| 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 | 55.1 | Low | 53.8 | Low | 237 Ų | 237 | 126.3 Ų | 126.3 | 100% | 1.167 | 67% | 0.667 | S | S | * | * | 0 | 23.3 | 0 | -77 | -92.3 | -93.5 | 0 | 0 | 113.9 | |||||
| 2 | G | 55.2 | Low | 53.7 | Low | 51 Ų | 51 | 118.8 Ų | 118.8 | 53% | 0.526 | 64% | 0.643 | S | S | . | * | trans | -111.3 | -33.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3 | I | 53.5 | Low | 53.5 | Low | 141 Ų | 141 | 124.8 Ų | 124.8 | 72% | 0.723 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -80.5 | -30.7 | -171.2 | -61.3 | 171.3 | 0 | 0 | 0 | 112.2 | R5 V6 L7 | I3-R5 PolarHBondContact O-N 3.22Å; I3-V6 PolarHBondContact O-N 3.38Å; I3-L7 HydrophobicContact CG2-CD1 4.42Å; I3-L7 PolarHBondContact O-N 3.26Å |
| 4 | L | 50.4 | Low | 53.4 | Low | 141 Ų | 141 | 122.3 Ų | 122.3 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.2 | -28.7 | -178.9 | -147 | 77.8 | 0 | 0 | 0 | 113.2 | V8 | L4-V8 WeakPolarHBondContact O-CG2 3.15Å; L4-V8 PolarHBondContact O-N 2.93Å |
| 5 | R | 54 | Low | 53.3 | Low | 204 Ų | 204 | 119.7 Ų | 119.7 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.7 | -29.3 | 176.8 | -92.1 | -176.7 | -179.4 | 176.2 | 0.6 | 113.1 | I3 N9 | I3-R5 PolarHBondContact O-N 3.22Å; R5-N9 PolarHBondContact O-N 2.72Å |
| 6 | V | 55.6 | Low | 53.3 | Low | 93 Ų | 93 | 116.5 Ų | 116.5 | 56% | 0.564 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.5 | -40 | -179.5 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | I3 N9 T10 | I3-V6 PolarHBondContact O-N 3.38Å; V6-N9 PolarHBondContact O-N 2.85Å; V6-T10 PolarHBondContact O-N 2.58Å; V6-T10 VanDerWaalsContact O-N 3.07Å; V6-T10 PolarHBondContact O-OG1 2.74Å |
| 7 | L | 53.4 | Low | 53.2 | Low | 95 Ų | 95 | 118.1 Ų | 118.1 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.2 | -37.4 | 177.3 | -85.4 | 157.7 | 0 | 0 | 0 | 113.4 | I3 T10 M11 | I3-L7 HydrophobicContact CG2-CD1 4.42Å; I3-L7 PolarHBondContact O-N 3.26Å; L7-T10 WeakPolarHBondContact CA-OG1 3.2Å; L7-T10 PolarHBondContact O-OG1 3.07Å; L7-M11 WeakPolarHBondContact O-CB 3.27Å; L7-M11 WeakPolarHBondContact O-CG 3.44Å; L7-M11 PolarHBondContact O-N 2.87Å |
| 8 | V | 57.5 | Low | 53.4 | Low | 98 Ų | 98 | 121.5 Ų | 121.5 | 59% | 0.594 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.9 | -37.7 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | L4 G12 | L4-V8 WeakPolarHBondContact O-CG2 3.15Å; L4-V8 PolarHBondContact O-N 2.93Å; V8-G12 PolarHBondContact O-N 2.92Å |
| 9 | N | 54.2 | Low | 53.8 | Low | 120 Ų | 120 | 118.1 Ų | 118.1 | 64% | 0.642 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.1 | -30.8 | 177.6 | -84.1 | -8.6 | 0 | 0 | 0 | 113.6 | R5 V6 R13 | R5-N9 PolarHBondContact O-N 2.72Å; V6-N9 PolarHBondContact O-N 2.85Å; N9-R13 PolarHBondContact O-N 3.03Å |
| 10 | T | 53.3 | Low | 54.3 | Low | 72 Ų | 72 | 120.3 Ų | 120.3 | 44% | 0.442 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -76.7 | -38.7 | 173.6 | 45.6 | 0 | 0 | 0 | 0 | 112.2 | V6 L7 R13 V14 | V6-T10 PolarHBondContact O-N 2.58Å; V6-T10 VanDerWaalsContact O-N 3.07Å; V6-T10 PolarHBondContact O-OG1 2.74Å; L7-T10 WeakPolarHBondContact CA-OG1 3.2Å; L7-T10 PolarHBondContact O-OG1 3.07Å; T10-R13 PolarHBondContact O-N 2.78Å; T10-V14 VanDerWaalsContact O-CG2 3.3Å; T10-V14 WeakPolarHBondContact O-CG2 3.47Å; T10-V14 PolarHBondContact O-N 3.27Å |
| 11 | M | 49.7 | Very low | 54.9 | Low | 137 Ų | 137 | 119.8 Ų | 119.8 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.2 | -37.8 | 173.6 | -75 | -178.2 | 67.6 | 0 | 0 | 112.6 | L7 V14 S15 | L7-M11 WeakPolarHBondContact O-CB 3.27Å; L7-M11 WeakPolarHBondContact O-CG 3.44Å; L7-M11 PolarHBondContact O-N 2.87Å; M11-V14 PolarHBondContact O-N 2.66Å; M11-S15 WeakPolarHBondContact O-CB 3.45Å; M11-S15 PolarHBondContact O-N 3.32Å |
| 12 | G | 52.1 | Low | 55.5 | Low | 37 Ų | 37 | 115.9 Ų | 115.9 | 38% | 0.381 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.1 | -45.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V8 S15 T16 | V8-G12 PolarHBondContact O-N 2.92Å; G12-S15 PolarHBondContact O-N 2.96Å; G12-T16 PolarHBondContact O-N 2.87Å; G12-T16 PolarHBondContact O-OG1 2.86Å |
| 13 | R | 51.1 | Low | 56.4 | Low | 197 Ų | 197 | 117.5 Ų | 117.5 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.9 | -40.4 | 178 | -84 | -179.8 | 164.4 | 170.9 | -4 | 113.4 | N9 T10 T16 F17 | N9-R13 PolarHBondContact O-N 3.03Å; T10-R13 PolarHBondContact O-N 2.78Å; R13-T16 WeakPolarHBondContact CA-OG1 3.5Å; R13-T16 PolarHBondContact O-OG1 2.91Å; R13-F17 WeakPolarHBondContact O-CB 3.4Å; R13-F17 PolarHBondContact O-N 3.15Å |
| 14 | V | 51.8 | Low | 57.4 | Low | 89 Ų | 89 | 116.5 Ų | 116.5 | 54% | 0.539 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.3 | -34.8 | 178.3 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | T10 M11 R18 | T10-V14 VanDerWaalsContact O-CG2 3.3Å; T10-V14 WeakPolarHBondContact O-CG2 3.47Å; T10-V14 PolarHBondContact O-N 3.27Å; M11-V14 PolarHBondContact O-N 2.66Å; V14-R18 PolarHBondContact O-N 3.05Å |
| 15 | S | 53 | Low | 58.3 | Low | 84 Ų | 84 | 115.4 Ų | 115.4 | 59% | 0.587 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.9 | -43.3 | 175 | -164.7 | 0 | 0 | 0 | 0 | 111.8 | M11 G12 R18 S19 | M11-S15 WeakPolarHBondContact O-CB 3.45Å; M11-S15 PolarHBondContact O-N 3.32Å; G12-S15 PolarHBondContact O-N 2.96Å; S15-R18 PolarHBondContact O-N 2.71Å; S15-S19 PolarHBondContact O-N 3.33Å; S15-S19 VanDerWaalsContact O-N 3.08Å |
| 16 | T | 52.8 | Low | 59.2 | Low | 68 Ų | 68 | 111.1 Ų | 111.1 | 42% | 0.417 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.9 | -35.4 | 174.4 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | G12 R13 R18 S19 Y20 | G12-T16 PolarHBondContact O-N 2.87Å; G12-T16 PolarHBondContact O-OG1 2.86Å; R13-T16 WeakPolarHBondContact CA-OG1 3.5Å; R13-T16 PolarHBondContact O-OG1 2.91Å; T16-R18 VanDerWaalsContact C-N 3.33Å; T16-R18 PolarHBondContact O-N 3Å; T16-S19 WeakPolarHBondContact CA-OG 3.36Å; T16-S19 PolarHBondContact O-N 3.39Å; T16-S19 PolarHBondContact O-OG 2.91Å; T16-Y20 VanDerWaalsContact O-CD2 3.23Å; T16-Y20 WeakPolarHBondContact O-CD2 3.13Å; T16-Y20 PolarHBondContact O-N 3.4Å |
| 17 | F | 52.3 | Low | 60.1 | Low | 143 Ų | 143 | 110.4 Ų | 110.4 | 63% | 0.627 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.3 | -38.9 | 179.3 | -134.7 | -97.2 | 0 | 0 | 0 | 111.9 | R13 Q21 | R13-F17 WeakPolarHBondContact O-CB 3.4Å; R13-F17 PolarHBondContact O-N 3.15Å; F17-Q21 WeakPolarHBondContact O-CG 3.38Å; F17-Q21 PolarHBondContact O-N 2.98Å; F17-Q21 VanDerWaalsContact O-N 3.16Å |
| 18 | R | 56.4 | Low | 60.9 | Low | 180 Ų | 180 | 108.3 Ų | 108.3 | 68% | 0.679 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.9 | -36.7 | 174.8 | -76.5 | -174.3 | 169.6 | -175.5 | -2.4 | 112.3 | V14 S15 T16 Q21 F22 | V14-R18 PolarHBondContact O-N 3.05Å; S15-R18 PolarHBondContact O-N 2.71Å; T16-R18 VanDerWaalsContact C-N 3.33Å; T16-R18 PolarHBondContact O-N 3Å; R18-Q21 PolarHBondContact O-N 2.84Å; R18-F22 WeakPolarHBondContact O-CD2 3.48Å; R18-F22 PolarHBondContact O-N 3.36Å |
| 19 | S | 60.4 | Low | 61.5 | Low | 56 Ų | 56 | 106.1 Ų | 106.1 | 39% | 0.392 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68 | -40.7 | 177 | 73.1 | 0 | 0 | 0 | 0 | 112.1 | S15 T16 F22 V23 | S15-S19 PolarHBondContact O-N 3.33Å; S15-S19 VanDerWaalsContact O-N 3.08Å; T16-S19 WeakPolarHBondContact CA-OG 3.36Å; T16-S19 PolarHBondContact O-N 3.39Å; T16-S19 PolarHBondContact O-OG 2.91Å; S19-F22 PolarHBondContact O-N 3.5Å; S19-V23 VanDerWaalsContact O-CG2 3.3Å; S19-V23 WeakPolarHBondContact O-CG2 3.38Å; S19-V23 PolarHBondContact O-N 3.43Å |
| 20 | Y | 63.3 | Low | 62.5 | Low | 163 Ų | 163 | 105.4 Ų | 105.4 | 64% | 0.639 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.1 | -38.9 | 175.7 | -88.4 | -78.4 | 0 | 0 | 0 | 112.3 | T16 V23 L24 | T16-Y20 VanDerWaalsContact O-CD2 3.23Å; T16-Y20 WeakPolarHBondContact O-CD2 3.13Å; T16-Y20 PolarHBondContact O-N 3.4Å; Y20-V23 PolarHBondContact O-N 3.06Å; Y20-L24 WeakPolarHBondContact O-CB 3.18Å; Y20-L24 PolarHBondContact O-N 3.5Å |
| 21 | Q | 68.1 | Low | 63.2 | Low | 110 Ų | 110 | 104.8 Ų | 104.8 | 51% | 0.514 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.9 | -38.4 | 173.8 | -76.5 | -175.3 | -30.3 | 0 | 0 | 112.5 | F17 R18 L24 L25 | F17-Q21 WeakPolarHBondContact O-CG 3.38Å; F17-Q21 PolarHBondContact O-N 2.98Å; F17-Q21 VanDerWaalsContact O-N 3.16Å; R18-Q21 PolarHBondContact O-N 2.84Å; Q21-L24 PolarHBondContact O-N 3.33Å; Q21-L25 WeakPolarHBondContact O-CB 3.17Å; Q21-L25 VanDerWaalsContact O-CG 3.31Å; Q21-L25 WeakPolarHBondContact O-CG 3.32Å; Q21-L25 PolarHBondContact O-N 2.79Å |
| 22 | F | 67.9 | Low | 64 | Low | 155 Ų | 155 | 103 Ų | 103 | 68% | 0.68 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | 173.8 | -102.1 | -83.7 | 0 | 0 | 0 | 112.4 | R18 S19 L25 L26 | R18-F22 WeakPolarHBondContact O-CD2 3.48Å; R18-F22 PolarHBondContact O-N 3.36Å; S19-F22 PolarHBondContact O-N 3.5Å; F22-L25 PolarHBondContact O-N 3.14Å; F22-L26 VanDerWaalsContact O-CB 3.28Å; F22-L26 WeakPolarHBondContact O-CB 3.25Å; F22-L26 PolarHBondContact O-N 2.69Å |
| 23 | V | 74.1 | Confident | 64.7 | Low | 85 Ų | 85 | 104.8 Ų | 104.8 | 52% | 0.515 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -42.8 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | S19 Y20 L26 T27 | S19-V23 VanDerWaalsContact O-CG2 3.3Å; S19-V23 WeakPolarHBondContact O-CG2 3.38Å; S19-V23 PolarHBondContact O-N 3.43Å; Y20-V23 PolarHBondContact O-N 3.06Å; V23-L26 PolarHBondContact O-N 2.98Å; V23-T27 PolarHBondContact O-N 3.2Å; V23-T27 PolarHBondContact O-OG1 3.41Å |
| 24 | L | 73.2 | Confident | 65.1 | Low | 119 Ų | 119 | 97.4 Ų | 97.4 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | 176.6 | -111.7 | 145 | 0 | 0 | 0 | 112.4 | Y20 Q21 L26 T27 A28 | Y20-L24 WeakPolarHBondContact O-CB 3.18Å; Y20-L24 PolarHBondContact O-N 3.5Å; Q21-L24 PolarHBondContact O-N 3.33Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-T27 VanDerWaalsContact CA-OG1 3.26Å; L24-T27 WeakPolarHBondContact CA-OG1 3.22Å; L24-T27 PolarHBondContact O-N 3.33Å; L24-T27 PolarHBondContact O-OG1 2.83Å; L24-A28 VanDerWaalsContact O-CB 3.32Å; L24-A28 WeakPolarHBondContact O-CB 3.18Å; L24-A28 PolarHBondContact O-N 2.8Å |
| 25 | L | 71.1 | Confident | 65.4 | Low | 119 Ų | 119 | 100.9 Ų | 100.9 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 175.7 | -76.3 | 168.2 | 0 | 0 | 0 | 111.8 | Q21 F22 A28 A29 | Q21-L25 WeakPolarHBondContact O-CB 3.17Å; Q21-L25 VanDerWaalsContact O-CG 3.31Å; Q21-L25 WeakPolarHBondContact O-CG 3.32Å; Q21-L25 PolarHBondContact O-N 2.79Å; F22-L25 PolarHBondContact O-N 3.14Å; L25-A28 PolarHBondContact O-N 3.22Å; L25-A29 VanDerWaalsContact O-CB 3.28Å; L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 3.48Å |
| 26 | L | 72.4 | Confident | 65.3 | Low | 114 Ų | 114 | 105.6 Ų | 105.6 | 60% | 0.597 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.2 | -42.1 | 176.1 | -162.9 | 78.9 | 0 | 0 | 0 | 111.2 | F22 V23 L24 A29 L30 | F22-L26 VanDerWaalsContact O-CB 3.28Å; F22-L26 WeakPolarHBondContact O-CB 3.25Å; F22-L26 PolarHBondContact O-N 2.69Å; V23-L26 PolarHBondContact O-N 2.98Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L26-A29 PolarHBondContact O-N 3.16Å; L26-L30 HydrophobicContact CG-CD1 4.31Å; L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.28Å; L26-L30 PolarHBondContact O-N 2.82Å |
| 27 | T | 74.6 | Confident | 65 | Low | 77 Ų | 77 | 109.4 Ų | 109.4 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.8 | -36.8 | 174.5 | 44.3 | 0 | 0 | 0 | 0 | 112.4 | V23 L24 L30 A31 | V23-T27 PolarHBondContact O-N 3.2Å; V23-T27 PolarHBondContact O-OG1 3.41Å; L24-T27 VanDerWaalsContact CA-OG1 3.26Å; L24-T27 WeakPolarHBondContact CA-OG1 3.22Å; L24-T27 PolarHBondContact O-N 3.33Å; L24-T27 PolarHBondContact O-OG1 2.83Å; T27-L30 PolarHBondContact O-N 3.46Å; T27-A31 VanDerWaalsContact O-CB 3.25Å; T27-A31 WeakPolarHBondContact O-CB 3.46Å; T27-A31 PolarHBondContact O-N 2.95Å |
| 28 | A | 70 | Confident | 65 | Low | 51 Ų | 51 | 110.5 Ų | 110.5 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.7 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L24 L25 A31 V32 | L24-A28 VanDerWaalsContact O-CB 3.32Å; L24-A28 WeakPolarHBondContact O-CB 3.18Å; L24-A28 PolarHBondContact O-N 2.8Å; L25-A28 PolarHBondContact O-N 3.22Å; A28-A31 PolarHBondContact O-N 3.08Å; A28-V32 VanDerWaalsContact O-CG2 3.31Å; A28-V32 WeakPolarHBondContact O-CG2 3.36Å; A28-V32 PolarHBondContact O-N 3.26Å |
| 29 | A | 70.7 | Confident | 64.2 | Low | 52 Ų | 52 | 104 Ų | 104 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.8 | -44.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L25 L26 A31 V32 V33 | L25-A29 VanDerWaalsContact O-CB 3.28Å; L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 3.48Å; L26-A29 PolarHBondContact O-N 3.16Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.23Å; A29-V32 PolarHBondContact O-N 2.78Å; A29-V33 WeakPolarHBondContact O-CB 3.42Å; A29-V33 VanDerWaalsContact O-CG2 3.23Å; A29-V33 WeakPolarHBondContact O-CG2 3.29Å; A29-V33 PolarHBondContact O-N 3.45Å |
| 30 | L | 74.1 | Confident | 63.4 | Low | 105 Ų | 105 | 104.2 Ų | 104.2 | 55% | 0.55 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -34.6 | 175.2 | -73.9 | 169 | 0 | 0 | 0 | 112.3 | L26 T27 V33 A34 | L26-L30 HydrophobicContact CG-CD1 4.31Å; L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 VanDerWaalsContact O-CG 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.28Å; L26-L30 PolarHBondContact O-N 2.82Å; T27-L30 PolarHBondContact O-N 3.46Å; L30-V33 PolarHBondContact O-N 2.03Å; L30-A34 WeakPolarHBondContact O-CB 3.33Å; L30-A34 PolarHBondContact O-N 3.04Å |
| 31 | A | 69.2 | Low | 62.3 | Low | 59 Ų | 59 | 104.7 Ų | 104.7 | 49% | 0.488 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.6 | -37.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T27 A28 A29 A34 F35 | T27-A31 VanDerWaalsContact O-CB 3.25Å; T27-A31 WeakPolarHBondContact O-CB 3.46Å; T27-A31 PolarHBondContact O-N 2.95Å; A28-A31 PolarHBondContact O-N 3.08Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.23Å; A31-A34 PolarHBondContact O-N 2.77Å; A31-F35 VanDerWaalsContact O-CB 3.25Å; A31-F35 WeakPolarHBondContact O-CB 3.28Å; A31-F35 PolarHBondContact O-N 3.05Å |
| 32 | V | 66.1 | Low | 61.2 | Low | 101 Ų | 101 | 109.4 Ų | 109.4 | 61% | 0.612 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.3 | -42.2 | 172.9 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | A28 A29 F35 Y36 | A28-V32 VanDerWaalsContact O-CG2 3.31Å; A28-V32 WeakPolarHBondContact O-CG2 3.36Å; A28-V32 PolarHBondContact O-N 3.26Å; A29-V32 PolarHBondContact O-N 2.78Å; V32-F35 PolarHBondContact O-N 2.97Å; V32-Y36 WeakPolarHBondContact O-CB 3Å; V32-Y36 PolarHBondContact O-N 3.18Å |
| 33 | V | 65.2 | Low | 60 | Low | 74 Ų | 74 | 109 Ų | 109 | 45% | 0.448 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.2 | -44.9 | 173.9 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | A29 L30 F35 Y36 F37 | A29-V33 WeakPolarHBondContact O-CB 3.42Å; A29-V33 VanDerWaalsContact O-CG2 3.23Å; A29-V33 WeakPolarHBondContact O-CG2 3.29Å; A29-V33 PolarHBondContact O-N 3.45Å; L30-V33 PolarHBondContact O-N 2.03Å; V33-F35 VanDerWaalsContact C-N 3.35Å; V33-F35 PolarHBondContact O-N 3.31Å; V33-Y36 PolarHBondContact O-N 3.37Å; V33-F37 HydrophobicContact CG1-CD2 3.67Å; V33-F37 HydrophobicContact CG1-CE2 4.04Å; V33-F37 WeakPolarHBondContact O-CB 3.35Å; V33-F37 WeakPolarHBondContact O-CD2 3.41Å; V33-F37 PolarHBondContact O-N 3.03Å |
| 34 | A | 59.7 | Low | 58.5 | Low | 41 Ų | 41 | 110.1 Ų | 110.1 | 34% | 0.339 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65 | -37.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L30 A31 Y36 F38 G39 | L30-A34 WeakPolarHBondContact O-CB 3.33Å; L30-A34 PolarHBondContact O-N 3.04Å; A31-A34 PolarHBondContact O-N 2.77Å; A34-Y36 VanDerWaalsContact C-N 3.33Å; A34-F38 HydrophobicContact CB-CD2 4.19Å; A34-F38 WeakPolarHBondContact O-CA 2.99Å; A34-F38 WeakPolarHBondContact O-CB 3.49Å; A34-F38 PolarHBondContact O-N 3.27Å; A34-G39 PolarHBondContact O-N 3.33Å |
| 35 | F | 59.5 | Low | 56.9 | Low | 163 Ų | 163 | 108.4 Ų | 108.4 | 72% | 0.715 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.8 | -35.1 | 173.4 | -168.4 | -92.9 | 0 | 0 | 0 | 112 | A31 V32 V33 G39 | A31-F35 VanDerWaalsContact O-CB 3.25Å; A31-F35 WeakPolarHBondContact O-CB 3.28Å; A31-F35 PolarHBondContact O-N 3.05Å; V32-F35 PolarHBondContact O-N 2.97Å; V33-F35 VanDerWaalsContact C-N 3.35Å; V33-F35 PolarHBondContact O-N 3.31Å; F35-G39 CarbonylContact O-C 3.51Å; F35-G39 WeakPolarHBondContact O-CA 3.35Å; F35-G39 PolarHBondContact O-N 3.39Å |
| 36 | Y | 50.8 | Low | 55.6 | Low | 182 Ų | 182 | 106.9 Ų | 106.9 | 71% | 0.714 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -75.5 | -36.4 | 177.4 | -160 | -92.9 | 0 | 0 | 0 | 112.7 | V32 V33 A34 S40 | V32-Y36 WeakPolarHBondContact O-CB 3Å; V32-Y36 PolarHBondContact O-N 3.18Å; V33-Y36 PolarHBondContact O-N 3.37Å; A34-Y36 VanDerWaalsContact C-N 3.33Å; Y36-S40 WeakPolarHBondContact O-CB 3.38Å; Y36-S40 PolarHBondContact O-OG 2.85Å |
