I1312 HydrophobicContact CD2-CG2 4.48Å |
| 1241 | Y | 82.8 | Confident | 83 | Confident | 92 Ų | 92 | 54.6 Ų | 54.6 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.6 | 179.4 | 176.2 | -102.2 | 0 | 0 | 0 | 110.3 | I1212 N1213 G1243 E1289 | I1212-Y1241 CarbonylContact C-O 3.6Å; I1212-Y1241 WeakPolarHBondContact CA-O 3.12Å; N1213-Y1241 HydrophobicContact CB-CD1 4.42Å; N1213-Y1241 PolarHBondContact N-O 3.26Å; N1213-Y1241 PolarHBondContact O-N 2.74Å; Y1241-G1243 PolarHBondContact O-N 2.84Å; Y1241-E1289 HydrophobicContact CD2-CB 4.36Å |
| 1242 | N | 84.7 | Confident | 83.2 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 100.1 | 173.4 | -177.2 | 7.2 | 0 | 0 | 0 | 110 | I1212 S1244 E1247 L1284 E1285 K1287 G1288 | I1212-N1242 HydrophobicContact CD1-CB 3.74Å; I1212-N1242 WeakPolarHBondContact CD1-OD1 3.44Å; N1242-S1244 PolarHBondContact O-N 2.73Å; N1242-S1244 WeakPolarHBondContact OD1-CB 3.16Å; N1242-S1244 PolarHBondContact OD1-N 3.22Å; N1242-E1247 PolarHBondContact ND2-O 3.25Å; N1242-L1284 HydrophobicContact CB-CB 3.75Å; N1242-L1284 HydrophobicContact CB-CD1 4.11Å; N1242-L1284 PolarHBondContact ND2-O 2.94Å; N1242-E1285 PolarHBondContact ND2-O 2.84Å; N1242-K1287 WeakPolarHBondContact O-CA 3.22Å; N1242-K1287 PolarHBondContact O-N 2.93Å; N1242-G1288 PolarHBondContact N-O 3.45Å |
| 1243 | G | 74.6 | Confident | 83.2 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | trans | -74.2 | 7.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1211 Y1241 | V1211-G1243 VanDerWaalsContact O-CA 3.27Å; V1211-G1243 WeakPolarHBondContact O-CA 3.46Å; V1211-G1243 PolarHBondContact O-N 2.81Å; Y1241-G1243 PolarHBondContact O-N 2.84Å | ||
| 1244 | S | 72 | Confident | 83 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | trans | -72.8 | 140.6 | 178.9 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | N1242 S1246 E1247 P1286 K1287 | N1242-S1244 PolarHBondContact O-N 2.73Å; N1242-S1244 WeakPolarHBondContact OD1-CB 3.16Å; N1242-S1244 PolarHBondContact OD1-N 3.22Å; S1244-S1246 PolarHBondContact OG-N 2.8Å; S1244-E1247 WeakPolarHBondContact OG-CB 3.36Å; S1244-E1247 PolarHBondContact OG-N 2.98Å; S1244-P1286 CarbonylContact O-C 3.58Å; S1244-P1286 WeakPolarHBondContact O-CA 3.31Å; S1244-P1286 VanDerWaalsContact O-CB 3.29Å; S1244-P1286 WeakPolarHBondContact O-CB 3.42Å; S1244-K1287 PolarHBondContact O-N 3.38Å | ||
| 1245 | E | 72.1 | Confident | 82.8 | Confident | 152 Ų | 152 | 47.9 Ų | 47.9 | 71% | 0.71 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -83.9 | -17.7 | 175.6 | -60 | -143.9 | 122.5 | 0 | 0 | 113 | K1287 | E1245-K1287 WeakPolarHBondContact OE1-CE 3.42Å; E1245-K1287 IonicContact OE1-NZ 3.53Å; E1245-K1287 PolarHBondContact OE1-NZ 3.08Å |
| 1246 | S | 76.5 | Confident | 82.1 | Confident | 101 Ų | 101 | 47.4 Ų | 47.4 | 71% | 0.706 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -143.8 | -9.8 | -172.6 | 57.8 | 0 | 0 | 0 | 0 | 116.1 | S1244 P1286 | S1244-S1246 PolarHBondContact OG-N 2.8Å; S1246-P1286 VanDerWaalsContact C-CG 3.43Å |
| 1247 | E | 79.5 | Confident | 80.9 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | trans | -110.5 | 130.8 | -174.3 | -57.2 | 174.3 | 175.8 | 0 | 0 | 113.1 | N1242 S1244 R1316 Y1319 | N1242-E1247 PolarHBondContact ND2-O 3.25Å; S1244-E1247 WeakPolarHBondContact OG-CB 3.36Å; S1244-E1247 PolarHBondContact OG-N 2.98Å; E1247-R1316 IonicContact OE2-NH1 3.35Å; E1247-Y1319 HydrophobicContact CG-CD2 4.48Å | ||
| 1248 | T | 83.3 | Confident | 79.7 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 42% | 0.423 | 29% | 0.287 | S | S | . | . | trans | -79.7 | 127.9 | 168.2 | -56.2 | 0 | 0 | 0 | 0 | 109.4 | S1283 L1284 | T1248-S1283 WeakPolarHBondContact CG2-OG 3.26Å; T1248-L1284 CarbonylContact C-O 3.54Å; T1248-L1284 VanDerWaalsContact CA-O 3.27Å; T1248-L1284 WeakPolarHBondContact CA-O 3.41Å; T1248-L1284 WeakPolarHBondContact CG2-O 3.21Å | ||
| 1249 | A | 84.3 | Confident | 77.8 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1212 I1251 L1284 V1314 R1316 | I1212-A1249 HydrophobicContact CD1-CB 3.73Å; I1212-A1249 HydrophobicContact CG1-CB 4.4Å; A1249-I1251 HydrophobicContact CB-CG1 4.41Å; A1249-L1284 PolarHBondContact N-O 2.76Å; A1249-L1284 PolarHBondContact O-N 3.2Å; A1249-V1314 HydrophobicContact CB-CG1 4.22Å; A1249-R1316 HydrophobicContact CB-CG 4.3Å |
| 1250 | R | 87.5 | Confident | 75.9 | Confident | 138 Ų | 138 | 62.9 Ų | 62.9 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 108.7 | 169.3 | -176.3 | -179.8 | -84.5 | 144.9 | -7 | 108.6 | V1282 D1315 | R1250-V1282 CarbonylContact C-O 3.54Å; R1250-D1315 HydrophobicContact CB-CB 4.47Å; R1250-D1315 PolarHBondContact N-O 2.88Å; R1250-D1315 PolarHBondContact O-N 3.47Å |
| 1251 | I | 87.5 | Confident | 73.6 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.6 | -178.4 | -53.8 | 174.4 | 0 | 0 | 0 | 109.3 | I1212 L1240 A1249 V1253 S1281 V1282 L1284 I1312 V1313 V1314 | I1212-I1251 HydrophobicContact CD1-CD1 4.34Å; I1212-I1251 HydrophobicContact CG1-CD1 4.37Å; I1212-I1251 HydrophobicContact CG2-CD1 3.61Å; L1240-I1251 HydrophobicContact CB-CD1 4.24Å; L1240-I1251 HydrophobicContact CD1-CB 4.38Å; L1240-I1251 HydrophobicContact CD1-CD1 4.15Å; L1240-I1251 HydrophobicContact CD1-CG2 3.89Å; A1249-I1251 HydrophobicContact CB-CG1 4.41Å; I1251-V1253 HydrophobicContact CG2-CG2 4.42Å; I1251-S1281 CarbonylContact O-C 3.52Å; I1251-S1281 VanDerWaalsContact O-CA 3.31Å; I1251-S1281 WeakPolarHBondContact O-CA 3.37Å; I1251-V1282 PolarHBondContact N-O 3.01Å; I1251-V1282 PolarHBondContact O-N 3.33Å; I1251-L1284 HydrophobicContact CD1-CD1 3.52Å; I1251-L1284 HydrophobicContact CD1-CG 4.24Å; I1251-I1312 HydrophobicContact CG2-CG2 3.46Å; I1251-I1312 VanDerWaalsContact CG2-CG2 3.46Å; I1251-V1313 CarbonylContact C-O 3.49Å; I1251-V1313 WeakPolarHBondContact CA-O 3.29Å; I1251-V1314 HydrophobicContact CG1-CG1 4.49Å; I1251-V1314 HydrophobicContact CG1-CG2 4.33Å; I1251-V1314 HydrophobicContact CG2-CG2 4.48Å |
| 1252 | K | 88.1 | Confident | 71.5 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 34% | 0.343 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.1 | 171.8 | -67.5 | 175.8 | -175.8 | 167.3 | 0 | 109.1 | S1280 I1312 V1313 | K1252-S1280 CarbonylContact C-O 3.56Å; K1252-S1280 WeakPolarHBondContact CA-O 3.5Å; K1252-I1312 CarbonylContact O-C 3.6Å; K1252-I1312 WeakPolarHBondContact O-CA 3.47Å; K1252-V1313 HydrophobicContact CB-CB 4.43Å; K1252-V1313 PolarHBondContact N-O 2.86Å; K1252-V1313 PolarHBondContact O-N 2.79Å |