| 37 | F | 47 | Very low | 54 | Low | 149 Ų | 149 | 104 Ų | 104 | 65% | 0.654 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -90.1 | -33 | -177.9 | -85.8 | -86.5 | 0 | 0 | 0 | 114.2 | V33 | V33-F37 HydrophobicContact CG1-CD2 3.67Å; V33-F37 HydrophobicContact CG1-CE2 4.04Å; V33-F37 WeakPolarHBondContact O-CB 3.35Å; V33-F37 WeakPolarHBondContact O-CD2 3.41Å; V33-F37 PolarHBondContact O-N 3.03Å |
| 38 | F | 51.5 | Low | 52.6 | Low | 165 Ų | 165 | 101.6 Ų | 101.6 | 72% | 0.724 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -107.9 | -26.2 | 178.8 | -64.5 | -81.3 | 0 | 0 | 0 | 113.1 | A34 S40 | A34-F38 HydrophobicContact CB-CD2 4.19Å; A34-F38 WeakPolarHBondContact O-CA 2.99Å; A34-F38 WeakPolarHBondContact O-CB 3.49Å; A34-F38 PolarHBondContact O-N 3.27Å; F38-S40 VanDerWaalsContact C-N 3.31Å |
| 39 | G | 40 | Very low | 51.4 | Low | 43 Ų | 43 | 100.7 Ų | 100.7 | 44% | 0.443 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -5.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A34 F35 E41 | A34-G39 PolarHBondContact O-N 3.33Å; F35-G39 CarbonylContact O-C 3.51Å; F35-G39 WeakPolarHBondContact O-CA 3.35Å; F35-G39 PolarHBondContact O-N 3.39Å; G39-E41 VanDerWaalsContact C-N 3.34Å |
| 40 | S | 42.8 | Very low | 50.1 | Low | 62 Ų | 62 | 104.1 Ų | 104.1 | 43% | 0.434 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 11.2 | 172.8 | 59 | 0 | 0 | 0 | 0 | 114 | Y36 F38 R42 | Y36-S40 WeakPolarHBondContact O-CB 3.38Å; Y36-S40 PolarHBondContact O-OG 2.85Å; F38-S40 VanDerWaalsContact C-N 3.31Å; S40-R42 PolarHBondContact O-N 2.71Å |
| 41 | E | 40.4 | Very low | 48.9 | Very low | 172 Ų | 172 | 106.4 Ų | 106.4 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | trans | -72.7 | 36.2 | 164.7 | -72.1 | -159.8 | 158.6 | 0 | 0 | 113.2 | G39 | G39-E41 VanDerWaalsContact C-N 3.34Š| ||
| 42 | R | 46 | Very low | 48 | Very low | 210 Ų | 210 | 104.3 Ų | 104.3 | 79% | 0.792 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -103.4 | 113.8 | 152.6 | -76 | -172.3 | 176.9 | -174.6 | -0.3 | 105.8 | S40 D44 | S40-R42 PolarHBondContact O-N 2.71Å; R42-D44 PolarHBondContact O-N 3.12Å |
| 43 | H | 42.7 | Very low | 47.2 | Very low | 146 Ų | 146 | 106.5 Ų | 106.5 | 68% | 0.676 | 52% | 0.517 | S | S | * | . | trans | -46.8 | 99.1 | 178.4 | -65.2 | -65.4 | 0 | 0 | 0 | 111.6 | ||||
| 44 | D | 41.3 | Very low | 46 | Very low | 108 Ų | 108 | 108.3 Ų | 108.3 | 58% | 0.578 | 52% | 0.521 | S | S | * | . | trans | -66.1 | 147.2 | 174.9 | -80.1 | -34.3 | 0 | 0 | 0 | 109.7 | R42 S46 S47 T48 | R42-D44 PolarHBondContact O-N 3.12Å; D44-S46 PolarHBondContact O-N 3.2Å; D44-S47 PolarHBondContact N-OG 3.18Å; D44-S47 WeakPolarHBondContact O-CA 3.41Å; D44-S47 WeakPolarHBondContact O-CB 3.33Å; D44-S47 PolarHBondContact O-N 2.84Å; D44-S47 PolarHBondContact O-OG 3.22Å; D44-T48 PolarHBondContact O-N 2.9Å | ||
| 45 | F | 39.7 | Very low | 45.1 | Very low | 83 Ų | 83 | 108.2 Ų | 108.2 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -44.1 | -41.5 | 177.4 | 176.1 | -99.3 | 0 | 0 | 0 | 112.2 | S47 T49 W272 | F45-S47 PolarHBondContact O-N 3.03Å; F45-T49 WeakPolarHBondContact O-CB 3.23Å; F45-T49 PolarHBondContact O-N 2.92Å; F45-T49 PolarHBondContact O-OG1 2.98Å; F45-W272 HydrophobicContact CB-CZ2 4.32Å; F45-W272 HydrophobicContact CD1-CE3 4.38Å; F45-W272 AromaticContact CD1-CH2 3.83Å; F45-W272 HydrophobicContact CD1-CH2 3.83Å; F45-W272 HydrophobicContact CD1-CZ2 4.43Å; F45-W272 AromaticContact CD1-CZ3 3.8Å; F45-W272 HydrophobicContact CD1-CZ3 3.8Å; F45-W272 AromaticContact CD2-CD2 3.78Å; F45-W272 HydrophobicContact CD2-CD2 3.78Å; F45-W272 AromaticContact CD2-CE3 3.46Å; F45-W272 HydrophobicContact CD2-CE3 3.46Å; F45-W272 VanDerWaalsContact CD2-CE3 3.46Å; F45-W272 HydrophobicContact CD2-CG 4.44Å; F45-W272 HydrophobicContact CD2-CH2 4.28Å; F45-W272 AromaticContact CD2-CZ3 3.74Å; F45-W272 HydrophobicContact CD2-CZ3 3.74Å; F45-W272 HydrophobicContact CE1-CE3 4.27Å; F45-W272 HydrophobicContact CE1-CH2 4.02Å; F45-W272 AromaticContact CE1-CZ3 3.6Å; F45-W272 HydrophobicContact CE1-CZ3 3.6Å; F45-W272 HydrophobicContact CE2-CD2 4.1Å; F45-W272 AromaticContact CE2-CE3 3.32Å; F45-W272 HydrophobicContact CE2-CE3 3.32Å; F45-W272 HydrophobicContact CE2-CH2 4.45Å; F45-W272 AromaticContact CE2-CZ3 3.55Å; F45-W272 HydrophobicContact CE2-CZ3 3.55Å; F45-W272 HydrophobicContact CG-CD2 4.25Å; F45-W272 HydrophobicContact CG-CE3 4.01Å; F45-W272 AromaticContact CG-CH2 3.97Å; F45-W272 HydrophobicContact CG-CH2 3.97Å; F45-W272 HydrophobicContact CG-CZ2 4.2Å; F45-W272 AromaticContact CG-CZ3 3.87Å; F45-W272 HydrophobicContact CG-CZ3 3.87Å; F45-W272 AromaticContact CZ-CE3 3.76Å; F45-W272 HydrophobicContact CZ-CE3 3.76Å; F45-W272 HydrophobicContact CZ-CH2 4.33Å; F45-W272 AromaticContact CZ-CZ3 3.47Å; F45-W272 HydrophobicContact CZ-CZ3 3.47Å; F45-W272 VanDerWaalsContact CZ-CZ3 3.47Å |
| 46 | S | 43.9 | Very low | 44.3 | Very low | 87 Ų | 87 | 104.3 Ų | 104.3 | 61% | 0.608 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.8 | -40.4 | 176.6 | -170.1 | 0 | 0 | 0 | 0 | 113.1 | D44 K50 | D44-S46 PolarHBondContact O-N 3.2Å; S46-K50 WeakPolarHBondContact O-CB 3.44Å; S46-K50 PolarHBondContact O-N 2.85Å |
| 47 | S | 40 | Very low | 43.5 | Very low | 54 Ų | 54 | 98.1 Ų | 98.1 | 38% | 0.378 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.7 | -41.4 | -179 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | D44 F45 R51 | D44-S47 PolarHBondContact N-OG 3.18Å; D44-S47 WeakPolarHBondContact O-CA 3.41Å; D44-S47 WeakPolarHBondContact O-CB 3.33Å; D44-S47 PolarHBondContact O-N 2.84Å; D44-S47 PolarHBondContact O-OG 3.22Å; F45-S47 PolarHBondContact O-N 3.03Å; S47-R51 VanDerWaalsContact O-CB 3.26Å; S47-R51 WeakPolarHBondContact O-CB 3.11Å; S47-R51 PolarHBondContact O-N 3.41Å |
| 48 | T | 43.6 | Very low | 42.7 | Very low | 27 Ų | 27 | 93.9 Ų | 93.9 | 17% | 0.166 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -73 | -44.2 | 178.6 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | D44 R51 I52 | D44-T48 PolarHBondContact O-N 2.9Å; T48-R51 CarbonylContact O-C 3.45Å; T48-R51 PolarHBondContact O-N 2.87Å; T48-I52 HydrophobicContact CG2-CD1 4.04Å; T48-I52 WeakPolarHBondContact O-CB 3.47Å; T48-I52 WeakPolarHBondContact O-CD1 3.25Å; T48-I52 WeakPolarHBondContact O-CG1 3.5Å; T48-I52 PolarHBondContact O-N 3.34Å |
| 49 | T | 45.8 | Very low | 42.1 | Very low | 31 Ų | 31 | 92.7 Ų | 92.7 | 19% | 0.19 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 175.5 | -58 | 0 | 0 | 0 | 0 | 111.9 | F45 I52 K53 | F45-T49 WeakPolarHBondContact O-CB 3.23Å; F45-T49 PolarHBondContact O-N 2.92Å; F45-T49 PolarHBondContact O-OG1 2.98Å; T49-I52 PolarHBondContact O-N 3.21Å; T49-K53 WeakPolarHBondContact O-CB 3.42Å; T49-K53 WeakPolarHBondContact O-CG 3.46Å; T49-K53 PolarHBondContact O-N 3.44Å |
| 50 | K | 43.2 | Very low | 41.9 | Very low | 124 Ų | 124 | 94.9 Ų | 94.9 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 172.6 | -170.9 | 177.3 | -175.2 | -178.4 | 0 | 111.3 | S46 K53 Q54 | S46-K50 WeakPolarHBondContact O-CB 3.44Å; S46-K50 PolarHBondContact O-N 2.85Å; K50-K53 PolarHBondContact O-N 2.95Å; K50-Q54 HydrophobicContact CG-CG 4.45Å; K50-Q54 WeakPolarHBondContact O-CB 3.35Å; K50-Q54 WeakPolarHBondContact O-CG 3.28Å; K50-Q54 PolarHBondContact O-N 2.94Å |
| 51 | R | 47.9 | Very low | 41.3 | Very low | 154 Ų | 154 | 97.1 Ų | 97.1 | 58% | 0.581 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.4 | -36.7 | 172.6 | -163.3 | 176.5 | -174 | -179 | 1.4 | 111.9 | S47 T48 Q54 T55 | S47-R51 VanDerWaalsContact O-CB 3.26Å; S47-R51 WeakPolarHBondContact O-CB 3.11Å; S47-R51 PolarHBondContact O-N 3.41Å; T48-R51 CarbonylContact O-C 3.45Å; T48-R51 PolarHBondContact O-N 2.87Å; R51-Q54 PolarHBondContact O-N 3.28Å; R51-T55 WeakPolarHBondContact O-CA 3.25Å; R51-T55 WeakPolarHBondContact O-CB 3.38Å; R51-T55 PolarHBondContact O-N 3.12Å; R51-T55 PolarHBondContact O-OG1 2.9Å |
| 52 | I | 51.6 | Low | 40.6 | Very low | 15 Ų | 15 | 96 Ų | 96 | 8% | 0.077 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -61.2 | -52.8 | 171.7 | -71.8 | 159.2 | 0 | 0 | 0 | 109.8 | T48 T49 Q54 T55 Q56 W365 W366 | T48-I52 HydrophobicContact CG2-CD1 4.04Å; T48-I52 WeakPolarHBondContact O-CB 3.47Å; T48-I52 WeakPolarHBondContact O-CD1 3.25Å; T48-I52 WeakPolarHBondContact O-CG1 3.5Å; T48-I52 PolarHBondContact O-N 3.34Å; T49-I52 PolarHBondContact O-N 3.21Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 2.94Å; I52-T55 PolarHBondContact O-N 3.44Å; I52-Q56 VanDerWaalsContact O-CB 3.26Å; I52-Q56 WeakPolarHBondContact O-CB 3.48Å; I52-Q56 WeakPolarHBondContact O-CG 3.35Å; I52-Q56 PolarHBondContact O-N 3.16Å; I52-W365 HydrophobicContact CD1-CH2 4.41Å; I52-W365 HydrophobicContact CG1-CH2 3.69Å; I52-W365 HydrophobicContact CG1-CZ3 4.43Å; I52-W366 HydrophobicContact CD1-CH2 3.67Å; I52-W366 HydrophobicContact CD1-CZ2 4.46Å; I52-W366 HydrophobicContact CD1-CZ3 4.28Å |
| 53 | K | 48.2 | Very low | 39.9 | Very low | 147 Ų | 147 | 93.2 Ų | 93.2 | 64% | 0.639 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.9 | -42.5 | 176.8 | -74.3 | -177 | 178.4 | -172.1 | 0 | 111.9 | T49 K50 A57 | T49-K53 WeakPolarHBondContact O-CB 3.42Å; T49-K53 WeakPolarHBondContact O-CG 3.46Å; T49-K53 PolarHBondContact O-N 3.44Å; K50-K53 PolarHBondContact O-N 2.95Å; K53-A57 WeakPolarHBondContact O-CB 3.29Å; K53-A57 PolarHBondContact O-N 3.4Å |
| 54 | Q | 40.3 | Very low | 39.4 | Very low | 111 Ų | 111 | 94.7 Ų | 94.7 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -76.7 | -37.6 | -178.9 | -75.1 | 177.1 | -29.6 | 0 | 0 | 113 | K50 R51 I52 S58 | K50-Q54 HydrophobicContact CG-CG 4.45Å; K50-Q54 WeakPolarHBondContact O-CB 3.35Å; K50-Q54 WeakPolarHBondContact O-CG 3.28Å; K50-Q54 PolarHBondContact O-N 2.94Å; R51-Q54 PolarHBondContact O-N 3.28Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 2.94Å; Q54-S58 WeakPolarHBondContact O-CA 3.17Å; Q54-S58 WeakPolarHBondContact O-CB 3.42Å; Q54-S58 PolarHBondContact O-N 2.88Å; Q54-S58 PolarHBondContact O-OG 3.24Å |
| 55 | T | 40.7 | Very low | 39 | Very low | 39 Ų | 39 | 95.5 Ų | 95.5 | 24% | 0.239 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -75.2 | -35.7 | 178.7 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | R51 I52 S58 H59 | R51-T55 WeakPolarHBondContact O-CA 3.25Å; R51-T55 WeakPolarHBondContact O-CB 3.38Å; R51-T55 PolarHBondContact O-N 3.12Å; R51-T55 PolarHBondContact O-OG1 2.9Å; I52-T55 PolarHBondContact O-N 3.44Å; T55-S58 WeakPolarHBondContact CA-OG 3.45Å; T55-S58 PolarHBondContact O-OG 3.29Å; T55-H59 VanDerWaalsContact O-CB 3.31Å; T55-H59 WeakPolarHBondContact O-CB 3.31Å; T55-H59 PolarHBondContact O-N 3.13Å |
| 56 | Q | 42.7 | Very low | 38.6 | Very low | 81 Ų | 81 | 95.8 Ų | 95.8 | 38% | 0.379 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.2 | -41.4 | 169.8 | -73 | 177.9 | -20.2 | 0 | 0 | 111.7 | I52 N60 H333 | I52-Q56 VanDerWaalsContact O-CB 3.26Å; I52-Q56 WeakPolarHBondContact O-CB 3.48Å; I52-Q56 WeakPolarHBondContact O-CG 3.35Å; I52-Q56 PolarHBondContact O-N 3.16Å; Q56-N60 WeakPolarHBondContact O-CB 3.43Å; Q56-N60 PolarHBondContact O-N 3.36Å; Q56-N60 VanDerWaalsContact O-N 3.1Å; Q56-H333 PolarHBondContact NE2-NE2 3.44Å |
| 57 | A | 35.3 | Very low | 37.8 | Very low | 53 Ų | 53 | 97.9 Ų | 97.9 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K53 N60 T61 | K53-A57 WeakPolarHBondContact O-CB 3.29Å; K53-A57 PolarHBondContact O-N 3.4Å; A57-N60 CarbonylContact O-C 3.52Å; A57-N60 PolarHBondContact O-N 2.9Å; A57-T61 WeakPolarHBondContact O-CG2 3.42Å; A57-T61 PolarHBondContact O-N 3.06Å; A57-T61 PolarHBondContact O-OG1 3.09Å |
| 58 | S | 30.2 | Very low | 37.6 | Very low | 60 Ų | 60 | 102.9 Ų | 102.9 | 42% | 0.42 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -79.3 | -27.4 | -179 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | Q54 T55 N60 T61 | Q54-S58 WeakPolarHBondContact O-CA 3.17Å; Q54-S58 WeakPolarHBondContact O-CB 3.42Å; Q54-S58 PolarHBondContact O-N 2.88Å; Q54-S58 PolarHBondContact O-OG 3.24Å; T55-S58 WeakPolarHBondContact CA-OG 3.45Å; T55-S58 PolarHBondContact O-OG 3.29Å; S58-N60 VanDerWaalsContact C-N 3.27Å; S58-T61 WeakPolarHBondContact CA-OG1 3.46Å; S58-T61 PolarHBondContact O-OG1 3.06Å |
| 59 | H | 39 | Very low | 36.9 | Very low | 140 Ų | 140 | 105.6 Ų | 105.6 | 65% | 0.648 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.5 | -27.5 | 164.6 | -96.2 | -65.7 | 0 | 0 | 0 | 112.4 | T55 | T55-H59 VanDerWaalsContact O-CB 3.31Å; T55-H59 WeakPolarHBondContact O-CB 3.31Å; T55-H59 PolarHBondContact O-N 3.13Å |
| 60 | N | 35.7 | Very low | 36.1 | Very low | 89 Ų | 89 | 111 Ų | 111 | 48% | 0.476 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -83.8 | -31.8 | 174.6 | -75.4 | -3.8 | 0 | 0 | 0 | 113.3 | Q56 A57 S58 N62 R63 | Q56-N60 WeakPolarHBondContact O-CB 3.43Å; Q56-N60 PolarHBondContact O-N 3.36Å; Q56-N60 VanDerWaalsContact O-N 3.1Å; A57-N60 CarbonylContact O-C 3.52Å; A57-N60 PolarHBondContact O-N 2.9Å; S58-N60 VanDerWaalsContact C-N 3.27Å; N60-N62 VanDerWaalsContact C-N 3.29Å; N60-N62 PolarHBondContact O-N 3.34Å; N60-R63 PolarHBondContact O-N 3.28Å |
| 61 | T | 29 | Very low | 35.5 | Very low | 109 Ų | 109 | 112.4 Ų | 112.4 | 67% | 0.669 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -74.5 | -15.1 | 178.7 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | A57 S58 | A57-T61 WeakPolarHBondContact O-CG2 3.42Å; A57-T61 PolarHBondContact O-N 3.06Å; A57-T61 PolarHBondContact O-OG1 3.09Å; S58-T61 WeakPolarHBondContact CA-OG1 3.46Å; S58-T61 PolarHBondContact O-OG1 3.06Å |
| 62 | N | 25.7 | Very low | 34.6 | Very low | 149 Ų | 149 | 111.6 Ų | 111.6 | 80% | 0.797 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 12.1 | 175.4 | -91.1 | -11.4 | 0 | 0 | 0 | 113.5 | N60 | N60-N62 VanDerWaalsContact C-N 3.29Å; N60-N62 PolarHBondContact O-N 3.34Å |
| 63 | R | 32.3 | Very low | 33.4 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 57% | 0.566 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -114.1 | 133.9 | 164.7 | -74.6 | -176.9 | 166.8 | 175.1 | -2.2 | 107.6 | N60 D65 | N60-R63 PolarHBondContact O-N 3.28Å; R63-D65 PolarHBondContact O-N 3.4Å |
| 64 | N | 32.2 | Very low | 32.5 | Very low | 177 Ų | 177 | 122.9 Ų | 122.9 | 95% | 0.947 | 66% | 0.656 | S | S | * | * | trans | -59.8 | 79.2 | 178.3 | -75.7 | -22.2 | 0 | 0 | 0 | 111 | ||||
| 65 | D | 32.5 | Very low | 31.8 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 67% | 0.668 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 118 | 170.5 | -80.1 | -24.3 | 0 | 0 | 0 | 108.7 | R63 D67 | R63-D65 PolarHBondContact O-N 3.4Å; D65-D67 PolarHBondContact O-N 3.29Å |
| 66 | A | 31.7 | Very low | 31.2 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 121.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | L68 | A66-L68 PolarHBondContact O-N 3.39Š|
| 67 | D | 27.1 | Very low | 30.6 | Very low | 131 Ų | 131 | 132 Ų | 132 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 118.2 | 173.4 | -168.6 | 6.4 | 0 | 0 | 0 | 110.5 | D65 S69 | D65-D67 PolarHBondContact O-N 3.29Å; D67-S69 PolarHBondContact OD1-N 3.36Å; D67-S69 PolarHBondContact OD1-OG 2.89Å |
| 68 | L | 35.3 | Very low | 30.2 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | -98.1 | 23.2 | -179.1 | -88.7 | 163.7 | 0 | 0 | 0 | 112.3 | A66 | A66-L68 PolarHBondContact O-N 3.39Š| ||
| 69 | S | 29.1 | Very low | 29.9 | Very low | 85 Ų | 85 | 139.9 Ų | 139.9 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | trans | -88.2 | 9.4 | 180 | 81.2 | 0 | 0 | 0 | 0 | 115.4 | D67 | D67-S69 PolarHBondContact OD1-N 3.36Å; D67-S69 PolarHBondContact OD1-OG 2.89Å | ||
| 70 | L | 29.3 | Very low | 29.1 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -132.6 | 79.5 | -177.2 | -87.7 | 142.3 | 0 | 0 | 0 | 110.4 | ||
| 71 | D | 29.8 | Very low | 28.5 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 178 | 80.3 | 137.3 | -91.2 | -23.6 | 0 | 0 | 0 | 109.7 | ||||
| 72 | T | 29.5 | Very low | 28.6 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -130.7 | 73.3 | 159.9 | -19 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 73 | R | 25.7 | Very low | 28.5 | Very low | 237 Ų | 237 | 147.3 Ų | 147.3 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | trans | -106.4 | 98.8 | 159.4 | -81.8 | -170.8 | 177.3 | 179.8 | 1.6 | 108.3 | V75 | R73-V75 PolarHBondContact O-N 3.06Š| ||
| 74 | L | 28.8 | Very low | 28.3 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -49.4 | 122.7 | 165.8 | -68.9 | 157.9 | 0 | 0 | 0 | 109.7 | ||||
| 75 | V | 25.6 | Very low | 28.3 | Very low | 131 Ų | 131 | 149.5 Ų | 149.5 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -124.8 | 110.1 | 161.8 | 179.3 | 0 | 0 | 0 | 0 | 106.7 | R73 | R73-V75 PolarHBondContact O-N 3.06Š| ||
| 76 | H | 29.5 | Very low | 28 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -66.6 | 148 | 163.7 | -86.1 | -69.1 | 0 | 0 | 0 | 109.9 | ||||
| 77 | P | 30.2 | Very low | 28.6 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | -132.5 | 148.7 | 122.1 | 18.3 | 1.3 | 0 | 0 | 0 | 113.6 | |||||
| 78 | E | 25.2 | Very low | 29.2 | Very low | 193 Ų | 193 | 154.9 Ų | 154.9 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -73 | 150.5 | 168.9 | -62.4 | 178.1 | 145.3 | 0 | 0 | 111.7 | ||||
| 79 | G | 23.8 | Very low | 29.2 | Very low | 85 Ų | 85 | 150.9 Ų | 150.9 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | trans | 109.9 | 118.6 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 80 | G | 22.9 | Very low | 30 | Very low | 73 Ų | 73 | 151.1 Ų | 151.1 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | 116.4 | 93.1 | 139.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 81 | E | 24.2 | Very low | 30.6 | Very low | 199 Ų | 199 | 148 Ų | 148 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | 73.2 | 138.3 | 137.7 | -61.7 | -176 | 168.9 | 0 | 0 | 122.1 | ||||
| 82 | L | 30 | Very low | 31.6 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | -64.6 | 135.3 | 177.6 | -81.5 | 82.9 | 0 | 0 | 0 | 111.6 | ||||
| 83 | E | 24.5 | Very low | 32.4 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | -140.3 | 156.8 | 139.2 | -76.7 | -158.9 | 152.7 | 0 | 0 | 111.2 | ||||
| 84 | R | 28.1 | Very low | 33.8 | Very low | 223 Ų | 223 | 138.4 Ų | 138.4 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | trans | -108.2 | 148.3 | -156.3 | -146.2 | 176 | 160.7 | -174.7 | -4.8 | 109.6 | ||||
| 85 | D | 32.4 | Very low | 35.2 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | trans | 49.7 | 110.6 | 159.4 | -63.9 | -26.9 | 0 | 0 | 0 | 118.8 | ||||
| 86 | G | 25.9 | Very low | 36.5 | Very low | 64 Ų | 64 | 132.9 Ų | 132.9 | 66% | 0.66 | 72% | 0.717 | S | S | * | * | trans | -151.3 | 110 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E88 | G86-E88 PolarHBondContact O-N 3.32Š| ||
| 87 | E | 43.8 | Very low | 37.5 | Very low | 204 Ų | 204 | 132.2 Ų | 132.2 | 95% | 0.953 | 72% | 0.719 | S | S | * | * | trans | -61.9 | 112.1 | 162.6 | -72.1 | 176.1 | 147.8 | 0 | 0 | 108.6 | ||||
| 88 | E | 39.3 | Very low | 38.4 | Very low | 190 Ų | 190 | 129 Ų | 129 | 89% | 0.888 | 70% | 0.7 | S | S | * | * | trans | -102.9 | 99.2 | -178 | -73.8 | -172.9 | 168.8 | 0 | 0 | 112.3 | G86 | G86-E88 PolarHBondContact O-N 3.32Š| ||
| 89 | G | 35.3 | Very low | 39.7 | Very low | 75 Ų | 75 | 124 Ų | 124 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | 64.1 | 63.2 | 124 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 90 | E | 46.5 | Very low | 41.1 | Very low | 90 Ų | 90 | 126.2 Ų | 126.2 | 42% | 0.421 | 69% | 0.688 | S | S | . | * | trans | -73.4 | 126.7 | 162.3 | -76.8 | -179.6 | 158 | 0 | 0 | 111.7 | R92 V176 | E90-R92 HydrophobicContact CB-CG 4.3Å; E90-R92 PolarHBondContact O-N 3.26Å; E90-R92 IonicContact OE2-CZ 3.66Å; E90-R92 IonicContact OE2-NE 2.77Å; E90-R92 PolarHBondContact OE2-NE 2.88Å; E90-R92 IonicContact OE2-NH2 3.93Å; E90-R92 PolarHBondContact OE2-NH2 2.76Å; E90-V176 HydrophobicContact CG-CG1 4.22Å; E90-V176 WeakPolarHBondContact OE1-CG1 3.45Å | ||
| 91 | V | 41 | Very low | 43.6 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 47% | 0.467 | 69% | 0.69 | S | S | . | * | trans | -80.1 | 108.9 | 163.2 | 172.6 | 0 | 0 | 0 | 0 | 108.7 | R155 | V91-R155 VanDerWaalsContact CB-NH2 3.28Š| ||
| 92 | R | 50.9 | Low | 46.3 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 48% | 0.479 | 66% | 0.659 | S | S | . | * | trans | -98.6 | 110.9 | 178.8 | -69 | -179.3 | 178.6 | 179 | -6.2 | 110.6 | E90 R94 | E90-R92 HydrophobicContact CB-CG 4.3Å; E90-R92 PolarHBondContact O-N 3.26Å; E90-R92 IonicContact OE2-CZ 3.66Å; E90-R92 IonicContact OE2-NE 2.77Å; E90-R92 PolarHBondContact OE2-NE 2.88Å; E90-R92 IonicContact OE2-NH2 3.93Å; E90-R92 PolarHBondContact OE2-NH2 2.76Å; R92-R94 HydrophobicContact CB-CG 4.27Å | ||
| 93 | A | 47 | Very low | 48.9 | Very low | 51 Ų | 51 | 119.3 Ų | 119.3 | 42% | 0.421 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.6 | 119.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | V175 | A93-V175 HydrophobicContact CB-CB 4.46Å |
| 94 | R | 55.7 | Low | 52.2 | Low | 148 Ų | 148 | 113.2 Ų | 113.2 | 56% | 0.558 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.4 | -176 | -73.7 | -176.3 | 169.1 | -179.2 | -6.2 | 112.2 | R92 A96 E174 | R92-R94 HydrophobicContact CB-CG 4.27Å; R94-A96 HydrophobicContact CB-CB 4.27Å; R94-E174 IonicContact NE-OE2 3.71Å; R94-E174 IonicContact NH2-OE2 3.14Å |
| 95 | R | 56.9 | Low | 55.4 | Low | 120 Ų | 120 | 107.2 Ų | 107.2 | 45% | 0.453 | 59% | 0.593 | S | S | . | * | trans | -110.1 | 51.6 | 154.1 | -161.2 | -179.8 | -174.9 | 179.5 | 1 | 108.9 | G169 Y173 | R95-G169 PolarHBondContact NH1-O 3Å; R95-Y173 HydrophobicContact CB-CE1 3.96Å | ||
| 96 | A | 53.2 | Low | 58.5 | Low | 57 Ų | 57 | 101.1 Ų | 101.1 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | trans | -99.2 | 89.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | R94 | R94-A96 HydrophobicContact CB-CB 4.27Š| ||
| 97 | D | 51 | Low | 62 | Low | 158 Ų | 158 | 99.9 Ų | 99.9 | 85% | 0.845 | 54% | 0.536 | S | S | * | . | trans | -118.3 | 81.3 | 171.6 | -167.5 | 27.1 | 0 | 0 | 0 | 109 | ||||
| 98 | S | 48.9 | Very low | 64.6 | Low | 53 Ų | 53 | 90.1 Ų | 90.1 | 37% | 0.371 | 49% | 0.49 | S | S | . | . | trans | -172 | 130.8 | 150 | 50.5 | 0 | 0 | 0 | 0 | 108.5 | H100 | S98-H100 PolarHBondContact O-N 3.14Š| ||
| 99 | G | 52.8 | Low | 67.4 | Low | 90 Ų | 90 | 81.1 Ų | 81.1 | 93% | 0.928 | 45% | 0.448 | S | S | * | . | trans | -69.7 | 47.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 100 | H | 53.5 | Low | 70.4 | Confident | 131 Ų | 131 | 77.6 Ų | 77.6 | 61% | 0.606 | 41% | 0.412 | S | S | * | . | trans | -110.9 | 139.3 | 178.5 | -74.5 | -3.6 | 0 | 0 | 0 | 109.9 | S98 V102 | S98-H100 PolarHBondContact O-N 3.14Å; H100-V102 PolarHBondContact O-N 2.97Å | ||
| 101 | E | 75.4 | Confident | 72.8 | Confident | 168 Ų | 168 | 75.2 Ų | 75.2 | 79% | 0.785 | 40% | 0.401 | S | S | * | . | trans | -62.3 | 117.2 | 179.1 | -167.1 | 176 | -170.8 | 0 | 0 | 110.2 | S103 | E101-S103 PolarHBondContact O-N 2.94Š| ||
| 102 | V | 79 | Confident | 75.4 | Confident | 47 Ų | 47 | 71.6 Ų | 71.6 | 29% | 0.285 | 38% | 0.379 | S | S | . | . | trans | -68.3 | 126.8 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | H100 Y105 V143 | H100-V102 PolarHBondContact O-N 2.97Å; V102-Y105 HydrophobicContact CB-CE2 4.09Å; V102-Y105 HydrophobicContact CG1-CD1 4.42Å; V102-Y105 HydrophobicContact CG1-CD2 4.04Å; V102-Y105 HydrophobicContact CG1-CE1 3.99Å; V102-Y105 HydrophobicContact CG1-CE2 3.55Å; V102-Y105 HydrophobicContact CG1-CG 4.45Å; V102-V143 HydrophobicContact CG1-CB 4.41Å; V102-V143 HydrophobicContact CG1-CG2 3.76Å; V102-V143 HydrophobicContact CG2-CG2 4.08Å | ||
| 103 | S | 85.8 | Confident | 77.4 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 56% | 0.559 | 36% | 0.363 | S | S | * | . | trans | -92.7 | -29.5 | -176.4 | 65.4 | 0 | 0 | 0 | 0 | 113.5 | E101 K141 | E101-S103 PolarHBondContact O-N 2.94Å; S103-K141 PolarHBondContact N-O 3.19Å; S103-K141 VanDerWaalsContact OG-CB 3.29Å; S103-K141 WeakPolarHBondContact OG-CB 3.47Å; S103-K141 PolarHBondContact OG-O 3.05Å | ||
| 104 | Q | 92.8 | Very high | 79.5 | Confident | 74 Ų | 74 | 69.1 Ų | 69.1 | 35% | 0.346 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 134.1 | -174.2 | -174 | 63.6 | 39 | 0 | 0 | 111.2 | Y106 K141 E142 V143 | Q104-Y106 HydrophobicContact CB-CE2 4.12Å; Q104-Y106 HydrophobicContact CG-CD2 4.13Å; Q104-Y106 HydrophobicContact CG-CE1 4.46Å; Q104-Y106 HydrophobicContact CG-CE2 3.56Å; Q104-K141 PolarHBondContact N-O 3.19Å; Q104-E142 HydrophobicContact CB-CG 4.37Å; Q104-E142 WeakPolarHBondContact O-CA 3.32Å; Q104-V143 PolarHBondContact O-N 2.9Å |
| 105 | Y | 96.4 | Very high | 81.3 | Confident | 96 Ų | 96 | 62 Ų | 62 | 38% | 0.376 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 138.5 | 169.1 | -66.4 | -89.1 | 0 | 0 | 0 | 110.2 | V102 H107 V143 V145 | V102-Y105 HydrophobicContact CB-CE2 4.09Å; V102-Y105 HydrophobicContact CG1-CD1 4.42Å; V102-Y105 HydrophobicContact CG1-CD2 4.04Å; V102-Y105 HydrophobicContact CG1-CE1 3.99Å; V102-Y105 HydrophobicContact CG1-CE2 3.55Å; V102-Y105 HydrophobicContact CG1-CG 4.45Å; Y105-H107 VanDerWaalsContact CB-NE2 3.33Å; Y105-H107 WeakPolarHBondContact CB-NE2 3.28Å; Y105-V143 WeakPolarHBondContact CA-O 3.37Å; Y105-V143 HydrophobicContact CD1-CB 3.79Å; Y105-V143 HydrophobicContact CD1-CG1 4.04Å; Y105-V143 HydrophobicContact CE1-CB 3.94Å; Y105-V143 HydrophobicContact CE1-CG1 4.07Å; Y105-V143 HydrophobicContact CE1-CG2 4.27Å; Y105-V145 HydrophobicContact CD1-CG2 3.67Å; Y105-V145 HydrophobicContact CG-CG2 4.46Å |
| 106 | Y | 98.1 | Very high | 83 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118.1 | 174.8 | -66.3 | -92.2 | 0 | 0 | 0 | 108 | Q104 F138 E142 V143 L144 V145 R242 F245 | Q104-Y106 HydrophobicContact CB-CE2 4.12Å; Q104-Y106 HydrophobicContact CG-CD2 4.13Å; Q104-Y106 HydrophobicContact CG-CE1 4.46Å; Q104-Y106 HydrophobicContact CG-CE2 3.56Å; Y106-F138 HydrophobicContact CD1-CE1 4.3Å; Y106-F138 AromaticContact CD2-CD1 3.82Å; Y106-F138 HydrophobicContact CD2-CD1 3.82Å; Y106-F138 AromaticContact CD2-CE1 3.58Å; Y106-F138 HydrophobicContact CD2-CE1 3.58Å; Y106-F138 HydrophobicContact CE2-CD1 4.02Å; Y106-F138 HydrophobicContact CE2-CE1 4.08Å; Y106-F138 HydrophobicContact CG-CD1 4.4Å; Y106-F138 AromaticContact CG-CE1 3.7Å; Y106-F138 HydrophobicContact CG-CE1 3.7Å; Y106-E142 HydrophobicContact CD2-CB 4.29Å; Y106-E142 HydrophobicContact CE2-CB 3.8Å; Y106-E142 HydrophobicContact CE2-CG 3.75Å; Y106-E142 PolarHBondContact OH-OE1 2.84Å; Y106-V143 PolarHBondContact N-O 2.91Å; Y106-L144 CarbonylContact O-C 3.57Å; Y106-L144 WeakPolarHBondContact O-CA 3.28Å; Y106-L144 WeakPolarHBondContact O-CD1 3.46Å; Y106-V145 PolarHBondContact O-N 2.94Å; Y106-R242 HydrophobicContact CE1-CG 4.37Å; Y106-F245 HydrophobicContact CD1-CB 3.71Å; Y106-F245 AromaticContact CD1-CD1 3.71Å; Y106-F245 HydrophobicContact CD1-CD1 3.71Å; Y106-F245 AromaticContact CD1-CD2 3.82Å; Y106-F245 HydrophobicContact CD1-CD2 3.82Å; Y106-F245 HydrophobicContact CD1-CE1 4.21Å; Y106-F245 HydrophobicContact CD1-CE2 4.33Å; Y106-F245 AromaticContact CD1-CG 3.48Å; Y106-F245 HydrophobicContact CD1-CG 3.48Å; Y106-F245 VanDerWaalsContact CD1-CG 3.48Å; Y106-F245 HydrophobicContact CE1-CB 3.86Å; Y106-F245 HydrophobicContact CE1-CG 4.16Å; Y106-F245 HydrophobicContact CG-CG 4.47Å |
| 107 | H | 98.6 | Very high | 85 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 17% | 0.171 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.6 | -172.6 | -62.5 | -98.4 | 0 | 0 | 0 | 110.6 | Y105 H147 L225 I228 V229 F245 | Y105-H107 VanDerWaalsContact CB-NE2 3.33Å; Y105-H107 WeakPolarHBondContact CB-NE2 3.28Å; H107-H147 AromaticContact CE1-NE2 3.96Å; H107-H147 AromaticContact CG-NE2 3.72Å; H107-H147 AromaticContact ND1-CD2 3.93Å; H107-H147 AromaticContact ND1-CE1 3.82Å; H107-H147 AromaticContact ND1-NE2 2.9Å; H107-H147 PolarHBondContact ND1-NE2 2.81Å; H107-L225 HydrophobicContact CB-CD1 3.97Å; H107-L225 WeakPolarHBondContact CD2-CD1 3.38Å; H107-L225 WeakPolarHBondContact NE2-CD1 3.42Å; H107-I228 HydrophobicContact CB-CB 4.26Å; H107-I228 HydrophobicContact CB-CD1 4.29Å; H107-I228 HydrophobicContact CB-CG1 3.82Å; H107-I228 WeakPolarHBondContact O-CA 3.42Å; H107-I228 WeakPolarHBondContact O-CG1 3.38Å; H107-V229 PolarHBondContact O-N 3.37Å; H107-F245 WeakPolarHBondContact O-CE1 3.06Å |
| 108 | A | 98.6 | Very high | 87 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | L144 V145 L146 H147 V229 L231 F245 | A108-L144 HydrophobicContact CB-CD1 4.2Å; A108-V145 PolarHBondContact N-O 2.96Å; A108-L146 HydrophobicContact CB-CD2 4.28Å; A108-H147 PolarHBondContact O-N 3.16Å; A108-V229 CarbonylContact C-O 3.46Å; A108-V229 VanDerWaalsContact CA-O 3.23Å; A108-V229 WeakPolarHBondContact CA-O 3.29Å; A108-L231 HydrophobicContact CB-CD1 4.01Å; A108-F245 HydrophobicContact CB-CZ 4.45Å |
| 109 | L | 98.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136.5 | -178.6 | -175.2 | 146.7 | 0 | 0 | 0 | 111.4 | M111 H147 V149 L213 M217 M221 I228 V229 Q230 L231 | L109-M111 HydrophobicContact CD2-SD 4.31Å; L109-H147 CarbonylContact C-O 3.54Å; L109-H147 VanDerWaalsContact CA-O 3.27Å; L109-H147 WeakPolarHBondContact CA-O 3.27Å; L109-H147 HydrophobicContact CB-CB 4.04Å; L109-H147 HydrophobicContact CD1-CB 4.1Å; L109-H147 HydrophobicContact CG-CB 4.08Å; L109-V149 HydrophobicContact CD1-CG2 4.04Å; L109-V149 HydrophobicContact CD2-CG2 4.08Å; L109-V149 HydrophobicContact CG-CG2 4.24Å; L109-L213 HydrophobicContact CD1-CD2 4.35Å; L109-L213 HydrophobicContact CD2-CD2 4.08Å; L109-M217 HydrophobicContact CD1-CE 3.95Å; L109-M217 HydrophobicContact CD1-SD 4.16Å; L109-M217 HydrophobicContact CD2-CE 4.14Å; L109-M221 HydrophobicContact CD1-CE 3.36Å; L109-I228 HydrophobicContact CB-CD1 3.71Å; L109-I228 HydrophobicContact CB-CG1 4.18Å; L109-I228 HydrophobicContact CD1-CD1 4.04Å; L109-V229 PolarHBondContact N-O 2.93Å; L109-Q230 HydrophobicContact CD2-CG 4Å; L109-Q230 CarbonylContact O-C 3.58Å; L109-Q230 WeakPolarHBondContact O-CA 3.34Å; L109-L231 PolarHBondContact O-N 3.44Å |
| 110 | M | 98.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 142.3 | 174.4 | -56.6 | 179.9 | -175.5 | 0 | 0 | 111.5 | F112 M129 M132 H147 F148 V149 L231 L233 | M110-F112 PolarHBondContact O-N 3.19Å; M110-M129 HydrophobicContact CE-SD 3.99Å; M110-M129 HydrophobicContact SD-SD 4.04Å; M110-M132 HydrophobicContact CE-CE 3.36Å; M110-H147 PolarHBondContact N-O 2.86Å; M110-F148 HydrophobicContact CB-CD1 4Å; M110-F148 HydrophobicContact CB-CE1 4.03Å; M110-F148 HydrophobicContact CG-CE1 4.29Å; M110-F148 WeakPolarHBondContact O-CA 3.44Å; M110-F148 HydrophobicContact SD-CE1 3.82Å; M110-V149 PolarHBondContact O-N 3.19Å; M110-L231 WeakPolarHBondContact CA-O 3.29Å; M110-L231 HydrophobicContact CE-CB 4.22Å; M110-L231 HydrophobicContact CE-CD1 4.07Å; M110-L231 HydrophobicContact CG-CB 4.15Å; M110-L233 HydrophobicContact CB-CD2 3.69Å; M110-L233 HydrophobicContact CG-CD2 4.28Å; M110-L233 HydrophobicContact SD-CD2 3.85Å |
| 111 | M | 96 | Very high | 93.2 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 113.2 | 171 | -64.1 | -52.1 | -55.6 | 0 | 0 | 109.5 | L109 T113 V149 I210 L213 L233 | L109-M111 HydrophobicContact CD2-SD 4.31Å; M111-T113 HydrophobicContact CE-CG2 4.46Å; M111-V149 HydrophobicContact CE-CB 3.8Å; M111-V149 HydrophobicContact CE-CG1 3.66Å; M111-V149 HydrophobicContact SD-CB 3.84Å; M111-V149 HydrophobicContact SD-CG1 4.26Å; M111-V149 HydrophobicContact SD-CG2 4.06Å; M111-I210 HydrophobicContact CE-CB 4.42Å; M111-I210 HydrophobicContact CE-CD1 4.24Å; M111-I210 HydrophobicContact CE-CG1 3.29Å; M111-I210 HydrophobicContact CE-CG2 4.36Å; M111-I210 HydrophobicContact SD-CG1 4.41Å; M111-L213 HydrophobicContact SD-CD2 3.96Å; M111-L233 WeakPolarHBondContact O-CD1 3.37Å; M111-L233 VanDerWaalsContact O-CG 3.25Å; M111-L233 WeakPolarHBondContact O-CG 3.21Å |
| 112 | F | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | trans | -124.7 | 51.6 | -172.2 | -162.1 | -106.2 | 0 | 0 | 0 | 111.9 | M110 V115 F125 F148 V149 S150 S154 L233 | M110-F112 PolarHBondContact O-N 3.19Å; F112-V115 HydrophobicContact CD1-CG2 4.37Å; F112-V115 HydrophobicContact CD2-CB 4.37Å; F112-V115 HydrophobicContact CD2-CG1 4.47Å; F112-V115 HydrophobicContact CD2-CG2 3.68Å; F112-V115 HydrophobicContact CE1-CB 4.24Å; F112-V115 HydrophobicContact CE1-CG1 4.44Å; F112-V115 HydrophobicContact CE1-CG2 4.44Å; F112-V115 HydrophobicContact CE2-CB 3.97Å; F112-V115 HydrophobicContact CE2-CG1 3.68Å; F112-V115 HydrophobicContact CE2-CG2 3.73Å; F112-V115 HydrophobicContact CG-CG2 3.99Å; F112-V115 HydrophobicContact CZ-CB 3.91Å; F112-V115 HydrophobicContact CZ-CG1 3.66Å; F112-V115 HydrophobicContact CZ-CG2 4.13Å; F112-F125 HydrophobicContact CD2-CD2 4.22Å; F112-F125 HydrophobicContact CD2-CE2 4.13Å; F112-F125 HydrophobicContact CD2-CG 4.41Å; F112-F125 HydrophobicContact CD2-CZ 4.28Å; F112-F125 HydrophobicContact CE2-CB 4.34Å; F112-F125 AromaticContact CE2-CD1 3.54Å; F112-F125 HydrophobicContact CE2-CD1 3.54Å; F112-F125 AromaticContact CE2-CD2 3.85Å; F112-F125 HydrophobicContact CE2-CD2 3.85Å; F112-F125 AromaticContact CE2-CE1 3.56Å; F112-F125 HydrophobicContact CE2-CE1 3.56Å; F112-F125 AromaticContact CE2-CE2 3.85Å; F112-F125 HydrophobicContact CE2-CE2 3.85Å; F112-F125 AromaticContact CE2-CG 3.64Å; F112-F125 HydrophobicContact CE2-CG 3.64Å; F112-F125 AromaticContact CE2-CZ 3.69Å; F112-F125 HydrophobicContact CE2-CZ 3.69Å; F112-F125 HydrophobicContact CZ-CD1 4.01Å; F112-F125 AromaticContact CZ-CE1 3.81Å; F112-F125 HydrophobicContact CZ-CE1 3.81Å; F112-F125 HydrophobicContact CZ-CZ 4.16Å; F112-F148 HydrophobicContact CB-CB 4.05Å; F112-F148 HydrophobicContact CB-CD1 3.92Å; F112-F148 HydrophobicContact CB-CG 4.4Å; F112-F148 HydrophobicContact CD2-CD1 4.34Å; F112-F148 HydrophobicContact CG-CD1 4.15Å; F112-V149 CarbonylContact C-O 3.54Å; F112-V149 VanDerWaalsContact C-O 3.27Å; F112-V149 WeakPolarHBondContact CA-O 3.3Å; F112-V149 PolarHBondContact N-O 3.08Å; F112-S150 WeakPolarHBondContact O-CA 3.48Å; F112-S150 VanDerWaalsContact O-CB 3.25Å; F112-S150 WeakPolarHBondContact O-CB 3.3Å; F112-S154 WeakPolarHBondContact CE1-O 3.48Å; F112-S154 WeakPolarHBondContact O-CB 3.37Å; F112-L233 HydrophobicContact CD2-CD1 3.81Å; F112-L233 HydrophobicContact CD2-CD2 4.03Å; F112-L233 HydrophobicContact CE2-CD1 4.44Å | ||