| 1253 | V | 86.6 | Confident | 69.1 | Low | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.012 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121.9 | 171.2 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | L1238 L1240 I1251 R1279 S1280 V1292 L1294 L1310 I1312 | L1238-V1253 HydrophobicContact CD2-CB 4.44Å; L1238-V1253 HydrophobicContact CD2-CG1 3.79Å; L1238-V1253 HydrophobicContact CD2-CG2 3.73Å; L1240-V1253 HydrophobicContact CD1-CG2 4.02Å; I1251-V1253 HydrophobicContact CG2-CG2 4.42Å; V1253-R1279 CarbonylContact O-C 3.57Å; V1253-R1279 WeakPolarHBondContact O-CA 3.28Å; V1253-S1280 PolarHBondContact N-O 3.28Å; V1253-S1280 PolarHBondContact O-N 2.81Å; V1253-V1292 HydrophobicContact CG2-CG2 4.28Å; V1253-L1294 HydrophobicContact CG1-CD1 4.4Å; V1253-L1294 HydrophobicContact CG1-CD2 4.49Å; V1253-L1310 HydrophobicContact CG1-CD1 3.83Å; V1253-I1312 HydrophobicContact CG2-CG1 4.46Å |
| 1254 | E | 84.7 | Confident | 67.4 | Low | 23 Ų | 23 | 83.2 Ų | 83.2 | 11% | 0.107 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121.5 | -178.8 | -64.7 | -176.9 | 162.7 | 0 | 0 | 109.3 | I1256 R1279 R1311 | E1254-I1256 HydrophobicContact CB-CG1 4.33Å; E1254-R1279 HydrophobicContact CG-CG 4.2Å; E1254-R1279 IonicContact OE1-CZ 2.84Å; E1254-R1279 IonicContact OE1-NE 3.51Å; E1254-R1279 PolarHBondContact OE1-NE 2.84Å; E1254-R1279 IonicContact OE1-NH2 3.25Å; E1254-R1279 PolarHBondContact OE1-NH2 3.26Å; E1254-R1311 HydrophobicContact CB-CB 4.2Å; E1254-R1311 PolarHBondContact N-O 2.8Å; E1254-R1311 PolarHBondContact O-N 3.33Å; E1254-R1311 IonicContact OE2-NH1 2.96Å; E1254-R1311 PolarHBondContact OE2-NH1 2.86Å |
| 1255 | C | 82 | Confident | 65.5 | Low | 21 Ų | 21 | 87.7 Ų | 87.7 | 14% | 0.142 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 111 | 167.9 | -61.6 | 0 | 0 | 0 | 0 | 107.9 | W1274 Y1278 G1309 | C1255-W1274 HydrophobicContact CB-CB 3.52Å; C1255-W1274 HydrophobicContact CB-CD2 4.43Å; C1255-W1274 HydrophobicContact CB-CG 3.76Å; C1255-Y1278 PolarHBondContact N-O 3.28Å; C1255-G1309 CarbonylContact C-O 3.51Å; C1255-G1309 WeakPolarHBondContact CA-O 3.44Å |
| 1256 | I | 71.5 | Confident | 63.6 | Low | 73 Ų | 73 | 88.3 Ų | 88.3 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | trans | -102.2 | 110.7 | -175.9 | -55.6 | 175.7 | 0 | 0 | 0 | 108.8 | E1254 R1258 G1309 R1311 | E1254-I1256 HydrophobicContact CB-CG1 4.33Å; I1256-R1258 PolarHBondContact O-N 2.57Å; I1256-G1309 PolarHBondContact N-O 3.36Å; I1256-G1309 VanDerWaalsContact O-CA 3.26Å; I1256-G1309 WeakPolarHBondContact O-CA 3.33Å; I1256-R1311 HydrophobicContact CD1-CB 3.71Å; I1256-R1311 VanDerWaalsContact CD1-CD 3.49Å; I1256-R1311 HydrophobicContact CD1-CG 4.25Å; I1256-R1311 HydrophobicContact CG1-CB 4.34Å | ||
| 1257 | D | 62.4 | Low | 61.8 | Low | 96 Ų | 96 | 87.5 Ų | 87.5 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | trans | -69.3 | 113.3 | 163.4 | -74.9 | -26.5 | 0 | 0 | 0 | 108.5 | A1259 | D1257-A1259 HydrophobicContact CB-CB 4.5Å; D1257-A1259 PolarHBondContact O-N 2.9Å | ||
| 1258 | R | 57.3 | Low | 60 | Low | 223 Ų | 223 | 92.3 Ų | 92.3 | 84% | 0.842 | 54% | 0.537 | S | S | * | . | trans | -73.1 | 58.6 | 169.4 | -73.4 | -173.6 | 175 | 178.4 | -0.2 | 110.3 | I1256 | I1256-R1258 PolarHBondContact O-N 2.57Š| ||
| 1259 | A | 48.1 | Very low | 58.3 | Low | 93 Ų | 93 | 94.3 Ų | 94.3 | 77% | 0.769 | 55% | 0.549 | S | S | * | . | trans | -117.7 | 67.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | D1257 | D1257-A1259 HydrophobicContact CB-CB 4.5Å; D1257-A1259 PolarHBondContact O-N 2.9Å | ||
| 1260 | G | 42.1 | Very low | 56.7 | Low | 64 Ų | 64 | 104.8 Ų | 104.8 | 66% | 0.66 | 59% | 0.588 | S | S | * | * | trans | 166.7 | 63.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1261 | N | 38.8 | Very low | 55.5 | Low | 166 Ų | 166 | 100.8 Ų | 100.8 | 89% | 0.888 | 58% | 0.577 | S | S | * | * | trans | -161.5 | 110.3 | 144.6 | -96.7 | -18.6 | 0 | 0 | 0 | 107.8 | Q1263 | N1261-Q1263 PolarHBondContact O-N 3.22Å; N1261-Q1263 VanDerWaalsContact O-N 3.16Å | ||
| 1262 | G | 38.8 | Very low | 54.7 | Low | 80 Ų | 80 | 102.4 Ų | 102.4 | 83% | 0.825 | 59% | 0.585 | S | S | * | * | trans | -67.1 | 111.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1263 | Q | 33.4 | Very low | 54.1 | Low | 185 Ų | 185 | 102.6 Ų | 102.6 | 86% | 0.864 | 59% | 0.589 | S | S | * | * | trans | -165.1 | 121.2 | 149 | -105.3 | 169 | 24.8 | 0 | 0 | 110.5 | N1261 | N1261-Q1263 PolarHBondContact O-N 3.22Å; N1261-Q1263 VanDerWaalsContact O-N 3.16Å | ||
| 1264 | S | 38.8 | Very low | 53.9 | Low | 120 Ų | 120 | 103.6 Ų | 103.6 | 84% | 0.839 | 59% | 0.593 | S | S | * | * | trans | 71.3 | 114.2 | 174.1 | 82.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1265 | A | 31.9 | Very low | 53.3 | Low | 103 Ų | 103 | 104.3 Ų | 104.3 | 85% | 0.851 | 60% | 0.603 | S | S | * | * | trans | -98 | 40.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1266 | N | 32.5 | Very low | 52.8 | Low | 164 Ų | 164 | 106.1 Ų | 106.1 | 88% | 0.877 | 63% | 0.625 | S | S | * | * | trans | -132.3 | 47.7 | -176.4 | -96.7 | 0.2 | 0 | 0 | 0 | 113.5 | ||||
| 1267 | S | 38.9 | Very low | 52.5 | Low | 84 Ų | 84 | 106.7 Ų | 106.7 | 59% | 0.587 | 63% | 0.632 | S | S | * | * | trans | -144.9 | 127.4 | 160.9 | 66.6 | 0 | 0 | 0 | 0 | 109.2 | V1269 | S1267-V1269 PolarHBondContact O-N 2.75Š| ||
| 1268 | N | 42.1 | Very low | 52.8 | Low | 155 Ų | 155 | 111.1 Ų | 111.1 | 83% | 0.829 | 64% | 0.643 | S | S | * | * | trans | -62.7 | 32 | 176.5 | -72.7 | -14 | 0 | 0 | 0 | 113.9 | R1270 | N1268-R1270 VanDerWaalsContact C-N 3.26Å; N1268-R1270 PolarHBondContact O-N 2.88Å; N1268-R1270 VanDerWaalsContact O-N 3.08Å | ||
| 1269 | V | 46.9 | Very low | 53.7 | Low | 111 Ų | 111 | 108.2 Ų | 108.2 | 67% | 0.673 | 63% | 0.632 | S | S | * | * | trans | -89.8 | 65.7 | -178.9 | -169.5 | 0 | 0 | 0 | 0 | 108.6 | S1267 | S1267-V1269 PolarHBondContact O-N 2.75Š| ||
| 1270 | R | 51.7 | Low | 55.3 | Low | 221 Ų | 221 | 105.4 Ų | 105.4 | 83% | 0.834 | 61% | 0.607 | S | S | * | * | trans | -118.8 | 24.9 | 168.2 | -81.9 | -165.3 | 178.1 | -177 | 1.1 | 111.9 | N1268 | N1268-R1270 VanDerWaalsContact C-N 3.26Å; N1268-R1270 PolarHBondContact O-N 2.88Å; N1268-R1270 VanDerWaalsContact O-N 3.08Å | ||
| 1271 | D | 60.6 | Low | 57.3 | Low | 54 Ų | 54 | 105.8 Ų | 105.8 | 29% | 0.289 | 60% | 0.599 | S | S | . | * | trans | -89.7 | -17.1 | -164.4 | -61.1 | -14.6 | 0 | 0 | 0 | 114.3 | A1298 I1304 | D1271-A1298 WeakPolarHBondContact O-CA 3.28Å; D1271-A1298 WeakPolarHBondContact O-CB 2.99Å; D1271-I1304 HydrophobicContact CB-CD1 4.17Å; D1271-I1304 HydrophobicContact CB-CG1 4Å; D1271-I1304 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1272 | L | 70.7 | Confident | 59.5 | Low | 33 Ų | 33 | 99.3 Ų | 99.3 | 17% | 0.173 | 57% | 0.565 | C | S | . | * | trans | -127.2 | 121.5 | -177.3 | -175.9 | 65.8 | 0 | 0 | 0 | 112.1 | A1296 I1304 D1305 L1306 S1308 | L1272-A1296 HydrophobicContact CD1-CB 3.41Å; L1272-A1296 VanDerWaalsContact CD1-CB 3.41Å; L1272-I1304 HydrophobicContact CB-CG2 3.59Å; L1272-I1304 HydrophobicContact CD1-CG2 3.8Å; L1272-I1304 HydrophobicContact CD2-CG2 3.76Å; L1272-I1304 HydrophobicContact CG-CG2 3.88Å; L1272-D1305 WeakPolarHBondContact CD2-O 3.37Å; L1272-L1306 HydrophobicContact CD1-CD2 4.26Å; L1272-S1308 VanDerWaalsContact CD2-O 3.28Å; L1272-S1308 WeakPolarHBondContact CD2-O 3.46Å | ||
| 1273 | I | 77 | Confident | 61.8 | Low | 83 Ų | 83 | 99.1 Ų | 99.1 | 43% | 0.426 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.4 | 168.2 | -57.5 | 171.5 | 0 | 0 | 0 | 107.3 | A1297 | I1273-A1297 PolarHBondContact N-O 2.83Å; I1273-A1297 WeakPolarHBondContact O-CA 3.43Å; I1273-A1297 WeakPolarHBondContact O-CB 3Å; I1273-A1297 PolarHBondContact O-N 2.77Å |
| 1274 | W | 81.6 | Confident | 64.3 | Low | 23 Ų | 23 | 90.6 Ų | 90.6 | 9% | 0.087 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.3 | 172.1 | -74.8 | 98.2 | 0 | 0 | 0 | 109.8 | V1236 C1255 L1294 A1296 L1306 S1308 L1310 | V1236-W1274 HydrophobicContact CB-CH2 4.34Å; V1236-W1274 HydrophobicContact CB-CZ3 4.17Å; V1236-W1274 HydrophobicContact CG1-CH2 4.19Å; V1236-W1274 HydrophobicContact CG1-CZ3 4.47Å; V1236-W1274 HydrophobicContact CG2-CH2 4.25Å; V1236-W1274 HydrophobicContact CG2-CZ3 4.17Å; C1255-W1274 HydrophobicContact CB-CB 3.52Å; C1255-W1274 HydrophobicContact CB-CD2 4.43Å; C1255-W1274 HydrophobicContact CB-CG 3.76Å; W1274-L1294 HydrophobicContact CE3-CB 3.85Å; W1274-L1294 HydrophobicContact CH2-CB 4.23Å; W1274-L1294 HydrophobicContact CH2-CD1 4.01Å; W1274-L1294 HydrophobicContact CZ3-CB 3.35Å; W1274-L1294 HydrophobicContact CZ3-CD1 3.88Å; W1274-L1294 HydrophobicContact CZ3-CG 4.22Å; W1274-A1296 HydrophobicContact CE3-CB 4.23Å; W1274-A1296 HydrophobicContact CZ3-CB 4.1Å; W1274-L1306 VanDerWaalsContact CZ2-O 3.28Å; W1274-L1306 WeakPolarHBondContact CZ2-O 3.44Å; W1274-S1308 PolarHBondContact NE1-O 3.15Å; W1274-S1308 VanDerWaalsContact NE1-O 3.11Å; W1274-L1310 HydrophobicContact CZ2-CB 3.99Å; W1274-L1310 HydrophobicContact CZ2-CD1 4.26Å; W1274-L1310 HydrophobicContact CZ2-CD2 4.3Å; W1274-L1310 HydrophobicContact CZ2-CG 4.42Å |
| 1275 | A | 71.9 | Confident | 66.6 | Low | 39 Ų | 39 | 91.7 Ų | 91.7 | 32% | 0.322 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 144.3 | 180 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1295 A1297 | A1275-I1295 HydrophobicContact CB-CG2 4.39Å; A1275-I1295 PolarHBondContact N-O 2.74Å; A1275-A1297 HydrophobicContact CB-CB 4.25Å |
| 1276 | G | 71.9 | Confident | 68.9 | Low | 59 Ų | 59 | 88.9 Ų | 88.9 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 99.4 | -132.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1278 | G1276-Y1278 WeakPolarHBondContact O-CD1 3.37Å; G1276-Y1278 PolarHBondContact O-N 3Å; G1276-Y1278 VanDerWaalsContact O-N 3.11Å |
| 1277 | T | 66.2 | Low | 71.2 | Confident | 85 Ų | 85 | 86.8 Ų | 86.8 | 52% | 0.521 | 46% | 0.46 | S | S | . | . | trans | -68.3 | 103.2 | -178.7 | 40.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1278 | Y | 68.6 | Low | 73.2 | Confident | 189 Ų | 189 | 83.7 Ų | 83.7 | 74% | 0.741 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -75.1 | -22.1 | -178 | 35.9 | -92.3 | 0 | 0 | 0 | 114.4 | C1255 G1276 | C1255-Y1278 PolarHBondContact N-O 3.28Å; G1276-Y1278 WeakPolarHBondContact O-CD1 3.37Å; G1276-Y1278 PolarHBondContact O-N 3Å; G1276-Y1278 VanDerWaalsContact O-N 3.11Å |
| 1279 | R | 75.7 | Confident | 75.4 | Confident | 162 Ų | 162 | 81.8 Ų | 81.8 | 61% | 0.611 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 123.9 | 175.3 | -165.9 | -179.9 | -122.9 | 168 | 0.7 | 108.9 | V1253 E1254 | V1253-R1279 CarbonylContact O-C 3.57Å; V1253-R1279 WeakPolarHBondContact O-CA 3.28Å; E1254-R1279 HydrophobicContact CG-CG 4.2Å; E1254-R1279 IonicContact OE1-CZ 2.84Å; E1254-R1279 IonicContact OE1-NE 3.51Å; E1254-R1279 PolarHBondContact OE1-NE 2.84Å; E1254-R1279 IonicContact OE1-NH2 3.25Å; E1254-R1279 PolarHBondContact OE1-NH2 3.26Å |
| 1280 | S | 80.9 | Confident | 77.3 | Confident | 34 Ų | 34 | 77.5 Ų | 77.5 | 24% | 0.238 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 138.2 | 171.6 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | K1252 V1253 | K1252-S1280 CarbonylContact C-O 3.56Å; K1252-S1280 WeakPolarHBondContact CA-O 3.5Å; V1253-S1280 PolarHBondContact N-O 3.28Å; V1253-S1280 PolarHBondContact O-N 2.81Å |
| 1281 | S | 84.1 | Confident | 78.9 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125.1 | 173.1 | -170.6 | 0 | 0 | 0 | 0 | 108.1 | I1251 | I1251-S1281 CarbonylContact O-C 3.52Å; I1251-S1281 VanDerWaalsContact O-CA 3.31Å; I1251-S1281 WeakPolarHBondContact O-CA 3.37Å |
| 1282 | V | 86.4 | Confident | 80.1 | Confident | 29 Ų | 29 | 67.3 Ų | 67.3 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.3 | 178.5 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | R1250 I1251 L1284 A1290 V1292 | R1250-V1282 CarbonylContact C-O 3.54Å; I1251-V1282 PolarHBondContact N-O 3.01Å; I1251-V1282 PolarHBondContact O-N 3.33Å; V1282-L1284 HydrophobicContact CG1-CD2 4.06Å; V1282-L1284 HydrophobicContact CG1-CG 4.25Å; V1282-A1290 HydrophobicContact CG1-CB 3.52Å; V1282-V1292 HydrophobicContact CG2-CG2 3.89Å |
| 1283 | S | 87 | Confident | 81 | Confident | 76 Ų | 76 | 71.3 Ų | 71.3 | 53% | 0.531 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 114.6 | 170.6 | -165.8 | 0 | 0 | 0 | 0 | 107.6 | T1248 | T1248-S1283 WeakPolarHBondContact CG2-OG 3.26Å |
| 1284 | L | 86 | Confident | 81.5 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.6 | 178.5 | -71.8 | -177.4 | 0 | 0 | 0 | 110 | L1240 N1242 T1248 A1249 I1251 V1282 A1290 | L1240-L1284 HydrophobicContact CB-CD1 3.89Å; N1242-L1284 HydrophobicContact CB-CB 3.75Å; N1242-L1284 HydrophobicContact CB-CD1 4.11Å; N1242-L1284 PolarHBondContact ND2-O 2.94Å; T1248-L1284 CarbonylContact C-O 3.54Å; T1248-L1284 VanDerWaalsContact CA-O 3.27Å; T1248-L1284 WeakPolarHBondContact CA-O 3.41Å; T1248-L1284 WeakPolarHBondContact CG2-O 3.21Å; A1249-L1284 PolarHBondContact N-O 2.76Å; A1249-L1284 PolarHBondContact O-N 3.2Å; I1251-L1284 HydrophobicContact CD1-CD1 3.52Å; I1251-L1284 HydrophobicContact CD1-CG 4.24Å; V1282-L1284 HydrophobicContact CG1-CD2 4.06Å; V1282-L1284 HydrophobicContact CG1-CG 4.25Å; L1284-A1290 HydrophobicContact CD2-CB 3.48Å; L1284-A1290 VanDerWaalsContact CD2-CB 3.48Å; L1284-A1290 HydrophobicContact CG-CB 4.47Å |
| 1285 | E | 86.1 | Confident | 81.8 | Confident | 143 Ų | 143 | 69.8 Ų | 69.8 | 67% | 0.668 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 161.5 | 167.2 | -69.4 | -167.7 | 175.9 | 0 | 0 | 111.2 | N1242 K1287 G1288 | N1242-E1285 PolarHBondContact ND2-O 2.84Å; E1285-K1287 PolarHBondContact O-N 2.86Å; E1285-G1288 WeakPolarHBondContact O-CA 3.44Å; E1285-G1288 PolarHBondContact O-N 2.7Å |