| 113 | T | 92.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | trans | -103.6 | 143.9 | -178.8 | 58.9 | 0 | 0 | 0 | 0 | 112 | M111 V115 D151 V180 | M111-T113 HydrophobicContact CE-CG2 4.46Å; T113-V115 PolarHBondContact O-N 3.46Å; T113-D151 WeakPolarHBondContact CA-OD2 3.46Å; T113-V180 HydrophobicContact CG2-CB 4.03Å; T113-V180 HydrophobicContact CG2-CG1 4.33Å; T113-V180 HydrophobicContact CG2-CG2 3.87Å | ||
| 114 | K | 90.5 | Very high | 95.6 | Very high | 102 Ų | 102 | 52.8 Ų | 52.8 | 44% | 0.443 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 56.1 | 25 | 179 | -52.6 | 177 | -177.3 | 176.3 | 0 | 113.6 | D116 K117 D151 S154 | K114-D116 VanDerWaalsContact C-N 3.33Å; K114-D116 WeakPolarHBondContact CA-OD1 3.38Å; K114-K117 PolarHBondContact O-N 2.97Å; K114-D151 PolarHBondContact N-OD2 2.93Å; K114-S154 PolarHBondContact N-OG 3.21Å |
| 115 | V | 93.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -73.5 | -32.7 | -179.1 | 179.5 | 0 | 0 | 0 | 0 | 110 | F112 T113 K117 S118 L121 Q122 S154 L157 L233 | F112-V115 HydrophobicContact CD1-CG2 4.37Å; F112-V115 HydrophobicContact CD2-CB 4.37Å; F112-V115 HydrophobicContact CD2-CG1 4.47Å; F112-V115 HydrophobicContact CD2-CG2 3.68Å; F112-V115 HydrophobicContact CE1-CB 4.24Å; F112-V115 HydrophobicContact CE1-CG1 4.44Å; F112-V115 HydrophobicContact CE1-CG2 4.44Å; F112-V115 HydrophobicContact CE2-CB 3.97Å; F112-V115 HydrophobicContact CE2-CG1 3.68Å; F112-V115 HydrophobicContact CE2-CG2 3.73Å; F112-V115 HydrophobicContact CG-CG2 3.99Å; F112-V115 HydrophobicContact CZ-CB 3.91Å; F112-V115 HydrophobicContact CZ-CG1 3.66Å; F112-V115 HydrophobicContact CZ-CG2 4.13Å; T113-V115 PolarHBondContact O-N 3.46Å; V115-K117 PolarHBondContact O-N 2.98Å; V115-S118 PolarHBondContact O-N 3.47Å; V115-S118 VanDerWaalsContact O-N 3.17Å; V115-L121 HydrophobicContact CG1-CB 4.47Å; V115-Q122 HydrophobicContact CG1-CG 3.63Å; V115-Q122 VanDerWaalsContact O-CG 3.3Å; V115-Q122 WeakPolarHBondContact O-CG 3.28Å; V115-Q122 PolarHBondContact O-NE2 3.13Å; V115-S154 PolarHBondContact N-OG 3.44Å; V115-L157 HydrophobicContact CG1-CD2 4.17Å; V115-L233 HydrophobicContact CG2-CD1 3.99Å | ||
| 116 | D | 94.1 | Very high | 95.9 | Very high | 52 Ų | 52 | 49.4 Ų | 49.4 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -35.7 | 171.5 | 70.5 | -48.2 | 0 | 0 | 0 | 113.2 | K114 Q122 A153 S154 L157 | K114-D116 VanDerWaalsContact C-N 3.33Å; K114-D116 WeakPolarHBondContact CA-OD1 3.38Å; D116-Q122 PolarHBondContact O-NE2 3.22Å; D116-A153 HydrophobicContact CB-CB 4.17Å; D116-A153 WeakPolarHBondContact OD2-CB 3.42Å; D116-S154 PolarHBondContact OD1-OG 2.87Å; D116-L157 HydrophobicContact CB-CD2 4.41Å |
| 117 | K | 93.4 | Very high | 95.9 | Very high | 164 Ų | 164 | 51.2 Ų | 51.2 | 71% | 0.713 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -11.3 | -176.5 | -64.5 | 171.8 | -168.5 | 176.5 | 0 | 114.2 | K114 V115 | K114-K117 PolarHBondContact O-N 2.97Å; V115-K117 PolarHBondContact O-N 2.98Å |
| 118 | S | 94.1 | Very high | 95.9 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | trans | -128 | 101.2 | -170.5 | -179 | 0 | 0 | 0 | 0 | 112.4 | V115 S120 L121 Q122 | V115-S118 PolarHBondContact O-N 3.47Å; V115-S118 VanDerWaalsContact O-N 3.17Å; S118-S120 PolarHBondContact O-N 3.01Å; S118-L121 PolarHBondContact O-N 3.36Å; S118-L121 WeakPolarHBondContact OG-CG 3.49Å; S118-L121 PolarHBondContact OG-N 2.84Å; S118-Q122 WeakPolarHBondContact O-CG 3.37Å; S118-Q122 PolarHBondContact O-N 2.79Å | ||
| 119 | R | 95.3 | Very high | 95.9 | Very high | 189 Ų | 189 | 49.5 Ų | 49.5 | 71% | 0.713 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -56.4 | -37 | 172.9 | -170.6 | 175.6 | -179.2 | -179.3 | 1.9 | 112.2 | L121 Q122 E123 | R119-L121 PolarHBondContact O-N 3.34Å; R119-Q122 PolarHBondContact O-N 2.03Å; R119-E123 WeakPolarHBondContact O-CG 3.23Å; R119-E123 PolarHBondContact O-N 3.33Å |
| 120 | S | 94.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 52 Ų | 52 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 176.3 | -175.4 | 0 | 0 | 0 | 0 | 112 | S118 E123 K124 | S118-S120 PolarHBondContact O-N 3.01Å; S120-E123 PolarHBondContact O-N 3.22Å; S120-K124 WeakPolarHBondContact O-CG 3.04Å; S120-K124 PolarHBondContact O-N 2.85Å |
| 121 | L | 94.8 | Very high | 95.8 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.1 | -38 | 176 | -70.6 | 176.5 | 0 | 0 | 0 | 111.8 | V115 S118 R119 E123 K124 F125 | V115-L121 HydrophobicContact CG1-CB 4.47Å; S118-L121 PolarHBondContact O-N 3.36Å; S118-L121 WeakPolarHBondContact OG-CG 3.49Å; S118-L121 PolarHBondContact OG-N 2.84Å; R119-L121 PolarHBondContact O-N 3.34Å; L121-E123 PolarHBondContact O-N 3.1Å; L121-K124 HydrophobicContact CD2-CD 4.25Å; L121-K124 PolarHBondContact O-N 2.84Å; L121-F125 VanDerWaalsContact O-CB 3.31Å; L121-F125 WeakPolarHBondContact O-CB 3.47Å; L121-F125 PolarHBondContact O-N 2.87Å |
| 122 | Q | 97.3 | Very high | 95.8 | Very high | 46 Ų | 46 | 50.5 Ų | 50.5 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 174.8 | -67.7 | 172.8 | 27.7 | 0 | 0 | 112 | V115 D116 S118 R119 F125 R126 L157 | V115-Q122 HydrophobicContact CG1-CG 3.63Å; V115-Q122 VanDerWaalsContact O-CG 3.3Å; V115-Q122 WeakPolarHBondContact O-CG 3.28Å; V115-Q122 PolarHBondContact O-NE2 3.13Å; D116-Q122 PolarHBondContact O-NE2 3.22Å; S118-Q122 WeakPolarHBondContact O-CG 3.37Å; S118-Q122 PolarHBondContact O-N 2.79Å; R119-Q122 PolarHBondContact O-N 2.03Å; Q122-F125 PolarHBondContact O-N 3.48Å; Q122-R126 VanDerWaalsContact O-CB 3.28Å; Q122-R126 WeakPolarHBondContact O-CB 3.46Å; Q122-R126 PolarHBondContact O-N 2.88Å; Q122-L157 HydrophobicContact CG-CD2 3.94Å |
| 123 | E | 97 | Very high | 95.9 | Very high | 90 Ų | 90 | 50.6 Ų | 50.6 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.8 | -42.2 | 177.3 | -65.6 | -56.6 | 155.9 | 0 | 0 | 111.9 | R119 S120 L121 R126 V127 | R119-E123 WeakPolarHBondContact O-CG 3.23Å; R119-E123 PolarHBondContact O-N 3.33Å; S120-E123 PolarHBondContact O-N 3.22Å; L121-E123 PolarHBondContact O-N 3.1Å; E123-R126 PolarHBondContact O-N 3.17Å; E123-V127 WeakPolarHBondContact O-CG2 3.46Å; E123-V127 PolarHBondContact O-N 3.48Å |
| 124 | K | 97.6 | Very high | 96 | Very high | 35 Ų | 35 | 55.4 Ų | 55.4 | 15% | 0.152 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.7 | -50.5 | 174 | -77.9 | 164.7 | 156 | -145.2 | 0 | 111.4 | S120 L121 R126 V127 A128 L233 D234 N393 | S120-K124 WeakPolarHBondContact O-CG 3.04Å; S120-K124 PolarHBondContact O-N 2.85Å; L121-K124 HydrophobicContact CD2-CD 4.25Å; L121-K124 PolarHBondContact O-N 2.84Å; K124-R126 VanDerWaalsContact C-N 3.32Å; K124-R126 PolarHBondContact O-N 3.24Å; K124-V127 WeakPolarHBondContact O-CB 3.17Å; K124-V127 PolarHBondContact O-N 2.85Å; K124-V127 VanDerWaalsContact O-N 3.16Å; K124-A128 PolarHBondContact O-N 3.47Å; K124-L233 CarbonylContact C-O 3.55Å; K124-D234 HydrophobicContact CB-CB 4.03Å; K124-D234 HydrophobicContact CD-CB 3.7Å; K124-D234 HydrophobicContact CG-CB 3.84Å; K124-D234 IonicContact NZ-OD2 3.42Å; K124-D234 PolarHBondContact NZ-OD2 3.2Å; K124-N393 WeakPolarHBondContact CE-OD1 3.22Å; K124-N393 PolarHBondContact NZ-OD1 3.45Å |
| 125 | F | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59 | -43.3 | 176.4 | 174.7 | -119.6 | 0 | 0 | 0 | 112.2 | F112 L121 Q122 V127 A128 M129 F148 M161 L162 L165 L233 | F112-F125 HydrophobicContact CD2-CD2 4.22Å; F112-F125 HydrophobicContact CD2-CE2 4.13Å; F112-F125 HydrophobicContact CD2-CG 4.41Å; F112-F125 HydrophobicContact CD2-CZ 4.28Å; F112-F125 HydrophobicContact CE2-CB 4.34Å; F112-F125 AromaticContact CE2-CD1 3.54Å; F112-F125 HydrophobicContact CE2-CD1 3.54Å; F112-F125 AromaticContact CE2-CD2 3.85Å; F112-F125 HydrophobicContact CE2-CD2 3.85Å; F112-F125 AromaticContact CE2-CE1 3.56Å; F112-F125 HydrophobicContact CE2-CE1 3.56Å; F112-F125 AromaticContact CE2-CE2 3.85Å; F112-F125 HydrophobicContact CE2-CE2 3.85Å; F112-F125 AromaticContact CE2-CG 3.64Å; F112-F125 HydrophobicContact CE2-CG 3.64Å; F112-F125 AromaticContact CE2-CZ 3.69Å; F112-F125 HydrophobicContact CE2-CZ 3.69Å; F112-F125 HydrophobicContact CZ-CD1 4.01Å; F112-F125 AromaticContact CZ-CE1 3.81Å; F112-F125 HydrophobicContact CZ-CE1 3.81Å; F112-F125 HydrophobicContact CZ-CZ 4.16Å; L121-F125 VanDerWaalsContact O-CB 3.31Å; L121-F125 WeakPolarHBondContact O-CB 3.47Å; L121-F125 PolarHBondContact O-N 2.87Å; Q122-F125 PolarHBondContact O-N 3.48Å; F125-V127 VanDerWaalsContact C-N 3.34Å; F125-V127 PolarHBondContact O-N 3.25Å; F125-A128 PolarHBondContact O-N 3.05Å; F125-M129 HydrophobicContact CD1-CG 4.43Å; F125-M129 HydrophobicContact CD2-CG 3.59Å; F125-M129 HydrophobicContact CD2-SD 4.2Å; F125-M129 HydrophobicContact CE1-CG 4.09Å; F125-M129 HydrophobicContact CE2-CG 3.19Å; F125-M129 HydrophobicContact CE2-SD 3.57Å; F125-M129 VanDerWaalsContact CE2-SD 3.57Å; F125-M129 HydrophobicContact CG-CG 4.24Å; F125-M129 HydrophobicContact CZ-CG 3.49Å; F125-M129 VanDerWaalsContact CZ-CG 3.49Å; F125-M129 HydrophobicContact CZ-SD 4.2Å; F125-M129 WeakPolarHBondContact O-CG 3.3Å; F125-M129 PolarHBondContact O-N 3.47Å; F125-F148 AromaticContact CE2-CE1 3.7Å; F125-F148 HydrophobicContact CE2-CE1 3.7Å; F125-F148 HydrophobicContact CE2-CZ 4.13Å; F125-F148 HydrophobicContact CZ-CE1 4.05Å; F125-F148 HydrophobicContact CZ-CZ 4.18Å; F125-M161 HydrophobicContact CD1-CE 4.16Å; F125-L162 HydrophobicContact CE1-CD2 4.44Å; F125-L162 HydrophobicContact CZ-CD2 3.74Å; F125-L162 HydrophobicContact CZ-CG 4.2Å; F125-L165 HydrophobicContact CD1-CD1 4.11Å; F125-L165 HydrophobicContact CE1-CD1 3.81Å; F125-L233 HydrophobicContact CD2-CD2 3.71Å; F125-L233 HydrophobicContact CE2-CD2 4.21Å; F125-L233 PolarHBondContact N-O 3.44Å |
| 126 | R | 97.8 | Very high | 96.4 | Very high | 99 Ų | 99 | 53.5 Ų | 53.5 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 175.9 | 174.3 | 176.3 | 159.2 | 82.5 | 6.8 | 111.4 | Q122 E123 K124 L130 L165 | Q122-R126 VanDerWaalsContact O-CB 3.28Å; Q122-R126 WeakPolarHBondContact O-CB 3.46Å; Q122-R126 PolarHBondContact O-N 2.88Å; E123-R126 PolarHBondContact O-N 3.17Å; K124-R126 VanDerWaalsContact C-N 3.32Å; K124-R126 PolarHBondContact O-N 3.24Å; R126-L130 HydrophobicContact CG-CD1 3.66Å; R126-L130 HydrophobicContact CG-CG 4.32Å; R126-L130 VanDerWaalsContact O-CB 3.28Å; R126-L130 WeakPolarHBondContact O-CB 3.48Å; R126-L130 VanDerWaalsContact O-CG 3.22Å; R126-L130 WeakPolarHBondContact O-CG 3.36Å; R126-L130 PolarHBondContact O-N 3.49Å; R126-L165 HydrophobicContact CB-CD2 4.31Å; R126-L165 HydrophobicContact CG-CD2 3.78Å |
| 127 | V | 97.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 56 Ų | 56 | 38% | 0.382 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 111 | E123 K124 F125 S131 K236 | E123-V127 WeakPolarHBondContact O-CG2 3.46Å; E123-V127 PolarHBondContact O-N 3.48Å; K124-V127 WeakPolarHBondContact O-CB 3.17Å; K124-V127 PolarHBondContact O-N 2.85Å; K124-V127 VanDerWaalsContact O-N 3.16Å; F125-V127 VanDerWaalsContact C-N 3.34Å; F125-V127 PolarHBondContact O-N 3.25Å; V127-S131 WeakPolarHBondContact O-CB 3.32Å; V127-S131 PolarHBondContact O-N 3.27Å; V127-S131 PolarHBondContact O-OG 3.43Å; V127-K236 HydrophobicContact CG1-CB 4.02Å; V127-K236 HydrophobicContact CG1-CD 4.29Å; V127-K236 HydrophobicContact CG1-CG 4.05Å |
| 128 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -52.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K124 F125 S131 M132 L233 L235 Y237 | K124-A128 PolarHBondContact O-N 3.47Å; F125-A128 PolarHBondContact O-N 3.05Å; A128-S131 PolarHBondContact O-N 2.98Å; A128-S131 PolarHBondContact O-OG 3.23Å; A128-S131 VanDerWaalsContact O-OG 3.05Å; A128-M132 WeakPolarHBondContact O-CB 3.43Å; A128-M132 PolarHBondContact O-N 2.83Å; A128-L233 WeakPolarHBondContact CB-O 3.43Å; A128-L235 WeakPolarHBondContact CA-O 3.24Å; A128-L235 VanDerWaalsContact CB-O 3.29Å; A128-L235 WeakPolarHBondContact CB-O 3.02Å; A128-L235 PolarHBondContact N-O 2.93Å; A128-Y237 HydrophobicContact CB-CE2 4.21Å; A128-Y237 VanDerWaalsContact O-CD2 3.25Å; A128-Y237 WeakPolarHBondContact O-CD2 3.19Å; A128-Y237 WeakPolarHBondContact O-CE2 3.42Å |
| 129 | M | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.2 | -40.8 | -176.3 | -63 | -48.3 | -63 | 0 | 0 | 113.1 | M110 F125 S131 M132 A133 L146 F148 L162 L165 L166 | M110-M129 HydrophobicContact CE-SD 3.99Å; M110-M129 HydrophobicContact SD-SD 4.04Å; F125-M129 HydrophobicContact CD1-CG 4.43Å; F125-M129 HydrophobicContact CD2-CG 3.59Å; F125-M129 HydrophobicContact CD2-SD 4.2Å; F125-M129 HydrophobicContact CE1-CG 4.09Å; F125-M129 HydrophobicContact CE2-CG 3.19Å; F125-M129 HydrophobicContact CE2-SD 3.57Å; F125-M129 VanDerWaalsContact CE2-SD 3.57Å; F125-M129 HydrophobicContact CG-CG 4.24Å; F125-M129 HydrophobicContact CZ-CG 3.49Å; F125-M129 VanDerWaalsContact CZ-CG 3.49Å; F125-M129 HydrophobicContact CZ-SD 4.2Å; F125-M129 WeakPolarHBondContact O-CG 3.3Å; F125-M129 PolarHBondContact O-N 3.47Å; M129-S131 PolarHBondContact O-N 2.99Å; M129-M132 HydrophobicContact CE-SD 4.34Å; M129-M132 PolarHBondContact O-N 3.15Å; M129-A133 VanDerWaalsContact O-CB 3.25Å; M129-A133 WeakPolarHBondContact O-CB 3.3Å; M129-A133 PolarHBondContact O-N 3.33Å; M129-L146 HydrophobicContact CE-CD1 3.75Å; M129-L146 HydrophobicContact CE-CD2 4.48Å; M129-F148 HydrophobicContact CE-CZ 4.41Å; M129-L162 HydrophobicContact CE-CD2 3.96Å; M129-L162 HydrophobicContact CG-CD2 4.5Å; M129-L165 HydrophobicContact CB-CB 4.01Å; M129-L165 HydrophobicContact CB-CD1 3.96Å; M129-L165 HydrophobicContact CG-CD1 4.26Å; M129-L166 HydrophobicContact CE-CD2 3.73Å; M129-L166 HydrophobicContact CE-CG 4.39Å |
| 130 | L | 97.3 | Very high | 95.9 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 27% | 0.272 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 177.4 | -73 | 172.4 | 0 | 0 | 0 | 111.7 | R126 K134 L165 | R126-L130 HydrophobicContact CG-CD1 3.66Å; R126-L130 HydrophobicContact CG-CG 4.32Å; R126-L130 VanDerWaalsContact O-CB 3.28Å; R126-L130 WeakPolarHBondContact O-CB 3.48Å; R126-L130 VanDerWaalsContact O-CG 3.22Å; R126-L130 WeakPolarHBondContact O-CG 3.36Å; R126-L130 PolarHBondContact O-N 3.49Å; L130-K134 VanDerWaalsContact O-CB 3.27Å; L130-K134 WeakPolarHBondContact O-CB 3.37Å; L130-K134 PolarHBondContact O-N 2.95Å; L130-L165 HydrophobicContact CD1-CD2 4.4Å; L130-L165 HydrophobicContact CD2-CD2 4.04Å; L130-L165 HydrophobicContact CG-CD2 3.96Å |
| 131 | S | 97.7 | Very high | 95.7 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 177.3 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | V127 A128 M129 K134 Y135 Y237 | V127-S131 WeakPolarHBondContact O-CB 3.32Å; V127-S131 PolarHBondContact O-N 3.27Å; V127-S131 PolarHBondContact O-OG 3.43Å; A128-S131 PolarHBondContact O-N 2.98Å; A128-S131 PolarHBondContact O-OG 3.23Å; A128-S131 VanDerWaalsContact O-OG 3.05Å; M129-S131 PolarHBondContact O-N 2.99Å; S131-K134 PolarHBondContact O-N 3.2Å; S131-Y135 WeakPolarHBondContact O-CD2 3.18Å; S131-Y135 PolarHBondContact O-N 2.96Å; S131-Y135 VanDerWaalsContact O-N 3.15Å; S131-Y237 WeakPolarHBondContact CB-O 3.43Å; S131-Y237 PolarHBondContact OG-N 3.28Å |
| 132 | M | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.3 | -50.7 | 172.6 | -175.8 | -174.6 | -64.3 | 0 | 0 | 110.9 | M110 A128 M129 K134 Y135 S136 L144 L146 L231 Y237 I241 | M110-M132 HydrophobicContact CE-CE 3.36Å; A128-M132 WeakPolarHBondContact O-CB 3.43Å; A128-M132 PolarHBondContact O-N 2.83Å; M129-M132 HydrophobicContact CE-SD 4.34Å; M129-M132 PolarHBondContact O-N 3.15Å; M132-K134 VanDerWaalsContact C-N 3.28Å; M132-K134 PolarHBondContact O-N 3.02Å; M132-Y135 PolarHBondContact O-N 2.96Å; M132-S136 WeakPolarHBondContact CG-OG 3.35Å; M132-S136 WeakPolarHBondContact O-CB 2.94Å; M132-S136 PolarHBondContact O-N 3.3Å; M132-S136 PolarHBondContact O-OG 2.99Å; M132-L144 HydrophobicContact SD-CD2 4.13Å; M132-L146 HydrophobicContact SD-CD2 4.1Å; M132-L231 HydrophobicContact CE-CD1 4.3Å; M132-Y237 HydrophobicContact CB-CD2 3.64Å; M132-Y237 HydrophobicContact CB-CE2 3.89Å; M132-Y237 HydrophobicContact CB-CG 4.07Å; M132-Y237 HydrophobicContact CE-CD2 4.37Å; M132-Y237 HydrophobicContact CE-CE1 3.78Å; M132-Y237 HydrophobicContact CE-CE2 3.58Å; M132-Y237 WeakPolarHBondContact CE-OH 3.23Å; M132-I241 HydrophobicContact CE-CD1 3.69Å; M132-I241 HydrophobicContact SD-CD1 4.23Å |
| 133 | A | 96.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -37.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M129 L166 V168 | M129-A133 VanDerWaalsContact O-CB 3.25Å; M129-A133 WeakPolarHBondContact O-CB 3.3Å; M129-A133 PolarHBondContact O-N 3.33Å; A133-L166 HydrophobicContact CB-CD2 4.14Å; A133-V168 HydrophobicContact CB-CG2 3.57Å |
| 134 | K | 95.9 | Very high | 95.7 | Very high | 126 Ų | 126 | 45 Ų | 45 | 55% | 0.548 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65 | -42.1 | 177.5 | 178 | -177.2 | 175.2 | -172.6 | 0 | 113.2 | L130 S131 M132 D399 | L130-K134 VanDerWaalsContact O-CB 3.27Å; L130-K134 WeakPolarHBondContact O-CB 3.37Å; L130-K134 PolarHBondContact O-N 2.95Å; S131-K134 PolarHBondContact O-N 3.2Å; M132-K134 VanDerWaalsContact C-N 3.28Å; M132-K134 PolarHBondContact O-N 3.02Å; K134-D399 IonicContact NZ-OD2 3.44Å; K134-D399 PolarHBondContact NZ-OD2 3Å |
| 135 | Y | 95.9 | Very high | 95.8 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 23% | 0.231 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -100.3 | -17.8 | -170.9 | -67.9 | -67.8 | 0 | 0 | 0 | 114.6 | S131 M132 Y237 S239 N240 D399 | S131-Y135 WeakPolarHBondContact O-CD2 3.18Å; S131-Y135 PolarHBondContact O-N 2.96Å; S131-Y135 VanDerWaalsContact O-N 3.15Å; M132-Y135 PolarHBondContact O-N 2.96Å; Y135-Y237 WeakPolarHBondContact CD2-O 3.43Å; Y135-Y237 WeakPolarHBondContact CE2-O 3.36Å; Y135-S239 WeakPolarHBondContact CB-O 3.45Å; Y135-N240 WeakPolarHBondContact O-CA 3.43Å; Y135-D399 PolarHBondContact OH-OD2 3.02Å |
| 136 | S | 95.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | trans | -71.6 | 131.4 | -177 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | M132 F171 N240 I241 | M132-S136 WeakPolarHBondContact CG-OG 3.35Å; M132-S136 WeakPolarHBondContact O-CB 2.94Å; M132-S136 PolarHBondContact O-N 3.3Å; M132-S136 PolarHBondContact O-OG 2.99Å; S136-F171 VanDerWaalsContact CB-CE1 3.48Å; S136-N240 WeakPolarHBondContact CA-OD1 3.36Å; S136-I241 WeakPolarHBondContact OG-CG2 3.11Å | ||
| 137 | L | 94.3 | Very high | 95.8 | Very high | 105 Ų | 105 | 39.6 Ų | 39.6 | 55% | 0.55 | 20% | 0.197 | S | C | . | . | trans | -133.1 | 121.9 | 175.6 | -64.7 | 170.5 | 0 | 0 | 0 | 108.8 | N240 R242 | L137-N240 PolarHBondContact N-OD1 3.42Å; L137-N240 PolarHBondContact O-ND2 2.9Å; L137-N240 PolarHBondContact O-OD1 3.31Å; L137-R242 VanDerWaalsContact O-CD 3.28Å; L137-R242 WeakPolarHBondContact O-CD 3.41Å | ||
| 138 | F | 94.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 36.6 Ų | 36.6 | 11% | 0.11 | 18% | 0.179 | C | C | . | . | trans | -124 | 152.8 | 177.1 | -70.9 | -92.7 | 0 | 0 | 0 | 109.5 | Y106 E142 L144 F171 I241 R242 | Y106-F138 HydrophobicContact CD1-CE1 4.3Å; Y106-F138 AromaticContact CD2-CD1 3.82Å; Y106-F138 HydrophobicContact CD2-CD1 3.82Å; Y106-F138 AromaticContact CD2-CE1 3.58Å; Y106-F138 HydrophobicContact CD2-CE1 3.58Å; Y106-F138 HydrophobicContact CE2-CD1 4.02Å; Y106-F138 HydrophobicContact CE2-CE1 4.08Å; Y106-F138 HydrophobicContact CG-CD1 4.4Å; Y106-F138 AromaticContact CG-CE1 3.7Å; Y106-F138 HydrophobicContact CG-CE1 3.7Å; F138-E142 HydrophobicContact CB-CB 4.06Å; F138-E142 HydrophobicContact CD1-CB 4.07Å; F138-L144 HydrophobicContact CE1-CB 4.4Å; F138-L144 HydrophobicContact CE2-CB 4Å; F138-L144 HydrophobicContact CE2-CD2 3.91Å; F138-L144 HydrophobicContact CE2-CG 4.42Å; F138-L144 HydrophobicContact CZ-CB 3.91Å; F138-L144 HydrophobicContact CZ-CD1 4.07Å; F138-L144 HydrophobicContact CZ-CD2 4.08Å; F138-L144 HydrophobicContact CZ-CG 4.24Å; F138-F171 HydrophobicContact CB-CB 3.87Å; F138-F171 HydrophobicContact CD2-CB 3.74Å; F138-F171 HydrophobicContact CD2-CD1 4.36Å; F138-F171 HydrophobicContact CD2-CD2 4.03Å; F138-F171 AromaticContact CD2-CG 3.79Å; F138-F171 HydrophobicContact CD2-CG 3.79Å; F138-F171 HydrophobicContact CE2-CD2 4.37Å; F138-F171 HydrophobicContact CE2-CG 4.43Å; F138-F171 HydrophobicContact CG-CB 4.22Å; F138-I241 HydrophobicContact CE2-CG2 3.97Å; F138-I241 HydrophobicContact CZ-CG2 3.87Å; F138-R242 HydrophobicContact CD1-CB 4.3Å; F138-R242 HydrophobicContact CD1-CG 4.16Å; F138-R242 HydrophobicContact CE1-CB 3.91Å; F138-R242 HydrophobicContact CE1-CG 4.01Å; F138-R242 HydrophobicContact CZ-CB 4.07Å | ||
| 139 | L | 92.4 | Very high | 95.8 | Very high | 110 Ų | 110 | 36.6 Ų | 36.6 | 58% | 0.576 | 18% | 0.179 | S | C | * | . | trans | -74.8 | 161.1 | 176.2 | -54.9 | 174.8 | 0 | 0 | 0 | 110.8 | K141 E142 | L139-K141 PolarHBondContact O-N 2.79Å; L139-E142 HydrophobicContact CB-CG 3.95Å; L139-E142 WeakPolarHBondContact CB-OE2 3.31Å; L139-E142 WeakPolarHBondContact CG-OE2 3.35Å; L139-E142 PolarHBondContact N-OE2 2.99Å; L139-E142 WeakPolarHBondContact O-CB 3.5Å; L139-E142 PolarHBondContact O-N 2.8Å | ||
| 140 | D | 86.7 | Confident | 95.7 | Very high | 143 Ų | 143 | 36.8 Ų | 36.8 | 77% | 0.765 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -19.9 | -173.4 | -63.6 | -19 | 0 | 0 | 0 | 115.5 | Q172 | D140-Q172 PolarHBondContact O-NE2 2.89Š|
| 141 | K | 90.4 | Very high | 95.6 | Very high | 100 Ų | 100 | 36 Ų | 36 | 44% | 0.435 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 18.5 | -180 | -60.7 | -174.3 | 176.5 | -170 | 0 | 113.2 | S103 Q104 L139 | S103-K141 PolarHBondContact N-O 3.19Å; S103-K141 VanDerWaalsContact OG-CB 3.29Å; S103-K141 WeakPolarHBondContact OG-CB 3.47Å; S103-K141 PolarHBondContact OG-O 3.05Å; Q104-K141 PolarHBondContact N-O 3.19Å; L139-K141 PolarHBondContact O-N 2.79Å |
| 142 | E | 94.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134 | 178.3 | -66.1 | -177.8 | 146.9 | 0 | 0 | 109.7 | Q104 Y106 F138 L139 R242 | Q104-E142 HydrophobicContact CB-CG 4.37Å; Q104-E142 WeakPolarHBondContact O-CA 3.32Å; Y106-E142 HydrophobicContact CD2-CB 4.29Å; Y106-E142 HydrophobicContact CE2-CB 3.8Å; Y106-E142 HydrophobicContact CE2-CG 3.75Å; Y106-E142 PolarHBondContact OH-OE1 2.84Å; F138-E142 HydrophobicContact CB-CB 4.06Å; F138-E142 HydrophobicContact CD1-CB 4.07Å; L139-E142 HydrophobicContact CB-CG 3.95Å; L139-E142 WeakPolarHBondContact CB-OE2 3.31Å; L139-E142 WeakPolarHBondContact CG-OE2 3.35Å; L139-E142 PolarHBondContact N-OE2 2.99Å; L139-E142 WeakPolarHBondContact O-CB 3.5Å; L139-E142 PolarHBondContact O-N 2.8Å; E142-R242 IonicContact OE1-CZ 3.21Å; E142-R242 IonicContact OE1-NE 3.33Å; E142-R242 PolarHBondContact OE1-NE 2.89Å; E142-R242 VanDerWaalsContact OE1-NE 3.14Å; E142-R242 IonicContact OE1-NH2 2.94Å; E142-R242 PolarHBondContact OE1-NH2 3.09Å; E142-R242 WeakPolarHBondContact OE2-CD 3.45Å; E142-R242 IonicContact OE2-CZ 3.51Å; E142-R242 IonicContact OE2-NE 2.8Å; E142-R242 PolarHBondContact OE2-NE 3.07Å; E142-R242 IonicContact OE2-NH2 2.74Å |
| 143 | V | 96.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.8 | -178.6 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | V102 Q104 Y105 Y106 V145 Q172 E174 | V102-V143 HydrophobicContact CG1-CB 4.41Å; V102-V143 HydrophobicContact CG1-CG2 3.76Å; V102-V143 HydrophobicContact CG2-CG2 4.08Å; Q104-V143 PolarHBondContact O-N 2.9Å; Y105-V143 WeakPolarHBondContact CA-O 3.37Å; Y105-V143 HydrophobicContact CD1-CB 3.79Å; Y105-V143 HydrophobicContact CD1-CG1 4.04Å; Y105-V143 HydrophobicContact CE1-CB 3.94Å; Y105-V143 HydrophobicContact CE1-CG1 4.07Å; Y105-V143 HydrophobicContact CE1-CG2 4.27Å; Y106-V143 PolarHBondContact N-O 2.91Å; V143-V145 HydrophobicContact CG1-CG2 4.38Å; V143-Q172 HydrophobicContact CG2-CB 4.05Å; V143-E174 HydrophobicContact CG1-CB 4.46Å; V143-E174 HydrophobicContact CG1-CG 3.92Å |
| 144 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 114.3 | 169.5 | 179 | 59.4 | 0 | 0 | 0 | 109.8 | Y106 A108 M132 F138 L146 F171 Q172 Y173 E174 I241 F245 | Y106-L144 CarbonylContact O-C 3.57Å; Y106-L144 WeakPolarHBondContact O-CA 3.28Å; Y106-L144 WeakPolarHBondContact O-CD1 3.46Å; A108-L144 HydrophobicContact CB-CD1 4.2Å; M132-L144 HydrophobicContact SD-CD2 4.13Å; F138-L144 HydrophobicContact CE1-CB 4.4Å; F138-L144 HydrophobicContact CE2-CB 4Å; F138-L144 HydrophobicContact CE2-CD2 3.91Å; F138-L144 HydrophobicContact CE2-CG 4.42Å; F138-L144 HydrophobicContact CZ-CB 3.91Å; F138-L144 HydrophobicContact CZ-CD1 4.07Å; F138-L144 HydrophobicContact CZ-CD2 4.08Å; F138-L144 HydrophobicContact CZ-CG 4.24Å; L144-L146 HydrophobicContact CD1-CD2 4.48Å; L144-L146 HydrophobicContact CD2-CD2 4.01Å; L144-L146 HydrophobicContact CD2-CG 4.49Å; L144-L146 HydrophobicContact CG-CD2 4.05Å; L144-L146 HydrophobicContact CG-CG 4.28Å; L144-F171 HydrophobicContact CB-CD2 4.2Å; L144-F171 HydrophobicContact CB-CE2 4.21Å; L144-F171 HydrophobicContact CD2-CD2 4.46Å; L144-F171 HydrophobicContact CD2-CE2 3.79Å; L144-F171 HydrophobicContact CD2-CZ 4.32Å; L144-Q172 PolarHBondContact N-O 3Å; L144-Y173 CarbonylContact O-C 3.2Å; L144-Y173 WeakPolarHBondContact O-CA 3.46Å; L144-Y173 VanDerWaalsContact O-CB 3.28Å; L144-Y173 WeakPolarHBondContact O-CB 3.35Å; L144-E174 PolarHBondContact O-N 2.6Å; L144-I241 HydrophobicContact CD2-CG2 4.38Å; L144-F245 HydrophobicContact CD1-CE2 4.45Å; L144-F245 HydrophobicContact CD1-CZ 4.38Å |
| 145 | V | 98.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 115.9 | 174.6 | -168.7 | 0 | 0 | 0 | 0 | 108.9 | Y105 Y106 A108 V143 H147 E174 V176 | Y105-V145 HydrophobicContact CD1-CG2 3.67Å; Y105-V145 HydrophobicContact CG-CG2 4.46Å; Y106-V145 PolarHBondContact O-N 2.94Å; A108-V145 PolarHBondContact N-O 2.96Å; V143-V145 HydrophobicContact CG1-CG2 4.38Å; V145-H147 WeakPolarHBondContact CG1-NE2 3.3Å; V145-E174 WeakPolarHBondContact CA-O 3.18Å; V145-E174 HydrophobicContact CG1-CB 4.31Å; V145-E174 HydrophobicContact CG2-CB 4.42Å; V145-V176 HydrophobicContact CG1-CG2 3.92Å |
| 146 | L | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 106.4 | 178 | -63.2 | 171 | 0 | 0 | 0 | 109.2 | A108 M129 M132 L144 F148 L166 E174 V175 V176 | A108-L146 HydrophobicContact CB-CD2 4.28Å; M129-L146 HydrophobicContact CE-CD1 3.75Å; M129-L146 HydrophobicContact CE-CD2 4.48Å; M132-L146 HydrophobicContact SD-CD2 4.1Å; L144-L146 HydrophobicContact CD1-CD2 4.48Å; L144-L146 HydrophobicContact CD2-CD2 4.01Å; L144-L146 HydrophobicContact CD2-CG 4.49Å; L144-L146 HydrophobicContact CG-CD2 4.05Å; L144-L146 HydrophobicContact CG-CG 4.28Å; L146-F148 HydrophobicContact CB-CE2 3.74Å; L146-F148 HydrophobicContact CB-CZ 4.11Å; L146-L166 HydrophobicContact CD1-CD1 3.71Å; L146-L166 HydrophobicContact CD1-CD2 4.31Å; L146-E174 PolarHBondContact N-O 2.87Å; L146-V175 WeakPolarHBondContact O-CA 3.45Å; L146-V176 PolarHBondContact O-N 2.88Å |
| 147 | H | 98.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.5 | 174.4 | -60.9 | -84.3 | 0 | 0 | 0 | 110.3 | H107 A108 L109 M110 V145 V176 H178 | H107-H147 AromaticContact CE1-NE2 3.96Å; H107-H147 AromaticContact CG-NE2 3.72Å; H107-H147 AromaticContact ND1-CD2 3.93Å; H107-H147 AromaticContact ND1-CE1 3.82Å; H107-H147 AromaticContact ND1-NE2 2.9Å; H107-H147 PolarHBondContact ND1-NE2 2.81Å; A108-H147 PolarHBondContact O-N 3.16Å; L109-H147 CarbonylContact C-O 3.54Å; L109-H147 VanDerWaalsContact CA-O 3.27Å; L109-H147 WeakPolarHBondContact CA-O 3.27Å; L109-H147 HydrophobicContact CB-CB 4.04Å; L109-H147 HydrophobicContact CD1-CB 4.1Å; L109-H147 HydrophobicContact CG-CB 4.08Å; M110-H147 PolarHBondContact N-O 2.86Å; V145-H147 WeakPolarHBondContact CG1-NE2 3.3Å; H147-V176 CarbonylContact C-O 3.27Å; H147-V176 VanDerWaalsContact CA-O 3.28Å; H147-V176 WeakPolarHBondContact CA-O 3.34Å; H147-H178 AromaticContact CG-NE2 3.6Å; H147-H178 AromaticContact ND1-CE1 3.82Å; H147-H178 AromaticContact ND1-NE2 3.03Å; H147-H178 PolarHBondContact ND1-NE2 3.25Å |
| 148 | F | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 123.5 | 175.1 | -66 | -73.1 | 0 | 0 | 0 | 109.7 | M110 F112 F125 M129 L146 L162 V175 V176 F177 H178 | M110-F148 HydrophobicContact CB-CD1 4Å; M110-F148 HydrophobicContact CB-CE1 4.03Å; M110-F148 HydrophobicContact CG-CE1 4.29Å; M110-F148 WeakPolarHBondContact O-CA 3.44Å; M110-F148 HydrophobicContact SD-CE1 3.82Å; F112-F148 HydrophobicContact CB-CB 4.05Å; F112-F148 HydrophobicContact CB-CD1 3.92Å; F112-F148 HydrophobicContact CB-CG 4.4Å; F112-F148 HydrophobicContact CD2-CD1 4.34Å; F112-F148 HydrophobicContact CG-CD1 4.15Å; F125-F148 AromaticContact CE2-CE1 3.7Å; F125-F148 HydrophobicContact CE2-CE1 3.7Å; F125-F148 HydrophobicContact CE2-CZ 4.13Å; F125-F148 HydrophobicContact CZ-CE1 4.05Å; F125-F148 HydrophobicContact CZ-CZ 4.18Å; M129-F148 HydrophobicContact CE-CZ 4.41Å; L146-F148 HydrophobicContact CB-CE2 3.74Å; L146-F148 HydrophobicContact CB-CZ 4.11Å; F148-L162 HydrophobicContact CD2-CD1 3.96Å; F148-L162 HydrophobicContact CE2-CD1 3.44Å; F148-L162 VanDerWaalsContact CE2-CD1 3.44Å; F148-L162 HydrophobicContact CE2-CD2 3.97Å; F148-L162 HydrophobicContact CE2-CG 4.36Å; F148-L162 HydrophobicContact CZ-CD1 4.06Å; F148-L162 HydrophobicContact CZ-CD2 3.83Å; F148-V175 HydrophobicContact CD2-CG1 3.82Å; F148-V175 HydrophobicContact CE2-CG1 3.91Å; F148-V176 PolarHBondContact N-O 2.82Å; F148-F177 HydrophobicContact CB-CD1 3.54Å; F148-F177 HydrophobicContact CB-CE1 3.62Å; F148-F177 HydrophobicContact CB-CG 4.45Å; F148-F177 HydrophobicContact CD2-CD1 4.46Å; F148-F177 AromaticContact CD2-CE1 3.99Å; F148-F177 HydrophobicContact CD2-CE1 3.99Å; F148-F177 HydrophobicContact CD2-CZ 4.17Å; F148-F177 HydrophobicContact CG-CD1 4.38Å; F148-F177 HydrophobicContact CG-CE1 4.02Å; F148-F177 CarbonylContact O-C 3.45Å; F148-F177 WeakPolarHBondContact O-CA 3.36Å; F148-H178 PolarHBondContact O-N 3.09Å |
| 149 | V | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 114.6 | 170.6 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | L109 M110 M111 F112 H178 V180 L183 I210 L213 | L109-V149 HydrophobicContact CD1-CG2 4.04Å; L109-V149 HydrophobicContact CD2-CG2 4.08Å; L109-V149 HydrophobicContact CG-CG2 4.24Å; M110-V149 PolarHBondContact O-N 3.19Å; M111-V149 HydrophobicContact CE-CB 3.8Å; M111-V149 HydrophobicContact CE-CG1 3.66Å; M111-V149 HydrophobicContact SD-CB 3.84Å; M111-V149 HydrophobicContact SD-CG1 4.26Å; M111-V149 HydrophobicContact SD-CG2 4.06Å; F112-V149 CarbonylContact C-O 3.54Å; F112-V149 VanDerWaalsContact C-O 3.27Å; F112-V149 WeakPolarHBondContact CA-O 3.3Å; F112-V149 PolarHBondContact N-O 3.08Å; V149-H178 WeakPolarHBondContact CA-O 3.48Å; V149-H178 HydrophobicContact CG2-CB 4.28Å; V149-V180 HydrophobicContact CG1-CB 4.01Å; V149-V180 HydrophobicContact CG1-CG2 4.21Å; V149-L183 HydrophobicContact CB-CD1 4.33Å; V149-L183 HydrophobicContact CG1-CD1 3.79Å; V149-L183 HydrophobicContact CG2-CD1 3.64Å; V149-I210 HydrophobicContact CG1-CD1 3.94Å; V149-I210 HydrophobicContact CG1-CG1 4.23Å; V149-L213 HydrophobicContact CG2-CD2 3.75Å |
| 150 | S | 96.1 | Very high | 96 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 152 | -167.2 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | F112 F177 H178 V180 | F112-S150 WeakPolarHBondContact O-CA 3.48Å; F112-S150 VanDerWaalsContact O-CB 3.25Å; F112-S150 WeakPolarHBondContact O-CB 3.3Å; S150-F177 WeakPolarHBondContact OG-CD1 3.44Å; S150-H178 PolarHBondContact N-O 3.23Å; S150-V180 PolarHBondContact O-N 3.46Å |
| 151 | D | 94.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 36 Ų | 36 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | trans | -75.5 | 162.9 | 154.3 | 56.1 | 84.5 | 0 | 0 | 0 | 110.8 | T113 K114 A153 S154 R155 V180 | T113-D151 WeakPolarHBondContact CA-OD2 3.46Å; K114-D151 PolarHBondContact N-OD2 2.93Å; D151-A153 PolarHBondContact O-N 2.92Å; D151-A153 PolarHBondContact OD1-N 3.31Å; D151-S154 PolarHBondContact O-N 3.17Å; D151-S154 WeakPolarHBondContact OD1-CB 3.25Å; D151-S154 PolarHBondContact OD1-N 3.21Å; D151-S154 PolarHBondContact OD1-OG 2.76Å; D151-S154 PolarHBondContact OD2-OG 2.76Å; D151-S154 VanDerWaalsContact OD2-OG 3.11Å; D151-R155 PolarHBondContact O-N 2.89Å; D151-V180 HydrophobicContact CB-CG1 4.12Å | ||
| 152 | E | 95.4 | Very high | 96.6 | Very high | 97 Ų | 97 | 31.5 Ų | 31.5 | 45% | 0.453 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -57.5 | -43.1 | -174.6 | -170.8 | 62.8 | -167.2 | 0 | 0 | 113.2 | S154 R155 E156 | E152-S154 PolarHBondContact O-N 2.96Å; E152-R155 WeakPolarHBondContact O-CB 3.33Å; E152-R155 PolarHBondContact O-N 3.05Å; E152-R155 IonicContact OE2-NH1 3.99Å; E152-E156 PolarHBondContact O-N 2.88Å |
| 153 | A | 96.2 | Very high | 96.5 | Very high | 39 Ų | 39 | 34.1 Ų | 34.1 | 32% | 0.322 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.1 | -39.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D116 D151 L157 | D116-A153 HydrophobicContact CB-CB 4.17Å; D116-A153 WeakPolarHBondContact OD2-CB 3.42Å; D151-A153 PolarHBondContact O-N 2.92Å; D151-A153 PolarHBondContact OD1-N 3.31Å; A153-L157 PolarHBondContact O-N 2.9Å |
| 154 | S | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -41.5 | 173.6 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | F112 K114 V115 D116 D151 E152 E156 L157 G158 | F112-S154 WeakPolarHBondContact CE1-O 3.48Å; F112-S154 WeakPolarHBondContact O-CB 3.37Å; K114-S154 PolarHBondContact N-OG 3.21Å; V115-S154 PolarHBondContact N-OG 3.44Å; D116-S154 PolarHBondContact OD1-OG 2.87Å; D151-S154 PolarHBondContact O-N 3.17Å; D151-S154 WeakPolarHBondContact OD1-CB 3.25Å; D151-S154 PolarHBondContact OD1-N 3.21Å; D151-S154 PolarHBondContact OD1-OG 2.76Å; D151-S154 PolarHBondContact OD2-OG 2.76Å; D151-S154 VanDerWaalsContact OD2-OG 3.11Å; E152-S154 PolarHBondContact O-N 2.96Å; S154-E156 PolarHBondContact O-N 2.85Å; S154-L157 WeakPolarHBondContact O-CB 3.38Å; S154-L157 PolarHBondContact O-N 2.99Å; S154-G158 PolarHBondContact O-N 3.03Å |
| 155 | R | 97.4 | Very high | 96.3 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 22% | 0.219 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.5 | -52.4 | 174.6 | 174.6 | -178.7 | 167.8 | -171.1 | -2.1 | 112.3 | V91 D151 E152 L157 G158 E159 F177 | V91-R155 VanDerWaalsContact CB-NH2 3.28Å; D151-R155 PolarHBondContact O-N 2.89Å; E152-R155 WeakPolarHBondContact O-CB 3.33Å; E152-R155 PolarHBondContact O-N 3.05Å; E152-R155 IonicContact OE2-NH1 3.99Å; R155-L157 PolarHBondContact O-N 2.96Å; R155-G158 WeakPolarHBondContact O-CA 3.35Å; R155-G158 PolarHBondContact O-N 3.21Å; R155-E159 HydrophobicContact CG-CG 4.37Å; R155-E159 IonicContact CZ-OE1 2.92Å; R155-E159 IonicContact NE-OE1 2.88Å; R155-E159 PolarHBondContact NE-OE1 2.82Å; R155-E159 IonicContact NH2-OE1 3.83Å; R155-E159 PolarHBondContact NH2-OE1 2.99Å; R155-E159 WeakPolarHBondContact O-CG 3.35Å; R155-E159 PolarHBondContact O-N 2.88Å; R155-F177 HydrophobicContact CB-CD1 4.12Å; R155-F177 HydrophobicContact CB-CE1 4.44Å; R155-F177 HydrophobicContact CB-CG 4.47Å; R155-F177 HydrophobicContact CG-CB 4.12Å; R155-F177 HydrophobicContact CG-CD1 3.85Å; R155-F177 HydrophobicContact CG-CD2 4.07Å; R155-F177 HydrophobicContact CG-CE1 4.25Å; R155-F177 HydrophobicContact CG-CE2 4.44Å; R155-F177 HydrophobicContact CG-CG 3.75Å |