| 1286 | P | 80.8 | Confident | 82.5 | Confident | 44 Ų | 44 | 68 Ų | 68 | 29% | 0.286 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 132.8 | 172.8 | -26.1 | 34.8 | 0 | 0 | 0 | 111.4 | S1244 S1246 G1288 | S1244-P1286 CarbonylContact O-C 3.58Å; S1244-P1286 WeakPolarHBondContact O-CA 3.31Å; S1244-P1286 VanDerWaalsContact O-CB 3.29Å; S1244-P1286 WeakPolarHBondContact O-CB 3.42Å; S1246-P1286 VanDerWaalsContact C-CG 3.43Å; P1286-G1288 PolarHBondContact O-N 3.02Å; P1286-G1288 VanDerWaalsContact O-N 3.13Å |
| 1287 | K | 79.9 | Confident | 83.1 | Confident | 120 Ų | 120 | 65.7 Ų | 65.7 | 52% | 0.522 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 11.6 | -174.7 | -55.4 | -173.2 | 177.6 | 179.8 | 0 | 115.3 | N1242 S1244 E1245 E1285 | N1242-K1287 WeakPolarHBondContact O-CA 3.22Å; N1242-K1287 PolarHBondContact O-N 2.93Å; S1244-K1287 PolarHBondContact O-N 3.38Å; E1245-K1287 WeakPolarHBondContact OE1-CE 3.42Å; E1245-K1287 IonicContact OE1-NZ 3.53Å; E1245-K1287 PolarHBondContact OE1-NZ 3.08Å; E1285-K1287 PolarHBondContact O-N 2.86Å |
| 1288 | G | 81.1 | Confident | 83.9 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | trans | -79.3 | 148.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1242 E1285 P1286 | N1242-G1288 PolarHBondContact N-O 3.45Å; E1285-G1288 WeakPolarHBondContact O-CA 3.44Å; E1285-G1288 PolarHBondContact O-N 2.7Å; P1286-G1288 PolarHBondContact O-N 3.02Å; P1286-G1288 VanDerWaalsContact O-N 3.13Å | ||
| 1289 | E | 87.3 | Confident | 84.5 | Confident | 115 Ų | 115 | 56.3 Ų | 56.3 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 146 | 171.9 | -174.6 | -176.9 | 168.8 | 0 | 0 | 109.8 | K1239 L1240 Y1241 | K1239-E1289 WeakPolarHBondContact CD-OE1 3.31Å; K1239-E1289 IonicContact NZ-OE1 3.55Å; L1240-E1289 CarbonylContact O-C 3.56Å; L1240-E1289 VanDerWaalsContact O-CA 3.29Å; L1240-E1289 WeakPolarHBondContact O-CA 3.49Å; Y1241-E1289 HydrophobicContact CD2-CB 4.36Å |
| 1290 | A | 87 | Confident | 84.4 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 150.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1240 V1282 L1284 | L1240-A1290 PolarHBondContact N-O 3.35Å; L1240-A1290 PolarHBondContact O-N 3.11Å; V1282-A1290 HydrophobicContact CG1-CB 3.52Å; L1284-A1290 HydrophobicContact CD2-CB 3.48Å; L1284-A1290 VanDerWaalsContact CD2-CB 3.48Å; L1284-A1290 HydrophobicContact CG-CB 4.47Å |
| 1291 | T | 86 | Confident | 84 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.5 | 174.3 | -56.4 | 0 | 0 | 0 | 0 | 109.3 | E1237 L1238 K1239 | E1237-T1291 HydrophobicContact CB-CG2 4.02Å; L1238-T1291 CarbonylContact O-C 3.58Å; L1238-T1291 WeakPolarHBondContact O-CA 3.29Å; K1239-T1291 HydrophobicContact CG-CG2 4.27Å |
| 1292 | V | 86.9 | Confident | 83.3 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 115.4 | 171.5 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | L1238 L1240 V1253 V1282 L1294 | L1238-V1292 HydrophobicContact CB-CB 4.33Å; L1238-V1292 PolarHBondContact N-O 3.17Å; L1238-V1292 PolarHBondContact O-N 3.14Å; L1240-V1292 HydrophobicContact CD1-CG2 4.19Å; V1253-V1292 HydrophobicContact CG2-CG2 4.28Å; V1282-V1292 HydrophobicContact CG2-CG2 3.89Å; V1292-L1294 HydrophobicContact CG1-CD2 3.76Å; V1292-L1294 HydrophobicContact CG1-CG 4.16Å |
| 1293 | H | 88 | Confident | 82.3 | Confident | 117 Ų | 117 | 52.1 Ų | 52.1 | 54% | 0.542 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 124.7 | 174.5 | -62 | -78.3 | 0 | 0 | 0 | 109.6 | E1237 | E1237-H1293 IonicContact OE1-CE1 3.35Å; E1237-H1293 PolarHBondContact OE1-CE1 2.85Å; E1237-H1293 VanDerWaalsContact OE1-CE1 3.25Å; E1237-H1293 IonicContact OE1-ND1 3.43Å |
| 1294 | L | 87.8 | Confident | 81.7 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 154.4 | 179.3 | -55.8 | 172.7 | 0 | 0 | 0 | 108.8 | V1236 L1238 V1253 W1274 V1292 L1310 | V1236-L1294 HydrophobicContact CB-CB 4.27Å; V1236-L1294 PolarHBondContact N-O 2.73Å; V1236-L1294 PolarHBondContact O-N 2.88Å; L1238-L1294 HydrophobicContact CB-CD1 4.17Å; L1238-L1294 HydrophobicContact CD2-CD1 4.38Å; V1253-L1294 HydrophobicContact CG1-CD1 4.4Å; V1253-L1294 HydrophobicContact CG1-CD2 4.49Å; W1274-L1294 HydrophobicContact CE3-CB 3.85Å; W1274-L1294 HydrophobicContact CH2-CB 4.23Å; W1274-L1294 HydrophobicContact CH2-CD1 4.01Å; W1274-L1294 HydrophobicContact CZ3-CB 3.35Å; W1274-L1294 HydrophobicContact CZ3-CD1 3.88Å; W1274-L1294 HydrophobicContact CZ3-CG 4.22Å; V1292-L1294 HydrophobicContact CG1-CD2 3.76Å; V1292-L1294 HydrophobicContact CG1-CG 4.16Å; L1294-L1310 HydrophobicContact CD1-CD1 3.69Å; L1294-L1310 HydrophobicContact CD1-CD2 4.42Å |
| 1295 | I | 88.3 | Confident | 81.2 | Confident | 69 Ų | 69 | 50.2 Ų | 50.2 | 35% | 0.354 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 116.1 | 174.2 | -58.6 | 174.9 | 0 | 0 | 0 | 107.9 | R1233 I1234 A1275 | R1233-I1295 HydrophobicContact CB-CG2 4.04Å; R1233-I1295 HydrophobicContact CG-CG2 4.27Å; I1234-I1295 WeakPolarHBondContact O-CA 3.36Å; A1275-I1295 HydrophobicContact CB-CG2 4.39Å; A1275-I1295 PolarHBondContact N-O 2.74Å |
| 1296 | A | 86.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 144.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | I1234 V1236 L1272 W1274 L1306 | I1234-A1296 HydrophobicContact CB-CB 3.87Å; I1234-A1296 WeakPolarHBondContact CB-O 3.25Å; I1234-A1296 HydrophobicContact CD1-CB 4.14Å; I1234-A1296 HydrophobicContact CG1-CB 4.48Å; I1234-A1296 HydrophobicContact CG2-CB 4.39Å; I1234-A1296 PolarHBondContact N-O 2.82Å; I1234-A1296 PolarHBondContact O-N 2.8Å; V1236-A1296 HydrophobicContact CG2-CB 4.26Å; L1272-A1296 HydrophobicContact CD1-CB 3.41Å; L1272-A1296 VanDerWaalsContact CD1-CB 3.41Å; W1274-A1296 HydrophobicContact CE3-CB 4.23Å; W1274-A1296 HydrophobicContact CZ3-CB 4.1Å; A1296-L1306 HydrophobicContact CB-CD2 3.65Å |
| 1297 | A | 85.7 | Confident | 80.7 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134.6 | -180 | 0 | 0 | 0 | 0 | 0 | 109.7 | I1231 C1232 I1273 A1275 | I1231-A1297 HydrophobicContact CG2-CB 3.81Å; C1232-A1297 VanDerWaalsContact O-CA 3.32Å; C1232-A1297 WeakPolarHBondContact O-CA 3.43Å; I1273-A1297 PolarHBondContact N-O 2.83Å; I1273-A1297 WeakPolarHBondContact O-CA 3.43Å; I1273-A1297 WeakPolarHBondContact O-CB 3Å; I1273-A1297 PolarHBondContact O-N 2.77Å; A1275-A1297 HydrophobicContact CB-CB 4.25Å |
| 1298 | A | 83 | Confident | 80.4 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1231 C1232 I1234 D1271 I1304 I1334 | I1231-A1298 WeakPolarHBondContact CA-O 3.25Å; C1232-A1298 HydrophobicContact CB-CB 4.44Å; C1232-A1298 PolarHBondContact N-O 2.92Å; C1232-A1298 PolarHBondContact O-N 3Å; I1234-A1298 HydrophobicContact CD1-CB 4.44Å; D1271-A1298 WeakPolarHBondContact O-CA 3.28Å; D1271-A1298 WeakPolarHBondContact O-CB 2.99Å; A1298-I1304 HydrophobicContact CB-CD1 3.43Å; A1298-I1304 VanDerWaalsContact CB-CD1 3.43Å; A1298-I1334 HydrophobicContact CB-CD1 3.15Å |