| 156 | E | 97.6 | Very high | 96.1 | Very high | 96 Ų | 96 | 40.1 Ų | 40.1 | 45% | 0.449 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.6 | -37.9 | 178.3 | -71.8 | -176.7 | -178.6 | 0 | 0 | 112.1 | E152 S154 R160 | E152-E156 PolarHBondContact O-N 2.88Å; S154-E156 PolarHBondContact O-N 2.85Å; E156-R160 WeakPolarHBondContact O-CG 3.32Å; E156-R160 PolarHBondContact O-N 3.4Å |
| 157 | L | 97 | Very high | 95.7 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 12% | 0.12 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 174.2 | 178.1 | 63.4 | 0 | 0 | 0 | 111.6 | V115 D116 Q122 A153 S154 R155 R160 M161 | V115-L157 HydrophobicContact CG1-CD2 4.17Å; D116-L157 HydrophobicContact CB-CD2 4.41Å; Q122-L157 HydrophobicContact CG-CD2 3.94Å; A153-L157 PolarHBondContact O-N 2.9Å; S154-L157 WeakPolarHBondContact O-CB 3.38Å; S154-L157 PolarHBondContact O-N 2.99Å; R155-L157 PolarHBondContact O-N 2.96Å; L157-R160 PolarHBondContact O-N 3.23Å; L157-M161 HydrophobicContact CD1-CG 3.93Å; L157-M161 HydrophobicContact CD1-SD 3.62Å; L157-M161 HydrophobicContact CD2-SD 3.98Å; L157-M161 HydrophobicContact CG-CG 4.24Å; L157-M161 HydrophobicContact CG-SD 3.56Å; L157-M161 VanDerWaalsContact CG-SD 3.56Å; L157-M161 WeakPolarHBondContact O-CG 3.49Å; L157-M161 PolarHBondContact O-N 3.35Å |
| 158 | G | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -45 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S154 R155 R160 M161 L162 | S154-G158 PolarHBondContact O-N 3.03Å; R155-G158 WeakPolarHBondContact O-CA 3.35Å; R155-G158 PolarHBondContact O-N 3.21Å; G158-R160 PolarHBondContact O-N 3.33Å; G158-M161 PolarHBondContact O-N 3.29Å; G158-M161 VanDerWaalsContact O-N 3.17Å; G158-L162 VanDerWaalsContact O-CB 3.32Å; G158-L162 WeakPolarHBondContact O-CB 3.26Å; G158-L162 WeakPolarHBondContact O-CD1 3.44Å; G158-L162 WeakPolarHBondContact O-CG 3.44Å; G158-L162 PolarHBondContact O-N 3.18Å |
| 159 | E | 96.3 | Very high | 94.5 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.2 | -32.4 | 176.8 | -72.5 | 178.1 | 177.2 | 0 | 0 | 112.4 | R155 P163 F177 | R155-E159 HydrophobicContact CG-CG 4.37Å; R155-E159 IonicContact CZ-OE1 2.92Å; R155-E159 IonicContact NE-OE1 2.88Å; R155-E159 PolarHBondContact NE-OE1 2.82Å; R155-E159 IonicContact NH2-OE1 3.83Å; R155-E159 PolarHBondContact NH2-OE1 2.99Å; R155-E159 WeakPolarHBondContact O-CG 3.35Å; R155-E159 PolarHBondContact O-N 2.88Å; E159-P163 VanDerWaalsContact O-CD 3.28Å; E159-P163 WeakPolarHBondContact O-CD 3.46Å; E159-F177 HydrophobicContact CG-CD2 4.31Å; E159-F177 HydrophobicContact CG-CE2 3.64Å; E159-F177 HydrophobicContact CG-CZ 4.14Å |
| 160 | R | 95.3 | Very high | 93.9 | Very high | 166 Ų | 166 | 55.2 Ų | 55.2 | 63% | 0.626 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -79.8 | -40.3 | 174.3 | -67.8 | -175 | -64.7 | -124.5 | -3.3 | 113.4 | E156 L157 G158 | E156-R160 WeakPolarHBondContact O-CG 3.32Å; E156-R160 PolarHBondContact O-N 3.4Å; L157-R160 PolarHBondContact O-N 3.23Å; G158-R160 PolarHBondContact O-N 3.33Å |
| 161 | M | 95.3 | Very high | 93.7 | Very high | 32 Ų | 32 | 55.5 Ų | 55.5 | 16% | 0.158 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -78.8 | -43.7 | -173.3 | -70.1 | 179 | 71.5 | 0 | 0 | 113 | F125 L157 G158 E164 L165 | F125-M161 HydrophobicContact CD1-CE 4.16Å; L157-M161 HydrophobicContact CD1-CG 3.93Å; L157-M161 HydrophobicContact CD1-SD 3.62Å; L157-M161 HydrophobicContact CD2-SD 3.98Å; L157-M161 HydrophobicContact CG-CG 4.24Å; L157-M161 HydrophobicContact CG-SD 3.56Å; L157-M161 VanDerWaalsContact CG-SD 3.56Å; L157-M161 WeakPolarHBondContact O-CG 3.49Å; L157-M161 PolarHBondContact O-N 3.35Å; G158-M161 PolarHBondContact O-N 3.29Å; G158-M161 VanDerWaalsContact O-N 3.17Å; M161-E164 PolarHBondContact O-N 3.47Å; M161-E164 VanDerWaalsContact O-N 3.13Å; M161-L165 HydrophobicContact CB-CD1 4.19Å; M161-L165 HydrophobicContact CE-CD1 4.33Å; M161-L165 WeakPolarHBondContact O-CG 3.37Å; M161-L165 PolarHBondContact O-N 3.21Å; M161-L165 VanDerWaalsContact O-N 3.12Å |
| 162 | L | 95.5 | Very high | 93.7 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.3 | -42.6 | -170.4 | -79.5 | 164.4 | 0 | 0 | 0 | 114.5 | F125 M129 F148 G158 E164 L165 L166 V175 F177 | F125-L162 HydrophobicContact CE1-CD2 4.44Å; F125-L162 HydrophobicContact CZ-CD2 3.74Å; F125-L162 HydrophobicContact CZ-CG 4.2Å; M129-L162 HydrophobicContact CE-CD2 3.96Å; M129-L162 HydrophobicContact CG-CD2 4.5Å; F148-L162 HydrophobicContact CD2-CD1 3.96Å; F148-L162 HydrophobicContact CE2-CD1 3.44Å; F148-L162 VanDerWaalsContact CE2-CD1 3.44Å; F148-L162 HydrophobicContact CE2-CD2 3.97Å; F148-L162 HydrophobicContact CE2-CG 4.36Å; F148-L162 HydrophobicContact CZ-CD1 4.06Å; F148-L162 HydrophobicContact CZ-CD2 3.83Å; G158-L162 VanDerWaalsContact O-CB 3.32Å; G158-L162 WeakPolarHBondContact O-CB 3.26Å; G158-L162 WeakPolarHBondContact O-CD1 3.44Å; G158-L162 WeakPolarHBondContact O-CG 3.44Å; G158-L162 PolarHBondContact O-N 3.18Å; L162-E164 VanDerWaalsContact C-N 3.26Å; L162-E164 PolarHBondContact O-N 3.43Å; L162-L165 PolarHBondContact O-N 3.16Å; L162-L166 HydrophobicContact CD2-CD1 4.07Å; L162-L166 HydrophobicContact CD2-CG 4.47Å; L162-L166 WeakPolarHBondContact O-CB 3.2Å; L162-L166 WeakPolarHBondContact O-CG 3.25Å; L162-L166 PolarHBondContact O-N 3.26Å; L162-V175 HydrophobicContact CD1-CG1 3.8Å; L162-V175 HydrophobicContact CD1-CG2 4.33Å; L162-F177 HydrophobicContact CD1-CZ 3.87Å |
| 163 | P | 93.2 | Very high | 93.7 | Very high | 64 Ų | 64 | 52.4 Ų | 52.4 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.8 | -37.5 | 177.5 | -26.2 | 35.8 | 0 | 0 | 0 | 113.4 | E159 L167 | E159-P163 VanDerWaalsContact O-CD 3.28Å; E159-P163 WeakPolarHBondContact O-CD 3.46Å; P163-L167 PolarHBondContact O-N 3.33Å |
| 164 | E | 93.6 | Very high | 93.6 | Very high | 132 Ų | 132 | 51.5 Ų | 51.5 | 62% | 0.617 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -71.7 | -46.3 | 177.1 | -171.5 | -169.2 | 153.9 | 0 | 0 | 111.1 | M161 L162 L166 L167 | M161-E164 PolarHBondContact O-N 3.47Å; M161-E164 VanDerWaalsContact O-N 3.13Å; L162-E164 VanDerWaalsContact C-N 3.26Å; L162-E164 PolarHBondContact O-N 3.43Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 2.74Å; E164-L167 WeakPolarHBondContact O-CB 3.45Å; E164-L167 PolarHBondContact O-N 3.42Å |
| 165 | L | 95.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.1 | -33.5 | -176 | -61.1 | 177.5 | 0 | 0 | 0 | 112.8 | F125 R126 M129 L130 M161 L162 | F125-L165 HydrophobicContact CD1-CD1 4.11Å; F125-L165 HydrophobicContact CE1-CD1 3.81Å; R126-L165 HydrophobicContact CB-CD2 4.31Å; R126-L165 HydrophobicContact CG-CD2 3.78Å; M129-L165 HydrophobicContact CB-CB 4.01Å; M129-L165 HydrophobicContact CB-CD1 3.96Å; M129-L165 HydrophobicContact CG-CD1 4.26Å; L130-L165 HydrophobicContact CD1-CD2 4.4Å; L130-L165 HydrophobicContact CD2-CD2 4.04Å; L130-L165 HydrophobicContact CG-CD2 3.96Å; M161-L165 HydrophobicContact CB-CD1 4.19Å; M161-L165 HydrophobicContact CE-CD1 4.33Å; M161-L165 WeakPolarHBondContact O-CG 3.37Å; M161-L165 PolarHBondContact O-N 3.21Å; M161-L165 VanDerWaalsContact O-N 3.12Å; L162-L165 PolarHBondContact O-N 3.16Å |
| 166 | L | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -3.1 | -178.6 | -64.9 | 175.6 | 0 | 0 | 0 | 113.2 | M129 A133 L146 L162 E164 V168 G169 Y173 | M129-L166 HydrophobicContact CE-CD2 3.73Å; M129-L166 HydrophobicContact CE-CG 4.39Å; A133-L166 HydrophobicContact CB-CD2 4.14Å; L146-L166 HydrophobicContact CD1-CD1 3.71Å; L146-L166 HydrophobicContact CD1-CD2 4.31Å; L162-L166 HydrophobicContact CD2-CD1 4.07Å; L162-L166 HydrophobicContact CD2-CG 4.47Å; L162-L166 WeakPolarHBondContact O-CB 3.2Å; L162-L166 WeakPolarHBondContact O-CG 3.25Å; L162-L166 PolarHBondContact O-N 3.26Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 2.74Å; L166-V168 PolarHBondContact O-N 2.92Å; L166-G169 PolarHBondContact O-N 3.34Å; L166-Y173 HydrophobicContact CB-CE1 4.02Å; L166-Y173 HydrophobicContact CD1-CD1 4.49Å; L166-Y173 HydrophobicContact CD1-CD2 3.78Å; L166-Y173 HydrophobicContact CD1-CE1 4.29Å; L166-Y173 HydrophobicContact CD1-CE2 3.56Å; L166-Y173 HydrophobicContact CD1-CG 4.26Å |
| 167 | L | 90.1 | Very high | 93.7 | Very high | 116 Ų | 116 | 45.8 Ų | 45.8 | 61% | 0.607 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -35.8 | -177.4 | -173.4 | 65.6 | 0 | 0 | 0 | 112.6 | P163 E164 G169 | P163-L167 PolarHBondContact O-N 3.33Å; E164-L167 WeakPolarHBondContact O-CB 3.45Å; E164-L167 PolarHBondContact O-N 3.42Å; L167-G169 VanDerWaalsContact C-N 3.25Å; L167-G169 PolarHBondContact O-N 3.18Å |
| 168 | V | 86.4 | Confident | 93.7 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 53% | 0.533 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -15.9 | 179.9 | -59.6 | 0 | 0 | 0 | 0 | 113.3 | A133 L166 | A133-V168 HydrophobicContact CB-CG2 3.57Å; L166-V168 PolarHBondContact O-N 2.92Å |
| 169 | G | 84.9 | Confident | 93.6 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | trans | -73.7 | 139.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R95 L166 L167 | R95-G169 PolarHBondContact NH1-O 3Å; L166-G169 PolarHBondContact O-N 3.34Å; L167-G169 VanDerWaalsContact C-N 3.25Å; L167-G169 PolarHBondContact O-N 3.18Å | ||
| 170 | T | 86.5 | Confident | 93.4 | Very high | 124 Ų | 124 | 47.4 Ų | 47.4 | 76% | 0.761 | 24% | 0.242 | S | C | * | . | trans | -98.3 | 0.9 | 177.8 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 171 | F | 91.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -98.2 | 159.9 | -175.4 | 56.5 | -88.1 | 0 | 0 | 0 | 112.7 | S136 F138 L144 Y173 | S136-F171 VanDerWaalsContact CB-CE1 3.48Å; F138-F171 HydrophobicContact CB-CB 3.87Å; F138-F171 HydrophobicContact CD2-CB 3.74Å; F138-F171 HydrophobicContact CD2-CD1 4.36Å; F138-F171 HydrophobicContact CD2-CD2 4.03Å; F138-F171 AromaticContact CD2-CG 3.79Å; F138-F171 HydrophobicContact CD2-CG 3.79Å; F138-F171 HydrophobicContact CE2-CD2 4.37Å; F138-F171 HydrophobicContact CE2-CG 4.43Å; F138-F171 HydrophobicContact CG-CB 4.22Å; L144-F171 HydrophobicContact CB-CD2 4.2Å; L144-F171 HydrophobicContact CB-CE2 4.21Å; L144-F171 HydrophobicContact CD2-CD2 4.46Å; L144-F171 HydrophobicContact CD2-CE2 3.79Å; L144-F171 HydrophobicContact CD2-CZ 4.32Å; F171-Y173 HydrophobicContact CE2-CD1 4.38Å |
| 172 | Q | 93.3 | Very high | 92.9 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 136.6 | 172 | -61.7 | -174.1 | 19.5 | 0 | 0 | 110.4 | D140 V143 L144 | D140-Q172 PolarHBondContact O-NE2 2.89Å; V143-Q172 HydrophobicContact CG2-CB 4.05Å; L144-Q172 PolarHBondContact N-O 3Å |
| 173 | Y | 94.8 | Very high | 92.8 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 9% | 0.09 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 155.4 | 178 | 69.6 | -90.8 | 0 | 0 | 0 | 112.5 | R95 L144 L166 F171 V175 | R95-Y173 HydrophobicContact CB-CE1 3.96Å; L144-Y173 CarbonylContact O-C 3.2Å; L144-Y173 WeakPolarHBondContact O-CA 3.46Å; L144-Y173 VanDerWaalsContact O-CB 3.28Å; L144-Y173 WeakPolarHBondContact O-CB 3.35Å; L166-Y173 HydrophobicContact CB-CE1 4.02Å; L166-Y173 HydrophobicContact CD1-CD1 4.49Å; L166-Y173 HydrophobicContact CD1-CD2 3.78Å; L166-Y173 HydrophobicContact CD1-CE1 4.29Å; L166-Y173 HydrophobicContact CD1-CE2 3.56Å; L166-Y173 HydrophobicContact CD1-CG 4.26Å; F171-Y173 HydrophobicContact CE2-CD1 4.38Å; Y173-V175 HydrophobicContact CD2-CG2 3.97Å; Y173-V175 HydrophobicContact CE2-CG2 4.02Å |
| 174 | E | 95.9 | Very high | 92.5 | Very high | 19 Ų | 19 | 40.5 Ų | 40.5 | 9% | 0.089 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.9 | 168.5 | -67.4 | -171 | -143.9 | 0 | 0 | 109 | R94 V143 L144 V145 L146 | R94-E174 IonicContact NE-OE2 3.71Å; R94-E174 IonicContact NH2-OE2 3.14Å; V143-E174 HydrophobicContact CG1-CB 4.46Å; V143-E174 HydrophobicContact CG1-CG 3.92Å; L144-E174 PolarHBondContact O-N 2.6Å; V145-E174 WeakPolarHBondContact CA-O 3.18Å; V145-E174 HydrophobicContact CG1-CB 4.31Å; V145-E174 HydrophobicContact CG2-CB 4.42Å; L146-E174 PolarHBondContact N-O 2.87Å |
| 175 | V | 97.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.5 | 175 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | A93 L146 F148 L162 Y173 F177 | A93-V175 HydrophobicContact CB-CB 4.46Å; L146-V175 WeakPolarHBondContact O-CA 3.45Å; F148-V175 HydrophobicContact CD2-CG1 3.82Å; F148-V175 HydrophobicContact CE2-CG1 3.91Å; L162-V175 HydrophobicContact CD1-CG1 3.8Å; L162-V175 HydrophobicContact CD1-CG2 4.33Å; Y173-V175 HydrophobicContact CD2-CG2 3.97Å; Y173-V175 HydrophobicContact CE2-CG2 4.02Å; V175-F177 HydrophobicContact CG1-CD2 4.09Å; V175-F177 HydrophobicContact CG1-CE2 3.57Å; V175-F177 HydrophobicContact CG1-CZ 4.05Å |
| 176 | V | 97.7 | Very high | 92 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.3 | 178.4 | 177.1 | 0 | 0 | 0 | 0 | 108.7 | E90 V145 L146 H147 F148 | E90-V176 HydrophobicContact CG-CG1 4.22Å; E90-V176 WeakPolarHBondContact OE1-CG1 3.45Å; V145-V176 HydrophobicContact CG1-CG2 3.92Å; L146-V176 PolarHBondContact O-N 2.88Å; H147-V176 CarbonylContact C-O 3.27Å; H147-V176 VanDerWaalsContact CA-O 3.28Å; H147-V176 WeakPolarHBondContact CA-O 3.34Å; F148-V176 PolarHBondContact N-O 2.82Å |
| 177 | F | 97.7 | Very high | 91.8 | Very high | 28 Ų | 28 | 46.8 Ų | 46.8 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 136.7 | 172.5 | -70.5 | -85.8 | 0 | 0 | 0 | 110.4 | F148 S150 R155 E159 L162 V175 | F148-F177 HydrophobicContact CB-CD1 3.54Å; F148-F177 HydrophobicContact CB-CE1 3.62Å; F148-F177 HydrophobicContact CB-CG 4.45Å; F148-F177 HydrophobicContact CD2-CD1 4.46Å; F148-F177 AromaticContact CD2-CE1 3.99Å; F148-F177 HydrophobicContact CD2-CE1 3.99Å; F148-F177 HydrophobicContact CD2-CZ 4.17Å; F148-F177 HydrophobicContact CG-CD1 4.38Å; F148-F177 HydrophobicContact CG-CE1 4.02Å; F148-F177 CarbonylContact O-C 3.45Å; F148-F177 WeakPolarHBondContact O-CA 3.36Å; S150-F177 WeakPolarHBondContact OG-CD1 3.44Å; R155-F177 HydrophobicContact CB-CD1 4.12Å; R155-F177 HydrophobicContact CB-CE1 4.44Å; R155-F177 HydrophobicContact CB-CG 4.47Å; R155-F177 HydrophobicContact CG-CB 4.12Å; R155-F177 HydrophobicContact CG-CD1 3.85Å; R155-F177 HydrophobicContact CG-CD2 4.07Å; R155-F177 HydrophobicContact CG-CE1 4.25Å; R155-F177 HydrophobicContact CG-CE2 4.44Å; R155-F177 HydrophobicContact CG-CG 3.75Å; E159-F177 HydrophobicContact CG-CD2 4.31Å; E159-F177 HydrophobicContact CG-CE2 3.64Å; E159-F177 HydrophobicContact CG-CZ 4.14Å; L162-F177 HydrophobicContact CD1-CZ 3.87Å; V175-F177 HydrophobicContact CG1-CD2 4.09Å; V175-F177 HydrophobicContact CG1-CE2 3.57Å; V175-F177 HydrophobicContact CG1-CZ 4.05Å |
| 178 | H | 97.1 | Very high | 91.7 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 15% | 0.153 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.6 | 174.4 | -57.5 | -83.9 | 0 | 0 | 0 | 109.3 | H147 F148 V149 S150 V180 L183 | H147-H178 AromaticContact CG-NE2 3.6Å; H147-H178 AromaticContact ND1-CE1 3.82Å; H147-H178 AromaticContact ND1-NE2 3.03Å; H147-H178 PolarHBondContact ND1-NE2 3.25Å; F148-H178 PolarHBondContact O-N 3.09Å; V149-H178 WeakPolarHBondContact CA-O 3.48Å; V149-H178 HydrophobicContact CG2-CB 4.28Å; S150-H178 PolarHBondContact N-O 3.23Å; H178-V180 PolarHBondContact O-N 3.19Å; H178-L183 HydrophobicContact CB-CD1 3.71Å; H178-L183 HydrophobicContact CB-CG 4.26Å |
| 179 | D | 94.6 | Very high | 91.7 | Very high | 73 Ų | 73 | 46.1 Ų | 46.1 | 39% | 0.39 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 122 | 177.3 | -178.2 | -79.6 | 0 | 0 | 0 | 110.9 | G181 V182 L183 | D179-G181 VanDerWaalsContact C-N 3.3Å; D179-G181 PolarHBondContact O-N 3.49Å; D179-G181 WeakPolarHBondContact OD1-CA 3.36Å; D179-G181 PolarHBondContact OD1-N 3.2Å; D179-V182 HydrophobicContact CB-CB 4.14Å; D179-V182 HydrophobicContact CB-CG2 3.92Å; D179-V182 PolarHBondContact O-N 2.98Å; D179-V182 PolarHBondContact OD1-N 2.87Å; D179-L183 WeakPolarHBondContact O-CG 3.27Å; D179-L183 PolarHBondContact O-N 3.22Å; D179-L183 VanDerWaalsContact O-N 3.07Å |
| 180 | V | 92.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 48 Ų | 48 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -37.1 | -179.3 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | T113 V149 S150 D151 H178 L183 S184 I210 | T113-V180 HydrophobicContact CG2-CB 4.03Å; T113-V180 HydrophobicContact CG2-CG1 4.33Å; T113-V180 HydrophobicContact CG2-CG2 3.87Å; V149-V180 HydrophobicContact CG1-CB 4.01Å; V149-V180 HydrophobicContact CG1-CG2 4.21Å; S150-V180 PolarHBondContact O-N 3.46Å; D151-V180 HydrophobicContact CB-CG1 4.12Å; H178-V180 PolarHBondContact O-N 3.19Å; V180-L183 PolarHBondContact O-N 3.22Å; V180-S184 WeakPolarHBondContact O-CB 3.23Å; V180-S184 PolarHBondContact O-N 3.27Å; V180-S184 PolarHBondContact O-OG 3.17Å; V180-I210 HydrophobicContact CG2-CB 4.22Å; V180-I210 HydrophobicContact CG2-CD1 4.09Å; V180-I210 HydrophobicContact CG2-CG1 3.85Å; V180-I210 HydrophobicContact CG2-CG2 4.41Å |