| 1299 | T | 80.6 | Confident | 80 | Confident | 76 Ų | 76 | 41.8 Ų | 41.8 | 47% | 0.466 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -108.8 | -4.3 | -175.5 | 53 | 0 | 0 | 0 | 0 | 114 | I1231 | I1231-T1299 HydrophobicContact CG1-CG2 4.33Š|
| 1300 | D | 72.6 | Confident | 79.8 | Confident | 91 Ų | 91 | 36.9 Ų | 36.9 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -151.5 | 164.8 | -178.2 | -152.6 | -12.1 | 0 | 0 | 0 | 111.3 | F1226 S1302 | F1226-D1300 WeakPolarHBondContact CZ-O 3.38Å; D1300-S1302 PolarHBondContact O-N 2.78Å; D1300-S1302 PolarHBondContact O-OG 2.85Å; D1300-S1302 VanDerWaalsContact O-OG 3.12Å |
| 1301 | T | 72.2 | Confident | 79.6 | Confident | 62 Ų | 62 | 40.1 Ų | 40.1 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -62.1 | 119.8 | 169.1 | 42.5 | 0 | 0 | 0 | 0 | 110.6 | F1226 I1334 | F1226-T1301 HydrophobicContact CD2-CG2 4.33Å; F1226-T1301 HydrophobicContact CE2-CG2 3.78Å; T1301-I1334 WeakPolarHBondContact CA-O 3.33Å |
| 1302 | S | 69.5 | Low | 79.6 | Confident | 17 Ų | 17 | 37.5 Ų | 37.5 | 12% | 0.119 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 160.7 | -173.4 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | D1300 I1304 I1334 | D1300-S1302 PolarHBondContact O-N 2.78Å; D1300-S1302 PolarHBondContact O-OG 2.85Å; D1300-S1302 VanDerWaalsContact O-OG 3.12Å; S1302-I1304 WeakPolarHBondContact OG-CD1 3.5Å; S1302-I1304 VanDerWaalsContact OG-CG1 3.31Å; S1302-I1304 WeakPolarHBondContact OG-CG1 3.42Å; S1302-I1334 PolarHBondContact N-O 2.92Å; S1302-I1334 PolarHBondContact O-N 2.81Å |
| 1303 | V | 66.7 | Low | 79.6 | Confident | 39 Ų | 39 | 38.1 Ų | 38.1 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 110.9 | 166 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | T1110 F1331 I1332 T1333 | T1110-V1303 HydrophobicContact CG2-CG2 4.31Å; V1303-F1331 HydrophobicContact CG1-CB 4.16Å; V1303-F1331 HydrophobicContact CG1-CD1 4.1Å; V1303-F1331 HydrophobicContact CG1-CG 4.47Å; V1303-I1332 CarbonylContact C-O 3.5Å; V1303-I1332 WeakPolarHBondContact CA-O 3.19Å; V1303-T1333 HydrophobicContact CG2-CG2 4.11Å |
| 1304 | I | 73.8 | Confident | 79.4 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.036 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 135.5 | -170.7 | -61.1 | 176.5 | 0 | 0 | 0 | 110.2 | D1271 L1272 A1298 S1302 F1331 I1332 I1334 | D1271-I1304 HydrophobicContact CB-CD1 4.17Å; D1271-I1304 HydrophobicContact CB-CG1 4Å; D1271-I1304 WeakPolarHBondContact O-CD1 3.48Å; L1272-I1304 HydrophobicContact CB-CG2 3.59Å; L1272-I1304 HydrophobicContact CD1-CG2 3.8Å; L1272-I1304 HydrophobicContact CD2-CG2 3.76Å; L1272-I1304 HydrophobicContact CG-CG2 3.88Å; A1298-I1304 HydrophobicContact CB-CD1 3.43Å; A1298-I1304 VanDerWaalsContact CB-CD1 3.43Å; S1302-I1304 WeakPolarHBondContact OG-CD1 3.5Å; S1302-I1304 VanDerWaalsContact OG-CG1 3.31Å; S1302-I1304 WeakPolarHBondContact OG-CG1 3.42Å; I1304-F1331 CarbonylContact O-C 3.59Å; I1304-F1331 VanDerWaalsContact O-CA 3.26Å; I1304-F1331 WeakPolarHBondContact O-CA 3.39Å; I1304-I1332 HydrophobicContact CB-CG2 3.91Å; I1304-I1332 PolarHBondContact N-O 2.65Å; I1304-I1332 PolarHBondContact O-N 3.19Å; I1304-I1334 HydrophobicContact CD1-CD1 3.48Å; I1304-I1334 VanDerWaalsContact CD1-CD1 3.48Å; I1304-I1334 HydrophobicContact CG1-CD1 4.38Å |
| 1305 | D | 75.4 | Confident | 79.3 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 19% | 0.193 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 108.9 | 167.8 | -171.7 | -1.9 | 0 | 0 | 0 | 110.3 | L1272 K1307 S1308 S1329 H1330 F1331 | L1272-D1305 WeakPolarHBondContact CD2-O 3.37Å; D1305-K1307 PolarHBondContact O-N 2.89Å; D1305-K1307 VanDerWaalsContact O-N 3.16Å; D1305-K1307 WeakPolarHBondContact OD1-CB 3.47Å; D1305-K1307 PolarHBondContact OD1-N 2.67Å; D1305-S1308 WeakPolarHBondContact O-CB 3.27Å; D1305-S1308 PolarHBondContact O-N 2.97Å; D1305-S1329 VanDerWaalsContact OD1-CA 3.3Å; D1305-S1329 WeakPolarHBondContact OD1-CA 3.07Å; D1305-S1329 WeakPolarHBondContact OD2-CB 3.35Å; D1305-S1329 PolarHBondContact OD2-OG 3.02Å; D1305-H1330 CarbonylContact C-O 3.55Å; D1305-H1330 WeakPolarHBondContact CA-O 3.32Å; D1305-H1330 PolarHBondContact OD1-N 3Å; D1305-F1331 HydrophobicContact CB-CD1 3.99Å; D1305-F1331 HydrophobicContact CB-CE1 3.72Å |
| 1306 | L | 78.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.3 | 177.2 | -65.8 | 176.7 | 0 | 0 | 0 | 112.8 | L1216 Y1218 V1236 L1272 W1274 A1296 S1308 H1330 I1332 | L1216-L1306 HydrophobicContact CD2-CB 4.28Å; L1216-L1306 HydrophobicContact CD2-CD1 4.46Å; Y1218-L1306 HydrophobicContact CD1-CD1 3.68Å; Y1218-L1306 HydrophobicContact CD2-CD1 3.61Å; Y1218-L1306 HydrophobicContact CE1-CD1 4.1Å; Y1218-L1306 HydrophobicContact CE2-CD1 4.02Å; Y1218-L1306 HydrophobicContact CG-CD1 3.42Å; Y1218-L1306 VanDerWaalsContact CG-CD1 3.42Å; V1236-L1306 HydrophobicContact CG2-CD1 3.91Å; V1236-L1306 HydrophobicContact CG2-CD2 4.16Å; L1272-L1306 HydrophobicContact CD1-CD2 4.26Å; W1274-L1306 VanDerWaalsContact CZ2-O 3.28Å; W1274-L1306 WeakPolarHBondContact CZ2-O 3.44Å; A1296-L1306 HydrophobicContact CB-CD2 3.65Å; L1306-S1308 PolarHBondContact O-N 3.35Å; L1306-H1330 HydrophobicContact CB-CB 4.13Å; L1306-H1330 PolarHBondContact N-O 2.85Å; L1306-I1332 HydrophobicContact CD2-CG2 4.15Å; L1306-I1332 HydrophobicContact CG-CG2 4.17Å |
| 1307 | K | 78.2 | Confident | 77.9 | Confident | 89 Ų | 89 | 36 Ų | 36 | 39% | 0.387 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.5 | 169.6 | 176.1 | 178.7 | 172 | 173.2 | 0 | 112 | D1305 G1309 L1310 L1327 | D1305-K1307 PolarHBondContact O-N 2.89Å; D1305-K1307 VanDerWaalsContact O-N 3.16Å; D1305-K1307 WeakPolarHBondContact OD1-CB 3.47Å; D1305-K1307 PolarHBondContact OD1-N 2.67Å; K1307-G1309 PolarHBondContact O-N 2.83Å; K1307-L1310 PolarHBondContact O-N 2.99Å; K1307-L1310 VanDerWaalsContact O-N 3.14Å; K1307-L1327 HydrophobicContact CD-CB 4.1Å; K1307-L1327 WeakPolarHBondContact CD-O 3.29Å; K1307-L1327 WeakPolarHBondContact CE-O 3.46Å; K1307-L1327 HydrophobicContact CG-CB 3.87Å; K1307-L1327 PolarHBondContact NZ-O 3.46Å |
| 1308 | S | 73.1 | Confident | 76.6 | Confident | 47 Ų | 47 | 40.8 Ų | 40.8 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 120.9 | -175.2 | -168.1 | 0 | 0 | 0 | 0 | 110.3 | L1272 W1274 D1305 L1306 L1310 | L1272-S1308 VanDerWaalsContact CD2-O 3.28Å; L1272-S1308 WeakPolarHBondContact CD2-O 3.46Å; W1274-S1308 PolarHBondContact NE1-O 3.15Å; W1274-S1308 VanDerWaalsContact NE1-O 3.11Å; D1305-S1308 WeakPolarHBondContact O-CB 3.27Å; D1305-S1308 PolarHBondContact O-N 2.97Å; L1306-S1308 PolarHBondContact O-N 3.35Å; S1308-L1310 VanDerWaalsContact C-N 3.33Å; S1308-L1310 PolarHBondContact O-N 2.76Å |