| 181 | G | 89 | Confident | 91.7 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 32% | 0.32 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D179 S184 Q185 | D179-G181 VanDerWaalsContact C-N 3.3Å; D179-G181 PolarHBondContact O-N 3.49Å; D179-G181 WeakPolarHBondContact OD1-CA 3.36Å; D179-G181 PolarHBondContact OD1-N 3.2Å; G181-S184 PolarHBondContact O-N 3.2Å; G181-Q185 VanDerWaalsContact O-CG 3.32Å; G181-Q185 WeakPolarHBondContact O-CG 3.28Å; G181-Q185 PolarHBondContact O-N 3.47Å |
| 182 | V | 91.3 | Very high | 91.4 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 40% | 0.4 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | D179 Q185 K186 | D179-V182 HydrophobicContact CB-CB 4.14Å; D179-V182 HydrophobicContact CB-CG2 3.92Å; D179-V182 PolarHBondContact O-N 2.98Å; D179-V182 PolarHBondContact OD1-N 2.87Å; V182-Q185 PolarHBondContact O-N 2.85Å; V182-K186 WeakPolarHBondContact O-CG 3.42Å; V182-K186 PolarHBondContact O-N 3.38Å; V182-K186 VanDerWaalsContact O-N 3.14Å |
| 183 | L | 91.8 | Very high | 90.7 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 178.4 | -62.4 | -171.8 | 0 | 0 | 0 | 111.9 | V149 H178 D179 V180 Q185 K186 L187 I210 L213 I220 | V149-L183 HydrophobicContact CB-CD1 4.33Å; V149-L183 HydrophobicContact CG1-CD1 3.79Å; V149-L183 HydrophobicContact CG2-CD1 3.64Å; H178-L183 HydrophobicContact CB-CD1 3.71Å; H178-L183 HydrophobicContact CB-CG 4.26Å; D179-L183 WeakPolarHBondContact O-CG 3.27Å; D179-L183 PolarHBondContact O-N 3.22Å; D179-L183 VanDerWaalsContact O-N 3.07Å; V180-L183 PolarHBondContact O-N 3.22Å; L183-Q185 VanDerWaalsContact C-N 3.3Å; L183-Q185 PolarHBondContact O-N 2.89Å; L183-K186 PolarHBondContact O-N 3.03Å; L183-L187 WeakPolarHBondContact O-CB 3.36Å; L183-L187 VanDerWaalsContact O-CG 3.29Å; L183-L187 WeakPolarHBondContact O-CG 3.42Å; L183-L187 PolarHBondContact O-N 3.22Å; L183-I210 HydrophobicContact CB-CD1 3.78Å; L183-I210 HydrophobicContact CD1-CD1 4.42Å; L183-L213 HydrophobicContact CD1-CD1 4.37Å; L183-L213 HydrophobicContact CD1-CD2 4.31Å; L183-I220 HydrophobicContact CD2-CG2 3.54Å |
| 184 | S | 88.6 | Confident | 90 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -41.5 | 175.7 | -79.2 | 0 | 0 | 0 | 0 | 111.9 | V180 G181 L187 F188 D208 | V180-S184 WeakPolarHBondContact O-CB 3.23Å; V180-S184 PolarHBondContact O-N 3.27Å; V180-S184 PolarHBondContact O-OG 3.17Å; G181-S184 PolarHBondContact O-N 3.2Å; S184-L187 PolarHBondContact O-N 3.08Å; S184-F188 WeakPolarHBondContact O-CB 3.37Å; S184-F188 PolarHBondContact O-N 3.31Å; S184-D208 PolarHBondContact OG-OD1 3.15Å; S184-D208 VanDerWaalsContact OG-OD1 3.07Å |
| 185 | Q | 88.3 | Confident | 89.2 | Confident | 150 Ų | 150 | 45.3 Ų | 45.3 | 70% | 0.701 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.1 | -42.1 | 176.3 | -73.2 | 173.7 | 15.2 | 0 | 0 | 112.5 | G181 V182 L183 P189 | G181-Q185 VanDerWaalsContact O-CG 3.32Å; G181-Q185 WeakPolarHBondContact O-CG 3.28Å; G181-Q185 PolarHBondContact O-N 3.47Å; V182-Q185 PolarHBondContact O-N 2.85Å; L183-Q185 VanDerWaalsContact C-N 3.3Å; L183-Q185 PolarHBondContact O-N 2.89Å; Q185-P189 WeakPolarHBondContact O-CD 3.46Å |
| 186 | K | 90 | Very high | 88.4 | Confident | 118 Ų | 118 | 51.4 Ų | 51.4 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.5 | -35.5 | 176.9 | -68.6 | 179.8 | -178.4 | 179.8 | 0 | 112.4 | V182 L183 I220 | V182-K186 WeakPolarHBondContact O-CG 3.42Å; V182-K186 PolarHBondContact O-N 3.38Å; V182-K186 VanDerWaalsContact O-N 3.14Å; L183-K186 PolarHBondContact O-N 3.03Å; K186-I220 HydrophobicContact CB-CD1 3.56Å |
| 187 | L | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.9 | -38.3 | -179.8 | -76.8 | 169.5 | 0 | 0 | 0 | 112.8 | L183 S184 I190 V191 A209 I210 L213 A216 I220 | L183-L187 WeakPolarHBondContact O-CB 3.36Å; L183-L187 VanDerWaalsContact O-CG 3.29Å; L183-L187 WeakPolarHBondContact O-CG 3.42Å; L183-L187 PolarHBondContact O-N 3.22Å; S184-L187 PolarHBondContact O-N 3.08Å; L187-I190 WeakPolarHBondContact O-CA 3.02Å; L187-I190 WeakPolarHBondContact O-CB 3.11Å; L187-I190 PolarHBondContact O-N 2.87Å; L187-V191 HydrophobicContact CB-CG2 4.4Å; L187-V191 WeakPolarHBondContact O-CG2 3.22Å; L187-V191 PolarHBondContact O-N 2.8Å; L187-V191 VanDerWaalsContact O-N 3.09Å; L187-A209 HydrophobicContact CB-CB 4.11Å; L187-I210 HydrophobicContact CD1-CD1 3.95Å; L187-L213 HydrophobicContact CD1-CB 3.85Å; L187-L213 HydrophobicContact CD1-CD1 3.84Å; L187-L213 HydrophobicContact CD1-CG 4.44Å; L187-L213 HydrophobicContact CD2-CD1 4.29Å; L187-L213 HydrophobicContact CG-CD1 4.39Å; L187-A216 HydrophobicContact CD2-CB 3.73Å; L187-I220 HydrophobicContact CD2-CD1 3.86Å; L187-I220 HydrophobicContact CD2-CG1 3.67Å; L187-I220 HydrophobicContact CG-CD1 3.99Å; L187-I220 HydrophobicContact CG-CG1 4.14Å |
| 188 | F | 87.4 | Confident | 86.5 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 40% | 0.395 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -49.1 | -49.3 | -169 | -179.3 | -95.9 | 0 | 0 | 0 | 113.9 | S184 I190 V191 E192 A209 | S184-F188 WeakPolarHBondContact O-CB 3.37Å; S184-F188 PolarHBondContact O-N 3.31Å; F188-I190 PolarHBondContact O-N 2.96Å; F188-I190 VanDerWaalsContact O-N 3.14Å; F188-V191 PolarHBondContact O-N 3.28Å; F188-E192 HydrophobicContact CE1-CB 4.41Å; F188-E192 HydrophobicContact CE1-CG 4.34Å; F188-E192 HydrophobicContact CE2-CB 4.34Å; F188-E192 HydrophobicContact CE2-CG 4.26Å; F188-E192 HydrophobicContact CZ-CB 4.19Å; F188-E192 HydrophobicContact CZ-CG 3.86Å; F188-E192 WeakPolarHBondContact CZ-OE1 3.25Å; F188-E192 VanDerWaalsContact O-CB 3.3Å; F188-E192 WeakPolarHBondContact O-CB 3.5Å; F188-E192 PolarHBondContact O-N 2.79Å; F188-A209 HydrophobicContact CB-CB 4.41Å |
| 189 | P | 87.1 | Confident | 85.2 | Confident | 100 Ų | 100 | 49.3 Ų | 49.3 | 65% | 0.649 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.3 | -24.4 | 179.8 | -22.1 | 34.2 | 0 | 0 | 0 | 114.5 | Q185 | Q185-P189 WeakPolarHBondContact O-CD 3.46Å |
| 190 | I | 85.3 | Confident | 83.2 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -84.7 | -38.3 | -178.9 | -53.8 | 171.1 | 0 | 0 | 0 | 110.1 | L187 F188 A216 H219 | L187-I190 WeakPolarHBondContact O-CA 3.02Å; L187-I190 WeakPolarHBondContact O-CB 3.11Å; L187-I190 PolarHBondContact O-N 2.87Å; F188-I190 PolarHBondContact O-N 2.96Å; F188-I190 VanDerWaalsContact O-N 3.14Å; I190-A216 HydrophobicContact CB-CB 4.41Å; I190-A216 HydrophobicContact CD1-CB 4.04Å; I190-A216 HydrophobicContact CG2-CB 3.84Å; I190-H219 HydrophobicContact CD1-CB 3.88Å |
| 191 | V | 84.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -108 | -7.8 | -166.7 | -50.7 | 0 | 0 | 0 | 0 | 114.4 | L187 F188 A193 M194 Q195 A209 F212 | L187-V191 HydrophobicContact CB-CG2 4.4Å; L187-V191 WeakPolarHBondContact O-CG2 3.22Å; L187-V191 PolarHBondContact O-N 2.8Å; L187-V191 VanDerWaalsContact O-N 3.09Å; F188-V191 PolarHBondContact O-N 3.28Å; V191-A193 VanDerWaalsContact C-N 3.26Å; V191-A193 PolarHBondContact O-N 3.03Å; V191-M194 HydrophobicContact CB-CE 4.39Å; V191-M194 HydrophobicContact CB-CG 3.81Å; V191-M194 HydrophobicContact CB-SD 3.87Å; V191-M194 HydrophobicContact CG1-CE 4.24Å; V191-M194 HydrophobicContact CG1-SD 3.96Å; V191-M194 WeakPolarHBondContact O-CG 3.41Å; V191-M194 PolarHBondContact O-N 3.21Å; V191-Q195 WeakPolarHBondContact O-CG 3.21Å; V191-Q195 PolarHBondContact O-N 2.81Å; V191-Q195 VanDerWaalsContact O-N 3.07Å; V191-A209 HydrophobicContact CG2-CB 3.81Å; V191-F212 HydrophobicContact CB-CB 3.87Å; V191-F212 HydrophobicContact CB-CG 4.15Å; V191-F212 HydrophobicContact CG1-CB 3.64Å; V191-F212 HydrophobicContact CG1-CG 4.41Å; V191-F212 HydrophobicContact CG2-CB 4.14Å; V191-F212 HydrophobicContact CG2-CD2 4.41Å; V191-F212 HydrophobicContact CG2-CG 4.43Å |
| 192 | E | 84.9 | Confident | 79.1 | Confident | 109 Ų | 109 | 54 Ų | 54 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -51.2 | -46 | 179.9 | 179.5 | -176.9 | -142.1 | 0 | 0 | 112 | F188 M194 Q195 | F188-E192 HydrophobicContact CE1-CB 4.41Å; F188-E192 HydrophobicContact CE1-CG 4.34Å; F188-E192 HydrophobicContact CE2-CB 4.34Å; F188-E192 HydrophobicContact CE2-CG 4.26Å; F188-E192 HydrophobicContact CZ-CB 4.19Å; F188-E192 HydrophobicContact CZ-CG 3.86Å; F188-E192 WeakPolarHBondContact CZ-OE1 3.25Å; F188-E192 VanDerWaalsContact O-CB 3.3Å; F188-E192 WeakPolarHBondContact O-CB 3.5Å; F188-E192 PolarHBondContact O-N 2.79Å; E192-M194 VanDerWaalsContact C-N 3.26Å; E192-M194 PolarHBondContact O-N 2.78Å; E192-Q195 PolarHBondContact O-N 3.3Å |
| 193 | A | 79.3 | Confident | 76.9 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.9 | -27.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V191 K196 P318 | V191-A193 VanDerWaalsContact C-N 3.26Å; V191-A193 PolarHBondContact O-N 3.03Å; A193-K196 VanDerWaalsContact O-CE 3.29Å; A193-K196 WeakPolarHBondContact O-CE 3.33Å; A193-K196 WeakPolarHBondContact O-CG 3.2Å; A193-P318 HydrophobicContact CB-CB 3.45Å; A193-P318 VanDerWaalsContact CB-CB 3.45Å; A193-P318 HydrophobicContact CB-CG 3.58Å |
| 194 | M | 81.1 | Confident | 74.8 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -88.4 | -27.8 | -179.4 | 60.2 | 178.6 | 77.2 | 0 | 0 | 112.6 | V191 E192 K196 H197 F198 F212 V215 L316 V321 F339 | V191-M194 HydrophobicContact CB-CE 4.39Å; V191-M194 HydrophobicContact CB-CG 3.81Å; V191-M194 HydrophobicContact CB-SD 3.87Å; V191-M194 HydrophobicContact CG1-CE 4.24Å; V191-M194 HydrophobicContact CG1-SD 3.96Å; V191-M194 WeakPolarHBondContact O-CG 3.41Å; V191-M194 PolarHBondContact O-N 3.21Å; E192-M194 VanDerWaalsContact C-N 3.26Å; E192-M194 PolarHBondContact O-N 2.78Å; M194-K196 PolarHBondContact O-N 3.17Å; M194-K196 VanDerWaalsContact O-N 3.16Å; M194-H197 PolarHBondContact O-N 3.21Å; M194-F198 HydrophobicContact CB-CD2 3.8Å; M194-F198 HydrophobicContact CB-CE2 3.76Å; M194-F198 WeakPolarHBondContact O-CD2 3.24Å; M194-F198 PolarHBondContact O-N 3.08Å; M194-F212 HydrophobicContact CG-CD1 3.97Å; M194-F212 HydrophobicContact CG-CE1 4.03Å; M194-F212 HydrophobicContact SD-CB 4.46Å; M194-F212 HydrophobicContact SD-CD1 3.52Å; M194-F212 VanDerWaalsContact SD-CD1 3.52Å; M194-F212 HydrophobicContact SD-CE1 4.06Å; M194-F212 HydrophobicContact SD-CG 4.21Å; M194-V215 HydrophobicContact CE-CG1 3.98Å; M194-V215 HydrophobicContact SD-CG1 4.01Å; M194-L316 HydrophobicContact CE-CD2 4.3Å; M194-V321 HydrophobicContact CB-CG1 3.88Å; M194-F339 HydrophobicContact SD-CD2 4.47Å |
| 195 | Q | 79.3 | Confident | 72.9 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 15% | 0.15 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -53.6 | -39.1 | 178.1 | -75.7 | -179.2 | -5 | 0 | 0 | 113.2 | V191 E192 H197 F198 S199 F212 | V191-Q195 WeakPolarHBondContact O-CG 3.21Å; V191-Q195 PolarHBondContact O-N 2.81Å; V191-Q195 VanDerWaalsContact O-N 3.07Å; E192-Q195 PolarHBondContact O-N 3.3Å; Q195-H197 PolarHBondContact O-N 2.79Å; Q195-H197 VanDerWaalsContact O-N 3.08Å; Q195-F198 PolarHBondContact O-N 2.88Å; Q195-S199 VanDerWaalsContact O-CB 3.24Å; Q195-S199 WeakPolarHBondContact O-CB 3.47Å; Q195-S199 PolarHBondContact O-N 3.05Å; Q195-S199 PolarHBondContact O-OG 3.16Å; Q195-F212 HydrophobicContact CG-CD2 4.2Å; Q195-F212 HydrophobicContact CG-CE2 3.71Å; Q195-F212 HydrophobicContact CG-CZ 4.26Å |
| 196 | K | 79.6 | Confident | 71.1 | Confident | 130 Ų | 130 | 57.2 Ų | 57.2 | 57% | 0.565 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.3 | -18.1 | 178.7 | 76.4 | -167.2 | -177.6 | -173.5 | 0 | 114.2 | A193 M194 R331 | A193-K196 VanDerWaalsContact O-CE 3.29Å; A193-K196 WeakPolarHBondContact O-CE 3.33Å; A193-K196 WeakPolarHBondContact O-CG 3.2Å; M194-K196 PolarHBondContact O-N 3.17Å; M194-K196 VanDerWaalsContact O-N 3.16Å; K196-R331 PolarHBondContact O-NH1 3.43Å |
| 197 | H | 77.8 | Confident | 69.4 | Low | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -100.7 | -30.2 | 179.9 | -64.4 | -80.1 | 0 | 0 | 0 | 112.8 | M194 Q195 A325 R331 G332 | M194-H197 PolarHBondContact O-N 3.21Å; Q195-H197 PolarHBondContact O-N 2.79Å; Q195-H197 VanDerWaalsContact O-N 3.08Å; H197-A325 HydrophobicContact CB-CB 4.22Å; H197-A325 VanDerWaalsContact ND1-CB 3.29Å; H197-A325 WeakPolarHBondContact ND1-CB 3.35Å; H197-R331 PolarHBondContact ND1-NH1 2.87Å; H197-G332 PolarHBondContact O-N 3.07Å |
| 198 | F | 77 | Confident | 68.3 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -121 | 1.2 | -167.7 | -47.9 | -57.6 | 0 | 0 | 0 | 115 | M194 Q195 F212 V321 F330 G332 H333 L334 G335 D338 F339 M342 | M194-F198 HydrophobicContact CB-CD2 3.8Å; M194-F198 HydrophobicContact CB-CE2 3.76Å; M194-F198 WeakPolarHBondContact O-CD2 3.24Å; M194-F198 PolarHBondContact O-N 3.08Å; Q195-F198 PolarHBondContact O-N 2.88Å; F198-F212 HydrophobicContact CB-CE1 3.87Å; F198-F212 HydrophobicContact CB-CZ 3.84Å; F198-F212 AromaticContact CD2-CE1 3.97Å; F198-F212 HydrophobicContact CD2-CE1 3.97Å; F198-F212 HydrophobicContact CG-CE1 4.36Å; F198-V321 HydrophobicContact CE2-CG1 3.77Å; F198-V321 HydrophobicContact CZ-CG1 4.12Å; F198-F330 AromaticContact CD1-CD1 3.84Å; F198-F330 HydrophobicContact CD1-CD1 3.84Å; F198-F330 AromaticContact CD1-CE1 3.64Å; F198-F330 HydrophobicContact CD1-CE1 3.64Å; F198-F330 AromaticContact CE1-CD1 3.59Å; F198-F330 HydrophobicContact CE1-CD1 3.59Å; F198-F330 AromaticContact CE1-CE1 3.76Å; F198-F330 HydrophobicContact CE1-CE1 3.76Å; F198-G332 CarbonylContact C-O 3.45Å; F198-G332 CarbonylContact O-C 3.33Å; F198-H333 CarbonylContact O-C 3.5Å; F198-H333 WeakPolarHBondContact O-CA 3.49Å; F198-H333 PolarHBondContact O-N 3.22Å; F198-L334 PolarHBondContact O-N 2.87Å; F198-G335 PolarHBondContact O-N 2.87Å; F198-D338 HydrophobicContact CB-CB 4.16Å; F198-D338 HydrophobicContact CD1-CB 3.8Å; F198-D338 HydrophobicContact CG-CB 4.24Å; F198-F339 HydrophobicContact CD2-CB 4.24Å; F198-F339 HydrophobicContact CE2-CB 4.17Å; F198-F339 AromaticContact CE2-CD2 3.91Å; F198-F339 HydrophobicContact CE2-CD2 3.91Å; F198-F339 HydrophobicContact CZ-CD2 4.35Å; F198-M342 HydrophobicContact CE1-CE 4.21Å; F198-M342 HydrophobicContact CE1-SD 3.86Å; F198-M342 HydrophobicContact CZ-CE 3.52Å; F198-M342 HydrophobicContact CZ-SD 3.76Å |
| 199 | S | 69.9 | Low | 67.8 | Low | 16 Ų | 16 | 52.9 Ų | 52.9 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -109.2 | 146.6 | 174.5 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | Q195 G201 Y206 | Q195-S199 VanDerWaalsContact O-CB 3.24Å; Q195-S199 WeakPolarHBondContact O-CB 3.47Å; Q195-S199 PolarHBondContact O-N 3.05Å; Q195-S199 PolarHBondContact O-OG 3.16Å; S199-G201 PolarHBondContact O-N 2.63Å; S199-Y206 WeakPolarHBondContact CB-O 3.43Å; S199-Y206 PolarHBondContact OG-O 3.35Å |
| 200 | A | 53.9 | Low | 67.6 | Low | 51 Ų | 51 | 48.5 Ų | 48.5 | 42% | 0.421 | 29% | 0.292 | S | S | . | . | trans | -74.5 | 56.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A204 H333 | A200-A204 HydrophobicContact CB-CB 3.54Å; A200-A204 WeakPolarHBondContact O-CB 3.31Å; A200-H333 HydrophobicContact CB-CB 3.72Å | ||
| 201 | G | 51.9 | Low | 67.6 | Low | 48 Ų | 48 | 48.2 Ų | 48.2 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 66.3 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S199 G203 | S199-G201 PolarHBondContact O-N 2.63Å; G201-G203 PolarHBondContact O-N 2.89Å |
| 202 | S | 43.1 | Very low | 67.8 | Low | 129 Ų | 129 | 48.2 Ų | 48.2 | 90% | 0.902 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 122 | 178.9 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 203 | G | 43.9 | Very low | 68.2 | Low | 75 Ų | 75 | 43 Ų | 43 | 77% | 0.773 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.6 | 4.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | G201 | G201-G203 PolarHBondContact O-N 2.89Š|
| 204 | A | 48.6 | Very low | 69 | Low | 30 Ų | 30 | 42 Ų | 42 | 25% | 0.248 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -84 | 156.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A200 Y206 S207 | A200-A204 HydrophobicContact CB-CB 3.54Å; A200-A204 WeakPolarHBondContact O-CB 3.31Å; A204-Y206 PolarHBondContact O-N 3.26Å; A204-Y206 VanDerWaalsContact O-N 3.07Å; A204-S207 WeakPolarHBondContact O-CB 3.43Å; A204-S207 PolarHBondContact O-N 2.79Å; A204-S207 PolarHBondContact O-OG 3.12Å |
| 205 | Y | 48 | Very low | 69.8 | Low | 121 Ų | 121 | 42 Ų | 42 | 48% | 0.475 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -47 | -43.5 | -179.1 | -177.9 | -103.4 | 0 | 0 | 0 | 113 | S207 F211 | Y205-S207 PolarHBondContact O-N 2.91Å; Y205-F211 HydrophobicContact CD1-CE1 4.06Å; Y205-F211 AromaticContact CD1-CZ 3.74Å; Y205-F211 HydrophobicContact CD1-CZ 3.74Å; Y205-F211 AromaticContact CE1-CE1 3.54Å; Y205-F211 HydrophobicContact CE1-CE1 3.54Å; Y205-F211 AromaticContact CE1-CZ 3.45Å; Y205-F211 HydrophobicContact CE1-CZ 3.45Å; Y205-F211 VanDerWaalsContact CE1-CZ 3.45Å; Y205-F211 HydrophobicContact CE2-CZ 4.32Å; Y205-F211 HydrophobicContact CG-CZ 4.3Å; Y205-F211 AromaticContact CZ-CZ 3.76Å; Y205-F211 WeakPolarHBondContact O-CE2 3.4Å; Y205-F211 WeakPolarHBondContact O-CZ 3.4Å |