| 1309 | G | 73.1 | Confident | 75.7 | Confident | 13 Ų | 13 | 49 Ų | 49 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 8.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | C1255 I1256 K1307 | C1255-G1309 CarbonylContact C-O 3.51Å; C1255-G1309 WeakPolarHBondContact CA-O 3.44Å; I1256-G1309 PolarHBondContact N-O 3.36Å; I1256-G1309 VanDerWaalsContact O-CA 3.26Å; I1256-G1309 WeakPolarHBondContact O-CA 3.33Å; K1307-G1309 PolarHBondContact O-N 2.83Å |
| 1310 | L | 81.9 | Confident | 75.1 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.3 | 170.9 | -171.4 | 64.2 | 0 | 0 | 0 | 110.2 | L1216 V1253 W1274 L1294 K1307 S1308 L1327 | L1216-L1310 HydrophobicContact CD1-CD2 4.1Å; L1216-L1310 HydrophobicContact CD2-CD2 4.36Å; V1253-L1310 HydrophobicContact CG1-CD1 3.83Å; W1274-L1310 HydrophobicContact CZ2-CB 3.99Å; W1274-L1310 HydrophobicContact CZ2-CD1 4.26Å; W1274-L1310 HydrophobicContact CZ2-CD2 4.3Å; W1274-L1310 HydrophobicContact CZ2-CG 4.42Å; L1294-L1310 HydrophobicContact CD1-CD1 3.69Å; L1294-L1310 HydrophobicContact CD1-CD2 4.42Å; K1307-L1310 PolarHBondContact O-N 2.99Å; K1307-L1310 VanDerWaalsContact O-N 3.14Å; S1308-L1310 VanDerWaalsContact C-N 3.33Å; S1308-L1310 PolarHBondContact O-N 2.76Å; L1310-L1327 HydrophobicContact CB-CD1 3.89Å; L1310-L1327 HydrophobicContact CD2-CD1 3.92Å; L1310-L1327 HydrophobicContact CG-CD1 3.85Å; L1310-L1327 VanDerWaalsContact O-CD1 3.29Å; L1310-L1327 WeakPolarHBondContact O-CD1 3.34Å |
| 1311 | R | 84.7 | Confident | 75.2 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 33% | 0.332 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.3 | 178.2 | 176.8 | 175.5 | -166.4 | -139.4 | 5.9 | 110.1 | E1254 I1256 V1313 E1324 | E1254-R1311 HydrophobicContact CB-CB 4.2Å; E1254-R1311 PolarHBondContact N-O 2.8Å; E1254-R1311 PolarHBondContact O-N 3.33Å; E1254-R1311 IonicContact OE2-NH1 2.96Å; E1254-R1311 PolarHBondContact OE2-NH1 2.86Å; I1256-R1311 HydrophobicContact CD1-CB 3.71Å; I1256-R1311 VanDerWaalsContact CD1-CD 3.49Å; I1256-R1311 HydrophobicContact CD1-CG 4.25Å; I1256-R1311 HydrophobicContact CG1-CB 4.34Å; R1311-V1313 HydrophobicContact CG-CG2 4.07Å; R1311-E1324 HydrophobicContact CG-CG 4.11Å; R1311-E1324 WeakPolarHBondContact CG-OE1 3.07Å; R1311-E1324 IonicContact CZ-OE2 2.65Å; R1311-E1324 IonicContact NE-OE1 3.21Å; R1311-E1324 IonicContact NE-OE2 3.87Å; R1311-E1324 PolarHBondContact NE-OE2 2.9Å; R1311-E1324 IonicContact NH2-OE2 2.97Å; R1311-E1324 PolarHBondContact NH2-OE2 2.81Å |
| 1312 | I | 85.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 113.5 | 179.1 | -54.9 | 179.4 | 0 | 0 | 0 | 108.2 | L1238 L1240 I1251 K1252 V1253 E1324 L1325 L1327 | L1238-I1312 HydrophobicContact CD1-CD1 3.9Å; L1238-I1312 HydrophobicContact CD2-CD1 3.63Å; L1238-I1312 HydrophobicContact CD2-CG1 4.27Å; L1238-I1312 HydrophobicContact CG-CD1 4.36Å; L1240-I1312 HydrophobicContact CD2-CD1 4.23Å; L1240-I1312 HydrophobicContact CD2-CG2 4.48Å; I1251-I1312 HydrophobicContact CG2-CG2 3.46Å; I1251-I1312 VanDerWaalsContact CG2-CG2 3.46Å; K1252-I1312 CarbonylContact O-C 3.6Å; K1252-I1312 WeakPolarHBondContact O-CA 3.47Å; V1253-I1312 HydrophobicContact CG2-CG1 4.46Å; I1312-E1324 CarbonylContact O-C 3.58Å; I1312-E1324 WeakPolarHBondContact O-CA 3.34Å; I1312-L1325 HydrophobicContact CB-CB 4Å; I1312-L1325 HydrophobicContact CB-CD2 4.47Å; I1312-L1325 HydrophobicContact CD1-CD2 4.18Å; I1312-L1325 HydrophobicContact CG2-CB 4.18Å; I1312-L1325 HydrophobicContact CG2-CD2 4.24Å; I1312-L1325 PolarHBondContact O-N 2.8Å; I1312-L1327 HydrophobicContact CD1-CD2 3.78Å; I1312-L1327 HydrophobicContact CG1-CD2 4.45Å |
| 1313 | V | 86.4 | Confident | 76.2 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.1 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | I1251 K1252 R1311 P1322 Y1323 | I1251-V1313 CarbonylContact C-O 3.49Å; I1251-V1313 WeakPolarHBondContact CA-O 3.29Å; K1252-V1313 HydrophobicContact CB-CB 4.43Å; K1252-V1313 PolarHBondContact N-O 2.86Å; K1252-V1313 PolarHBondContact O-N 2.79Å; R1311-V1313 HydrophobicContact CG-CG2 4.07Å; V1313-P1322 HydrophobicContact CG1-CB 4.14Å; V1313-Y1323 CarbonylContact C-O 3.59Å; V1313-Y1323 WeakPolarHBondContact CA-O 3.48Å |
| 1314 | V | 83.7 | Confident | 77 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121.6 | 179.5 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | I1212 A1249 I1251 R1316 P1322 Y1323 | I1212-V1314 HydrophobicContact CB-CG2 4.33Å; I1212-V1314 HydrophobicContact CG1-CG1 3.71Å; I1212-V1314 HydrophobicContact CG1-CG2 4.11Å; I1212-V1314 HydrophobicContact CG2-CG2 4.38Å; A1249-V1314 HydrophobicContact CB-CG1 4.22Å; I1251-V1314 HydrophobicContact CG1-CG1 4.49Å; I1251-V1314 HydrophobicContact CG1-CG2 4.33Å; I1251-V1314 HydrophobicContact CG2-CG2 4.48Å; V1314-R1316 HydrophobicContact CG1-CG 4.03Å; V1314-P1322 CarbonylContact O-C 3.59Å; V1314-P1322 WeakPolarHBondContact O-CA 3.45Å; V1314-Y1323 HydrophobicContact CB-CD1 4.25Å; V1314-Y1323 HydrophobicContact CB-CE1 3.79Å; V1314-Y1323 HydrophobicContact CB-CE2 4.18Å; V1314-Y1323 HydrophobicContact CG1-CE1 3.8Å; V1314-Y1323 HydrophobicContact CG2-CE2 4.23Å; V1314-Y1323 PolarHBondContact N-O 3.48Å; V1314-Y1323 PolarHBondContact O-N 2.91Å |
| 1315 | D | 84.8 | Confident | 77.3 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 16% | 0.155 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120.9 | 174.6 | 178.8 | 3.9 | 0 | 0 | 0 | 109.6 | R1250 S1317 P1322 | R1250-D1315 HydrophobicContact CB-CB 4.47Å; R1250-D1315 PolarHBondContact N-O 2.88Å; R1250-D1315 PolarHBondContact O-N 3.47Å; D1315-S1317 WeakPolarHBondContact OD1-CB 3.49Å; D1315-S1317 PolarHBondContact OD1-N 3.18Å; D1315-S1317 PolarHBondContact OD1-OG 3.22Å; D1315-P1322 HydrophobicContact CB-CB 4.23Å; D1315-P1322 HydrophobicContact CB-CG 4.24Å |
| 1316 | R | 76.9 | Confident | 77.3 | Confident | 38 Ų | 38 | 59.4 Ų | 59.4 | 14% | 0.143 | 32% | 0.323 | C | S | . | . | trans | -114.6 | 24.4 | -179.3 | -56.2 | -168.1 | -166.4 | 164.8 | 11.2 | 113 | V1211 E1247 A1249 V1314 Y1319 Y1323 | V1211-R1316 VanDerWaalsContact CB-NH2 3.29Å; V1211-R1316 VanDerWaalsContact CG2-NH1 3.27Å; E1247-R1316 IonicContact OE2-NH1 3.35Å; A1249-R1316 HydrophobicContact CB-CG 4.3Å; V1314-R1316 HydrophobicContact CG1-CG 4.03Å; R1316-Y1319 PolarHBondContact O-N 2.98Å; R1316-Y1323 PolarHBondContact NH2-OH 2.91Å | ||
| 1317 | S | 70 | Confident | 77.1 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 56% | 0.559 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 132.3 | -177.9 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | D1315 | D1315-S1317 WeakPolarHBondContact OD1-CB 3.49Å; D1315-S1317 PolarHBondContact OD1-N 3.18Å; D1315-S1317 PolarHBondContact OD1-OG 3.22Å |
| 1318 | P | 58.1 | Low | 76.7 | Confident | 110 Ų | 110 | 61 Ų | 61 | 71% | 0.714 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92.5 | 6.3 | 15 | 36.5 | -35.9 | 0 | 0 | 0 | 116.1 | ||
| 1319 | Y | 63.6 | Low | 76.5 | Confident | 174 Ų | 174 | 61.1 Ų | 61.1 | 68% | 0.682 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -92.3 | 1.5 | -164.8 | -58 | -74.5 | 0 | 0 | 0 | 115.9 | E1247 R1316 | E1247-Y1319 HydrophobicContact CG-CD2 4.48Å; R1316-Y1319 PolarHBondContact O-N 2.98Å |
| 1320 | G | 67.7 | Low | 76.5 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 39% | 0.392 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -177.9 | 164.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1321 | E | 74 | Confident | 76 | Confident | 180 Ų | 180 | 64.6 Ų | 64.6 | 84% | 0.841 | 34% | 0.344 | S | S | * | . | trans | -69.1 | 145.2 | 172.1 | -70.1 | -164.1 | 164 | 0 | 0 | 110.8 | Y1323 | E1321-Y1323 PolarHBondContact O-N 2.99Š| ||
| 1322 | P | 80.8 | Confident | 75.6 | Confident | 75 Ų | 75 | 60.4 Ų | 60.4 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | trans | -59.1 | 132.2 | 173.1 | -20 | 30.4 | 0 | 0 | 0 | 111.2 | V1313 V1314 D1315 | V1313-P1322 HydrophobicContact CG1-CB 4.14Å; V1314-P1322 CarbonylContact O-C 3.59Å; V1314-P1322 WeakPolarHBondContact O-CA 3.45Å; D1315-P1322 HydrophobicContact CB-CB 4.23Å; D1315-P1322 HydrophobicContact CB-CG 4.24Å | ||
| 1323 | Y | 83.8 | Confident | 74.9 | Confident | 63 Ų | 63 | 61.7 Ų | 61.7 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 158.8 | 179.9 | 72.6 | -91.8 | 0 | 0 | 0 | 111.4 | D1210 V1313 V1314 R1316 E1321 L1325 | D1210-Y1323 WeakPolarHBondContact OD1-CE2 3.29Å; D1210-Y1323 VanDerWaalsContact OD1-CZ 3.29Å; D1210-Y1323 PolarHBondContact OD1-OH 2.64Å; V1313-Y1323 CarbonylContact C-O 3.59Å; V1313-Y1323 WeakPolarHBondContact CA-O 3.48Å; V1314-Y1323 HydrophobicContact CB-CD1 4.25Å; V1314-Y1323 HydrophobicContact CB-CE1 3.79Å; V1314-Y1323 HydrophobicContact CB-CE2 4.18Å; V1314-Y1323 HydrophobicContact CG1-CE1 3.8Å; V1314-Y1323 HydrophobicContact CG2-CE2 4.23Å; V1314-Y1323 PolarHBondContact N-O 3.48Å; V1314-Y1323 PolarHBondContact O-N 2.91Å; R1316-Y1323 PolarHBondContact NH2-OH 2.91Å; E1321-Y1323 PolarHBondContact O-N 2.99Å; Y1323-L1325 HydrophobicContact CE2-CD1 4.29Å |
| 1324 | E | 82.9 | Confident | 74.4 | Confident | 103 Ų | 103 | 60.9 Ų | 60.9 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.3 | 179.1 | -173.5 | 171.9 | 157.7 | 0 | 0 | 110.7 | R1311 I1312 | R1311-E1324 HydrophobicContact CG-CG 4.11Å; R1311-E1324 WeakPolarHBondContact CG-OE1 3.07Å; R1311-E1324 IonicContact CZ-OE2 2.65Å; R1311-E1324 IonicContact NE-OE1 3.21Å; R1311-E1324 IonicContact NE-OE2 3.87Å; R1311-E1324 PolarHBondContact NE-OE2 2.9Å; R1311-E1324 IonicContact NH2-OE2 2.97Å; R1311-E1324 PolarHBondContact NH2-OE2 2.81Å; I1312-E1324 CarbonylContact O-C 3.58Å; I1312-E1324 WeakPolarHBondContact O-CA 3.34Å |
| 1325 | L | 80.4 | Confident | 73.6 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | trans | -72.3 | 129.3 | -178.9 | -160 | 75.5 | 0 | 0 | 0 | 110.5 | I1212 Y1214 I1312 Y1323 L1327 | I1212-L1325 HydrophobicContact CB-CD1 4.41Å; Y1214-L1325 HydrophobicContact CD1-CD2 3.32Å; Y1214-L1325 HydrophobicContact CD1-CG 4.14Å; Y1214-L1325 HydrophobicContact CE1-CD2 4.07Å; Y1214-L1325 HydrophobicContact CE1-CG 4.49Å; Y1214-L1325 HydrophobicContact CG-CD2 3.87Å; I1312-L1325 HydrophobicContact CB-CB 4Å; I1312-L1325 HydrophobicContact CB-CD2 4.47Å; I1312-L1325 HydrophobicContact CD1-CD2 4.18Å; I1312-L1325 HydrophobicContact CG2-CB 4.18Å; I1312-L1325 HydrophobicContact CG2-CD2 4.24Å; I1312-L1325 PolarHBondContact O-N 2.8Å; Y1323-L1325 HydrophobicContact CE2-CD1 4.29Å; L1325-L1327 PolarHBondContact O-N 2.77Å | ||
| 1326 | A | 75.1 | Confident | 73 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 67% | 0.669 | 35% | 0.347 | S | S | * | . | trans | -74.6 | 105.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1327 | L | 75.2 | Confident | 72.5 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 9% | 0.089 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 141.5 | 178.4 | -63.2 | 178.6 | 0 | 0 | 0 | 113 | Y1214 K1307 L1310 I1312 L1325 | Y1214-L1327 HydrophobicContact CD1-CD2 4.34Å; Y1214-L1327 HydrophobicContact CD2-CD2 3.9Å; Y1214-L1327 HydrophobicContact CE1-CD2 4.01Å; Y1214-L1327 HydrophobicContact CE2-CD2 3.56Å; Y1214-L1327 HydrophobicContact CG-CD2 4.28Å; Y1214-L1327 WeakPolarHBondContact OH-CA 3.36Å; K1307-L1327 HydrophobicContact CD-CB 4.1Å; K1307-L1327 WeakPolarHBondContact CD-O 3.29Å; K1307-L1327 WeakPolarHBondContact CE-O 3.46Å; K1307-L1327 HydrophobicContact CG-CB 3.87Å; K1307-L1327 PolarHBondContact NZ-O 3.46Å; L1310-L1327 HydrophobicContact CB-CD1 3.89Å; L1310-L1327 HydrophobicContact CD2-CD1 3.92Å; L1310-L1327 HydrophobicContact CG-CD1 3.85Å; L1310-L1327 VanDerWaalsContact O-CD1 3.29Å; L1310-L1327 WeakPolarHBondContact O-CD1 3.34Å; I1312-L1327 HydrophobicContact CD1-CD2 3.78Å; I1312-L1327 HydrophobicContact CG1-CD2 4.45Å; L1325-L1327 PolarHBondContact O-N 2.77Å |
| 1328 | Q | 68.2 | Low | 71.7 | Confident | 107 Ų | 107 | 67.2 Ų | 67.2 | 50% | 0.5 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 153.1 | 168.5 | -67 | -175.5 | -2.7 | 0 | 0 | 110.1 | Y1214 | Y1214-Q1328 PolarHBondContact OH-N 2.82Š|
| 1329 | S | 70.5 | Confident | 71 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 34% | 0.343 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 137.9 | 176.3 | -74.1 | 0 | 0 | 0 | 0 | 111 | D1305 | D1305-S1329 VanDerWaalsContact OD1-CA 3.3Å; D1305-S1329 WeakPolarHBondContact OD1-CA 3.07Å; D1305-S1329 WeakPolarHBondContact OD2-CB 3.35Å; D1305-S1329 PolarHBondContact OD2-OG 3.02Å |
| 1330 | H | 72.5 | Confident | 69.9 | Low | 33 Ų | 33 | 64.5 Ų | 64.5 | 15% | 0.153 | 37% | 0.365 | C | S | . | . | trans | -134 | 99.5 | -174.9 | -81.2 | 14.3 | 0 | 0 | 0 | 109.3 | L1216 Y1218 D1305 L1306 | L1216-H1330 WeakPolarHBondContact CB-CD2 3.32Å; Y1218-H1330 HydrophobicContact CE1-CB 3.74Å; Y1218-H1330 AromaticContact CE1-CD2 3.54Å; Y1218-H1330 AromaticContact CE1-CG 3.82Å; Y1218-H1330 WeakPolarHBondContact OH-CA 3.46Å; Y1218-H1330 WeakPolarHBondContact OH-CB 3.49Å; D1305-H1330 CarbonylContact C-O 3.55Å; D1305-H1330 WeakPolarHBondContact CA-O 3.32Å; D1305-H1330 PolarHBondContact OD1-N 3Å; L1306-H1330 HydrophobicContact CB-CB 4.13Å; L1306-H1330 PolarHBondContact N-O 2.85Å | ||
| 1331 | F | 71.5 | Confident | 68.4 | Low | 65 Ų | 65 | 65.4 Ų | 65.4 | 29% | 0.285 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.3 | -173.3 | -61.3 | -76 | 0 | 0 | 0 | 111.7 | Y1218 V1303 I1304 D1305 | Y1218-F1331 WeakPolarHBondContact CE2-O 3.31Å; Y1218-F1331 PolarHBondContact OH-N 2.92Å; Y1218-F1331 PolarHBondContact OH-O 3.15Å; V1303-F1331 HydrophobicContact CG1-CB 4.16Å; V1303-F1331 HydrophobicContact CG1-CD1 4.1Å; V1303-F1331 HydrophobicContact CG1-CG 4.47Å; I1304-F1331 CarbonylContact O-C 3.59Å; I1304-F1331 VanDerWaalsContact O-CA 3.26Å; I1304-F1331 WeakPolarHBondContact O-CA 3.39Å; D1305-F1331 HydrophobicContact CB-CD1 3.99Å; D1305-F1331 HydrophobicContact CB-CE1 3.72Å |
| 1332 | I | 75.3 | Confident | 66.3 | Low | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 139.3 | 167.2 | -175.8 | 169.4 | 0 | 0 | 0 | 109.5 | Y1218 S1219 P1220 I1222 I1234 V1303 I1304 L1306 | Y1218-I1332 HydrophobicContact CD2-CB 4.27Å; Y1218-I1332 HydrophobicContact CE2-CB 4.29Å; S1219-I1332 WeakPolarHBondContact O-CD1 3.49Å; S1219-I1332 VanDerWaalsContact O-CG1 3.25Å; S1219-I1332 WeakPolarHBondContact O-CG1 3.44Å; P1220-I1332 WeakPolarHBondContact O-CA 3.26Å; I1222-I1332 HydrophobicContact CD1-CD1 3.67Å; I1222-I1332 HydrophobicContact CG1-CD1 4.01Å; I1234-I1332 HydrophobicContact CB-CD1 4.37Å; I1234-I1332 HydrophobicContact CD1-CD1 4.06Å; I1234-I1332 HydrophobicContact CD1-CG2 4.1Å; I1234-I1332 HydrophobicContact CG1-CD1 4.19Å; I1234-I1332 HydrophobicContact CG2-CD1 3.34Å; V1303-I1332 CarbonylContact C-O 3.5Å; V1303-I1332 WeakPolarHBondContact CA-O 3.19Å; I1304-I1332 HydrophobicContact CB-CG2 3.91Å; I1304-I1332 PolarHBondContact N-O 2.65Å; I1304-I1332 PolarHBondContact O-N 3.19Å; L1306-I1332 HydrophobicContact CD2-CG2 4.15Å; L1306-I1332 HydrophobicContact CG-CG2 4.17Å |
| 1333 | T | 70.9 | Confident | 64 | Low | 27 Ų | 27 | 66.5 Ų | 66.5 | 17% | 0.166 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128 | 174.4 | -51.1 | 0 | 0 | 0 | 0 | 110.1 | P1220 S1221 I1222 V1303 | P1220-T1333 PolarHBondContact O-N 2.92Å; S1221-T1333 CarbonylContact C-O 3.6Å; S1221-T1333 VanDerWaalsContact CA-O 3.26Å; S1221-T1333 WeakPolarHBondContact CA-O 3.46Å; I1222-T1333 PolarHBondContact N-O 3.01Å; V1303-T1333 HydrophobicContact CG2-CG2 4.11Å |
| 1334 | I | 76 | Confident | 61.5 | Low | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.021 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118.6 | 175.9 | -54.5 | 165.3 | 0 | 0 | 0 | 109.3 | I1222 H1224 F1226 C1232 I1234 A1298 T1301 S1302 I1304 | I1222-I1334 CarbonylContact O-C 3.58Å; I1222-I1334 VanDerWaalsContact O-CA 3.31Å; I1222-I1334 WeakPolarHBondContact O-CA 3.39Å; H1224-I1334 HydrophobicContact CB-CG2 4.32Å; F1226-I1334 HydrophobicContact CE2-CG2 3.96Å; F1226-I1334 HydrophobicContact CZ-CG2 3.68Å; C1232-I1334 HydrophobicContact CB-CG2 4.34Å; I1234-I1334 HydrophobicContact CD1-CD1 3.76Å; I1234-I1334 HydrophobicContact CD1-CG1 4.34Å; A1298-I1334 HydrophobicContact CB-CD1 3.15Å; T1301-I1334 WeakPolarHBondContact CA-O 3.33Å; S1302-I1334 PolarHBondContact N-O 2.92Å; S1302-I1334 PolarHBondContact O-N 2.81Å; I1304-I1334 HydrophobicContact CD1-CD1 3.48Å; I1304-I1334 VanDerWaalsContact CD1-CD1 3.48Å; I1304-I1334 HydrophobicContact CG1-CD1 4.38Å |
| 1335 | H | 68.1 | Low | 58.8 | Low | 28 Ų | 28 | 71.2 Ų | 71.2 | 13% | 0.13 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 142.8 | 176.6 | -56.7 | -77.9 | 0 | 0 | 0 | 109.9 | I1222 S1223 H1224 | I1222-H1335 PolarHBondContact O-N 3.11Å; S1223-H1335 CarbonylContact C-O 3.53Å; S1223-H1335 WeakPolarHBondContact CA-O 3.27Å; H1224-H1335 PolarHBondContact N-O 2.84Å |
| 1336 | S | 72.2 | Confident | 56.3 | Low | 50 Ų | 50 | 77.9 Ų | 77.9 | 35% | 0.35 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135.9 | 172.2 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | H1224 Q1338 | H1224-S1336 CarbonylContact O-C 3.59Å; H1224-S1336 WeakPolarHBondContact O-CA 3.39Å; S1336-Q1338 VanDerWaalsContact C-N 3.34Å; S1336-Q1338 PolarHBondContact OG-N 2.79Å |
| 1337 | L | 65.6 | Low | 54.3 | Low | 102 Ų | 102 | 87.2 Ų | 87.2 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | trans | -90.9 | 9.5 | 171.7 | -77.3 | 166 | 0 | 0 | 0 | 113.1 | S1223 H1224 D1225 A1339 | S1223-L1337 WeakPolarHBondContact O-CD1 3.33Å; H1224-L1337 PolarHBondContact O-N 2.85Å; D1225-L1337 HydrophobicContact CB-CB 3.85Å; L1337-A1339 PolarHBondContact O-N 2.84Å | ||
| 1338 | Q | 53 | Low | 53.2 | Low | 99 Ų | 99 | 90.8 Ų | 90.8 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | trans | -60.2 | 114.1 | -176.3 | -95.7 | -173.4 | -29.7 | 0 | 0 | 112.4 | S1336 I1340 | S1336-Q1338 VanDerWaalsContact C-N 3.34Å; S1336-Q1338 PolarHBondContact OG-N 2.79Å; Q1338-I1340 HydrophobicContact CB-CG1 4.06Å; Q1338-I1340 PolarHBondContact O-N 3.25Å | ||
| 1339 | A | 44.2 | Very low | 52.4 | Low | 100 Ų | 100 | 89.9 Ų | 89.9 | 83% | 0.826 | 52% | 0.517 | S | S | * | . | trans | -73.5 | 100.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | L1337 G1341 | L1337-A1339 PolarHBondContact O-N 2.84Å; A1339-G1341 PolarHBondContact O-N 3.37Å | ||
| 1340 | I | 39.8 | Very low | 51.4 | Low | 128 Ų | 128 | 92.2 Ų | 92.2 | 66% | 0.656 | 53% | 0.527 | S | S | * | . | trans | -89.6 | 97.4 | 175.1 | -60 | 179.2 | 0 | 0 | 0 | 108.3 | Q1338 | Q1338-I1340 HydrophobicContact CB-CG1 4.06Å; Q1338-I1340 PolarHBondContact O-N 3.25Å | ||
| 1341 | G | 36.5 | Very low | 50.2 | Low | 57 Ų | 57 | 95.6 Ų | 95.6 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | trans | 41.7 | 103.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | A1339 V1343 | A1339-G1341 PolarHBondContact O-N 3.37Å; G1341-V1343 PolarHBondContact O-N 3.13Å | ||
| 1342 | T | 29.9 | Very low | 48.9 | Very low | 141 Ų | 141 | 97.6 Ų | 97.6 | 87% | 0.865 | 57% | 0.565 | S | S | * | * | trans | -44.4 | 104.5 | 156.1 | 46.4 | 0 | 0 | 0 | 0 | 111.1 | A1344 | T1342-A1344 PolarHBondContact O-N 2.91Å; T1342-A1344 VanDerWaalsContact O-N 3.15Å | ||
| 1343 | V | 32.7 | Very low | 47.1 | Very low | 137 Ų | 137 | 104.1 Ų | 104.1 | 83% | 0.83 | 60% | 0.603 | S | S | * | * | trans | -80 | 79.2 | 151.7 | -178.4 | 0 | 0 | 0 | 0 | 105.9 | G1341 | G1341-V1343 PolarHBondContact O-N 3.13Š| ||
| 1344 | A | 30.2 | Very low | 45.4 | Very low | 80 Ų | 80 | 109.6 Ų | 109.6 | 66% | 0.661 | 63% | 0.634 | S | S | * | * | trans | -69.7 | 138.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | T1342 | T1342-A1344 PolarHBondContact O-N 2.91Å; T1342-A1344 VanDerWaalsContact O-N 3.15Å | ||
| 1345 | E | 27.4 | Very low | 43 | Very low | 185 Ų | 185 | 117.7 Ų | 117.7 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | trans | 91.8 | 64.9 | 176.7 | -54.4 | -172.1 | 165.1 | 0 | 0 | 117.9 | ||||
| 1346 | V | 27.8 | Very low | 40.9 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 89% | 0.885 | 73% | 0.727 | S | S | * | * | -142.8 | 97.1 | 124.5 | -173.3 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 1347 | K | 32.2 | Very low | 38.1 | Very low | 277 Ų | 277 | 132 Ų | 132 | 100% | 1.204 | 76% | 0.762 | S | S | * | * | trans | -106.2 | 0 | 166.3 | -123.7 | -172.1 | -174.3 | -178.7 | 0 | 108.5 |
Retrieved 1,347 of 1,347 residues in 530.1 ms
(Link to these results)