| 206 | Y | 50.2 | Low | 70.6 | Confident | 80 Ų | 80 | 40.5 Ų | 40.5 | 31% | 0.314 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -86.8 | 14 | 179.6 | -62.5 | -77.8 | 0 | 0 | 0 | 115.5 | S199 A204 D208 F211 H333 L334 | S199-Y206 WeakPolarHBondContact CB-O 3.43Å; S199-Y206 PolarHBondContact OG-O 3.35Å; A204-Y206 PolarHBondContact O-N 3.26Å; A204-Y206 VanDerWaalsContact O-N 3.07Å; Y206-D208 VanDerWaalsContact C-N 3.29Å; Y206-F211 HydrophobicContact CD1-CB 4.17Å; Y206-F211 AromaticContact CD1-CD1 3.38Å; Y206-F211 HydrophobicContact CD1-CD1 3.38Å; Y206-F211 HydrophobicContact CD1-CD2 4.22Å; Y206-F211 AromaticContact CD1-CE1 3.72Å; Y206-F211 HydrophobicContact CD1-CE1 3.72Å; Y206-F211 AromaticContact CD1-CG 3.64Å; Y206-F211 HydrophobicContact CD1-CG 3.64Å; Y206-F211 HydrophobicContact CD1-CZ 4.28Å; Y206-F211 AromaticContact CE1-CD1 3.7Å; Y206-F211 HydrophobicContact CE1-CD1 3.7Å; Y206-F211 AromaticContact CE1-CE1 3.81Å; Y206-F211 HydrophobicContact CE1-CE1 3.81Å; Y206-F211 HydrophobicContact CE1-CG 4.41Å; Y206-H333 VanDerWaalsContact CB-O 3.32Å; Y206-H333 WeakPolarHBondContact CB-O 3.5Å; Y206-H333 WeakPolarHBondContact CD2-O 3.46Å; Y206-L334 HydrophobicContact CE2-CD2 4.34Å |
| 207 | S | 55.2 | Low | 71.5 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -82.4 | -7.2 | 176.1 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | A204 Y205 | A204-S207 WeakPolarHBondContact O-CB 3.43Å; A204-S207 PolarHBondContact O-N 2.79Å; A204-S207 PolarHBondContact O-OG 3.12Å; Y205-S207 PolarHBondContact O-N 2.91Å |
| 208 | D | 66.6 | Low | 72.4 | Confident | 75 Ų | 75 | 34.2 Ų | 34.2 | 40% | 0.401 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -78.6 | 142.5 | 178.2 | -157 | -28.7 | 0 | 0 | 0 | 110.9 | S184 Y206 I210 F211 | S184-D208 PolarHBondContact OG-OD1 3.15Å; S184-D208 VanDerWaalsContact OG-OD1 3.07Å; Y206-D208 VanDerWaalsContact C-N 3.29Å; D208-I210 HydrophobicContact CB-CG2 4.12Å; D208-I210 PolarHBondContact O-N 2.88Å; D208-I210 VanDerWaalsContact O-N 3.11Å; D208-F211 HydrophobicContact CB-CD2 3.93Å; D208-F211 HydrophobicContact CB-CE2 3.88Å; D208-F211 WeakPolarHBondContact O-CD2 3.39Å; D208-F211 PolarHBondContact O-N 3.18Å |
| 209 | A | 77 | Confident | 73.3 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -58.7 | -25.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L187 F188 V191 F211 F212 | L187-A209 HydrophobicContact CB-CB 4.11Å; F188-A209 HydrophobicContact CB-CB 4.41Å; V191-A209 HydrophobicContact CG2-CB 3.81Å; A209-F211 PolarHBondContact O-N 2.93Å; A209-F212 PolarHBondContact O-N 3.45Å |
| 210 | I | 82.7 | Confident | 74.5 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -63.4 | -25.9 | -177.7 | -156.8 | 70 | 0 | 0 | 0 | 114.3 | M111 V149 V180 L183 L187 D208 F212 L213 | M111-I210 HydrophobicContact CE-CB 4.42Å; M111-I210 HydrophobicContact CE-CD1 4.24Å; M111-I210 HydrophobicContact CE-CG1 3.29Å; M111-I210 HydrophobicContact CE-CG2 4.36Å; M111-I210 HydrophobicContact SD-CG1 4.41Å; V149-I210 HydrophobicContact CG1-CD1 3.94Å; V149-I210 HydrophobicContact CG1-CG1 4.23Å; V180-I210 HydrophobicContact CG2-CB 4.22Å; V180-I210 HydrophobicContact CG2-CD1 4.09Å; V180-I210 HydrophobicContact CG2-CG1 3.85Å; V180-I210 HydrophobicContact CG2-CG2 4.41Å; L183-I210 HydrophobicContact CB-CD1 3.78Å; L183-I210 HydrophobicContact CD1-CD1 4.42Å; L187-I210 HydrophobicContact CD1-CD1 3.95Å; D208-I210 HydrophobicContact CB-CG2 4.12Å; D208-I210 PolarHBondContact O-N 2.88Å; D208-I210 VanDerWaalsContact O-N 3.11Å; I210-F212 PolarHBondContact O-N 2.75Å; I210-F212 VanDerWaalsContact O-N 3.07Å; I210-L213 HydrophobicContact CD1-CB 4.38Å; I210-L213 HydrophobicContact CD1-CD2 4.39Å; I210-L213 VanDerWaalsContact O-CB 3.27Å; I210-L213 WeakPolarHBondContact O-CB 3.42Å; I210-L213 PolarHBondContact O-N 3.43Å |
| 211 | F | 83.9 | Confident | 76.5 | Confident | 39 Ų | 39 | 37.4 Ų | 37.4 | 17% | 0.171 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -71.2 | -0.6 | 175.5 | -64 | -76.6 | 0 | 0 | 0 | 113.7 | Y205 Y206 D208 A209 D336 | Y205-F211 HydrophobicContact CD1-CE1 4.06Å; Y205-F211 AromaticContact CD1-CZ 3.74Å; Y205-F211 HydrophobicContact CD1-CZ 3.74Å; Y205-F211 AromaticContact CE1-CE1 3.54Å; Y205-F211 HydrophobicContact CE1-CE1 3.54Å; Y205-F211 AromaticContact CE1-CZ 3.45Å; Y205-F211 HydrophobicContact CE1-CZ 3.45Å; Y205-F211 VanDerWaalsContact CE1-CZ 3.45Å; Y205-F211 HydrophobicContact CE2-CZ 4.32Å; Y205-F211 HydrophobicContact CG-CZ 4.3Å; Y205-F211 AromaticContact CZ-CZ 3.76Å; Y205-F211 WeakPolarHBondContact O-CE2 3.4Å; Y205-F211 WeakPolarHBondContact O-CZ 3.4Å; Y206-F211 HydrophobicContact CD1-CB 4.17Å; Y206-F211 AromaticContact CD1-CD1 3.38Å; Y206-F211 HydrophobicContact CD1-CD1 3.38Å; Y206-F211 HydrophobicContact CD1-CD2 4.22Å; Y206-F211 AromaticContact CD1-CE1 3.72Å; Y206-F211 HydrophobicContact CD1-CE1 3.72Å; Y206-F211 AromaticContact CD1-CG 3.64Å; Y206-F211 HydrophobicContact CD1-CG 3.64Å; Y206-F211 HydrophobicContact CD1-CZ 4.28Å; Y206-F211 AromaticContact CE1-CD1 3.7Å; Y206-F211 HydrophobicContact CE1-CD1 3.7Å; Y206-F211 AromaticContact CE1-CE1 3.81Å; Y206-F211 HydrophobicContact CE1-CE1 3.81Å; Y206-F211 HydrophobicContact CE1-CG 4.41Å; D208-F211 HydrophobicContact CB-CD2 3.93Å; D208-F211 HydrophobicContact CB-CE2 3.88Å; D208-F211 WeakPolarHBondContact O-CD2 3.39Å; D208-F211 PolarHBondContact O-N 3.18Å; A209-F211 PolarHBondContact O-N 2.93Å; F211-D336 WeakPolarHBondContact O-CB 3.12Å; F211-D336 PolarHBondContact O-N 3.47Å |
| 212 | F | 89 | Confident | 78.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -114.1 | 13.1 | 172.8 | -60.6 | -92.2 | 0 | 0 | 0 | 112.1 | V191 M194 Q195 F198 A209 I210 S214 V215 | V191-F212 HydrophobicContact CB-CB 3.87Å; V191-F212 HydrophobicContact CB-CG 4.15Å; V191-F212 HydrophobicContact CG1-CB 3.64Å; V191-F212 HydrophobicContact CG1-CG 4.41Å; V191-F212 HydrophobicContact CG2-CB 4.14Å; V191-F212 HydrophobicContact CG2-CD2 4.41Å; V191-F212 HydrophobicContact CG2-CG 4.43Å; M194-F212 HydrophobicContact CG-CD1 3.97Å; M194-F212 HydrophobicContact CG-CE1 4.03Å; M194-F212 HydrophobicContact SD-CB 4.46Å; M194-F212 HydrophobicContact SD-CD1 3.52Å; M194-F212 VanDerWaalsContact SD-CD1 3.52Å; M194-F212 HydrophobicContact SD-CE1 4.06Å; M194-F212 HydrophobicContact SD-CG 4.21Å; Q195-F212 HydrophobicContact CG-CD2 4.2Å; Q195-F212 HydrophobicContact CG-CE2 3.71Å; Q195-F212 HydrophobicContact CG-CZ 4.26Å; F198-F212 HydrophobicContact CB-CE1 3.87Å; F198-F212 HydrophobicContact CB-CZ 3.84Å; F198-F212 AromaticContact CD2-CE1 3.97Å; F198-F212 HydrophobicContact CD2-CE1 3.97Å; F198-F212 HydrophobicContact CG-CE1 4.36Å; A209-F212 PolarHBondContact O-N 3.45Å; I210-F212 PolarHBondContact O-N 2.75Å; I210-F212 VanDerWaalsContact O-N 3.07Å; F212-S214 VanDerWaalsContact C-N 3.29Å; F212-S214 PolarHBondContact O-N 3.36Å; F212-V215 HydrophobicContact CB-CG2 4.41Å; F212-V215 HydrophobicContact CD1-CG2 4.35Å; F212-V215 WeakPolarHBondContact O-CB 3.23Å; F212-V215 PolarHBondContact O-N 2.96Å |
| 213 | L | 94.3 | Very high | 81 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -44.1 | -178.3 | 174.8 | 63.6 | 0 | 0 | 0 | 112.2 | L109 M111 V149 L183 L187 I210 V215 A216 M217 I220 | L109-L213 HydrophobicContact CD1-CD2 4.35Å; L109-L213 HydrophobicContact CD2-CD2 4.08Å; M111-L213 HydrophobicContact SD-CD2 3.96Å; V149-L213 HydrophobicContact CG2-CD2 3.75Å; L183-L213 HydrophobicContact CD1-CD1 4.37Å; L183-L213 HydrophobicContact CD1-CD2 4.31Å; L187-L213 HydrophobicContact CD1-CB 3.85Å; L187-L213 HydrophobicContact CD1-CD1 3.84Å; L187-L213 HydrophobicContact CD1-CG 4.44Å; L187-L213 HydrophobicContact CD2-CD1 4.29Å; L187-L213 HydrophobicContact CG-CD1 4.39Å; I210-L213 HydrophobicContact CD1-CB 4.38Å; I210-L213 HydrophobicContact CD1-CD2 4.39Å; I210-L213 VanDerWaalsContact O-CB 3.27Å; I210-L213 WeakPolarHBondContact O-CB 3.42Å; I210-L213 PolarHBondContact O-N 3.43Å; L213-V215 VanDerWaalsContact C-N 3.26Å; L213-V215 PolarHBondContact O-N 2.59Å; L213-A216 CarbonylContact O-C 3.46Å; L213-A216 PolarHBondContact O-N 3.03Å; L213-M217 HydrophobicContact CD1-CE 4.31Å; L213-M217 HydrophobicContact CD1-SD 3.9Å; L213-M217 HydrophobicContact CD2-CE 3.87Å; L213-M217 HydrophobicContact CD2-SD 4.3Å; L213-M217 HydrophobicContact CG-CE 3.6Å; L213-M217 HydrophobicContact CG-SD 3.88Å; L213-M217 VanDerWaalsContact O-CA 3.26Å; L213-M217 WeakPolarHBondContact O-CA 3.26Å; L213-M217 WeakPolarHBondContact O-CB 3.5Å; L213-M217 PolarHBondContact O-N 3.13Å; L213-I220 HydrophobicContact CD1-CB 4.37Å; L213-I220 HydrophobicContact CD1-CG1 4.22Å; L213-I220 HydrophobicContact CD1-CG2 4.1Å |
| 214 | S | 97.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -34.6 | 178.5 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | F212 A216 Q230 M299 D336 F340 | F212-S214 VanDerWaalsContact C-N 3.29Å; F212-S214 PolarHBondContact O-N 3.36Å; S214-A216 VanDerWaalsContact C-N 3.32Å; S214-A216 PolarHBondContact O-N 2.69Å; S214-Q230 VanDerWaalsContact CB-OE1 3.22Å; S214-M299 VanDerWaalsContact CB-CE 3.43Å; S214-D336 WeakPolarHBondContact CB-OD2 3.48Å; S214-D336 WeakPolarHBondContact OG-CB 3.29Å; S214-D336 PolarHBondContact OG-OD2 2.89Å; S214-F340 WeakPolarHBondContact OG-CE2 3.25Å |
| 215 | V | 96.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -37.9 | -178.4 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | M194 F212 L213 Y312 L316 D336 F339 F340 | M194-V215 HydrophobicContact CE-CG1 3.98Å; M194-V215 HydrophobicContact SD-CG1 4.01Å; F212-V215 HydrophobicContact CB-CG2 4.41Å; F212-V215 HydrophobicContact CD1-CG2 4.35Å; F212-V215 WeakPolarHBondContact O-CB 3.23Å; F212-V215 PolarHBondContact O-N 2.96Å; L213-V215 VanDerWaalsContact C-N 3.26Å; L213-V215 PolarHBondContact O-N 2.59Å; V215-Y312 PolarHBondContact O-OH 3.45Å; V215-L316 HydrophobicContact CG1-CD2 3.38Å; V215-D336 HydrophobicContact CG2-CB 3.77Å; V215-F339 HydrophobicContact CB-CD1 4.28Å; V215-F339 HydrophobicContact CG1-CD1 3.64Å; V215-F339 HydrophobicContact CG1-CE1 3.52Å; V215-F339 HydrophobicContact CG1-CG 4.33Å; V215-F339 HydrophobicContact CG1-CZ 4.12Å; V215-F339 HydrophobicContact CG2-CB 4.32Å; V215-F339 HydrophobicContact CG2-CD1 3.65Å; V215-F339 HydrophobicContact CG2-CE1 4.35Å; V215-F339 HydrophobicContact CG2-CG 4.21Å; V215-F340 HydrophobicContact CB-CE1 4.48Å; V215-F340 HydrophobicContact CB-CZ 4.33Å; V215-F340 HydrophobicContact CG2-CE1 4Å; V215-F340 HydrophobicContact CG2-CE2 4.28Å; V215-F340 HydrophobicContact CG2-CZ 3.76Å |
| 216 | A | 96.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 16.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L187 I190 L213 S214 H218 H219 I220 | L187-A216 HydrophobicContact CD2-CB 3.73Å; I190-A216 HydrophobicContact CB-CB 4.41Å; I190-A216 HydrophobicContact CD1-CB 4.04Å; I190-A216 HydrophobicContact CG2-CB 3.84Å; L213-A216 CarbonylContact O-C 3.46Å; L213-A216 PolarHBondContact O-N 3.03Å; S214-A216 VanDerWaalsContact C-N 3.32Å; S214-A216 PolarHBondContact O-N 2.69Å; A216-H218 PolarHBondContact O-N 2.83Å; A216-H219 WeakPolarHBondContact O-CB 3.4Å; A216-H219 PolarHBondContact O-N 2.78Å; A216-I220 WeakPolarHBondContact O-CG1 3.25Å; A216-I220 PolarHBondContact O-N 3.1Å |
| 217 | M | 97.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -52.4 | -34.9 | -173.9 | -171.1 | 71.2 | 79.3 | 0 | 0 | 112.3 | L109 L213 H219 I220 M221 I228 L301 L303 | L109-M217 HydrophobicContact CD1-CE 3.95Å; L109-M217 HydrophobicContact CD1-SD 4.16Å; L109-M217 HydrophobicContact CD2-CE 4.14Å; L213-M217 HydrophobicContact CD1-CE 4.31Å; L213-M217 HydrophobicContact CD1-SD 3.9Å; L213-M217 HydrophobicContact CD2-CE 3.87Å; L213-M217 HydrophobicContact CD2-SD 4.3Å; L213-M217 HydrophobicContact CG-CE 3.6Å; L213-M217 HydrophobicContact CG-SD 3.88Å; L213-M217 VanDerWaalsContact O-CA 3.26Å; L213-M217 WeakPolarHBondContact O-CA 3.26Å; L213-M217 WeakPolarHBondContact O-CB 3.5Å; L213-M217 PolarHBondContact O-N 3.13Å; M217-H219 VanDerWaalsContact C-N 3.29Å; M217-H219 PolarHBondContact O-N 3.41Å; M217-I220 PolarHBondContact O-N 2.99Å; M217-I220 VanDerWaalsContact O-N 3.12Å; M217-M221 HydrophobicContact CG-CG 3.87Å; M217-M221 WeakPolarHBondContact O-CB 3.49Å; M217-M221 PolarHBondContact O-N 3.37Å; M217-M221 HydrophobicContact SD-CE 3.43Å; M217-M221 WeakPolarHBondContact SD-CE 3.21Å; M217-M221 HydrophobicContact SD-CG 3.73Å; M217-M221 HydrophobicContact SD-SD 4.46Å; M217-I228 HydrophobicContact CG-CG2 4.03Å; M217-L301 HydrophobicContact CB-CD1 3.87Å; M217-L301 HydrophobicContact CE-CD1 3.91Å; M217-L301 HydrophobicContact CG-CD1 3.93Å; M217-L303 HydrophobicContact CB-CD2 3.84Å; M217-L303 HydrophobicContact CG-CD1 4.35Å; M217-L303 HydrophobicContact CG-CD2 3.69Å |
| 218 | H | 97.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.6 | -18.1 | -178.4 | 68.9 | -69.1 | 0 | 0 | 0 | 114.6 | A216 L303 M306 R307 Y312 N313 | A216-H218 PolarHBondContact O-N 2.83Å; H218-L303 HydrophobicContact CB-CB 4.11Å; H218-L303 HydrophobicContact CB-CD2 4.1Å; H218-M306 HydrophobicContact CB-CB 3.76Å; H218-M306 HydrophobicContact CB-CE 4.46Å; H218-M306 HydrophobicContact CB-SD 4.37Å; H218-R307 HydrophobicContact CB-CG 3.97Å; H218-R307 PolarHBondContact O-NE 2.95Å; H218-Y312 AromaticContact CE1-CE1 3.73Å; H218-N313 PolarHBondContact NE2-OD1 2.86Å; H218-N313 VanDerWaalsContact NE2-OD1 3.12Å |
| 219 | H | 95.9 | Very high | 94 | Very high | 101 Ų | 101 | 31.8 Ų | 31.8 | 47% | 0.468 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -89.4 | -20 | 169.4 | -68.8 | -58 | 0 | 0 | 0 | 113.1 | I190 A216 M217 | I190-H219 HydrophobicContact CD1-CB 3.88Å; A216-H219 WeakPolarHBondContact O-CB 3.4Å; A216-H219 PolarHBondContact O-N 2.78Å; M217-H219 VanDerWaalsContact C-N 3.29Å; M217-H219 PolarHBondContact O-N 3.41Å |
| 220 | I | 94.8 | Very high | 95.1 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -94 | -44.3 | -174.1 | -60.1 | -56.2 | 0 | 0 | 0 | 111.3 | L183 K186 L187 L213 A216 M217 | L183-I220 HydrophobicContact CD2-CG2 3.54Å; K186-I220 HydrophobicContact CB-CD1 3.56Å; L187-I220 HydrophobicContact CD2-CD1 3.86Å; L187-I220 HydrophobicContact CD2-CG1 3.67Å; L187-I220 HydrophobicContact CG-CD1 3.99Å; L187-I220 HydrophobicContact CG-CG1 4.14Å; L213-I220 HydrophobicContact CD1-CB 4.37Å; L213-I220 HydrophobicContact CD1-CG1 4.22Å; L213-I220 HydrophobicContact CD1-CG2 4.1Å; A216-I220 WeakPolarHBondContact O-CG1 3.25Å; A216-I220 PolarHBondContact O-N 3.1Å; M217-I220 PolarHBondContact O-N 2.99Å; M217-I220 VanDerWaalsContact O-N 3.12Å |
| 221 | M | 95.7 | Very high | 95.8 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 5% | 0.054 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -79.5 | 149.5 | -177.2 | -67.1 | -64 | 164.8 | 0 | 0 | 112 | L109 M217 L225 I228 L303 R307 | L109-M221 HydrophobicContact CD1-CE 3.36Å; M217-M221 HydrophobicContact CG-CG 3.87Å; M217-M221 WeakPolarHBondContact O-CB 3.49Å; M217-M221 PolarHBondContact O-N 3.37Å; M217-M221 HydrophobicContact SD-CE 3.43Å; M217-M221 WeakPolarHBondContact SD-CE 3.21Å; M217-M221 HydrophobicContact SD-CG 3.73Å; M217-M221 HydrophobicContact SD-SD 4.46Å; M221-L225 HydrophobicContact CB-CD2 3.77Å; M221-L225 HydrophobicContact CG-CD2 3.92Å; M221-L225 HydrophobicContact SD-CD2 4.18Å; M221-I228 HydrophobicContact CE-CD1 4.49Å; M221-L303 HydrophobicContact CB-CD1 3.79Å; M221-L303 HydrophobicContact CG-CD1 4.13Å; M221-R307 PolarHBondContact O-NH2 3.26Å |
| 222 | P | 95.6 | Very high | 96.5 | Very high | 78 Ų | 78 | 32.3 Ų | 32.3 | 51% | 0.506 | 18% | 0.175 | S | C | . | . | trans | -48.7 | 146 | 177 | -30.2 | 37.6 | 0 | 0 | 0 | 113.9 | D224 L225 R307 | P222-D224 WeakPolarHBondContact CB-OD1 3.47Å; P222-D224 PolarHBondContact O-N 2.79Å; P222-L225 WeakPolarHBondContact O-CB 3.41Å; P222-L225 PolarHBondContact O-N 3.33Å; P222-L225 VanDerWaalsContact O-N 3.08Å; P222-R307 PolarHBondContact O-NH2 3.34Å | ||
| 223 | A | 94.2 | Very high | 96.9 | Very high | 81 Ų | 81 | 33 Ų | 33 | 67% | 0.669 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -26 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q226 R307 | A223-Q226 PolarHBondContact O-NE2 2.74Å; A223-R307 PolarHBondContact O-NH1 3.35Å |
| 224 | D | 94.6 | Very high | 97.1 | Very high | 132 Ų | 132 | 34.1 Ų | 34.1 | 71% | 0.706 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -26 | 175.3 | 61.6 | -32.8 | 0 | 0 | 0 | 112.5 | P222 Q226 | P222-D224 WeakPolarHBondContact CB-OD1 3.47Å; P222-D224 PolarHBondContact O-N 2.79Å; D224-Q226 PolarHBondContact O-N 3.05Å; D224-Q226 VanDerWaalsContact O-N 3.17Å; D224-Q226 PolarHBondContact O-NE2 3.11Å |
| 225 | L | 97.3 | Very high | 97.1 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | trans | -70.2 | 109.6 | 172.4 | -174.4 | 68.6 | 0 | 0 | 0 | 110.9 | H107 M221 P222 I228 L303 R307 | H107-L225 HydrophobicContact CB-CD1 3.97Å; H107-L225 WeakPolarHBondContact CD2-CD1 3.38Å; H107-L225 WeakPolarHBondContact NE2-CD1 3.42Å; M221-L225 HydrophobicContact CB-CD2 3.77Å; M221-L225 HydrophobicContact CG-CD2 3.92Å; M221-L225 HydrophobicContact SD-CD2 4.18Å; P222-L225 WeakPolarHBondContact O-CB 3.41Å; P222-L225 PolarHBondContact O-N 3.33Å; P222-L225 VanDerWaalsContact O-N 3.08Å; L225-I228 HydrophobicContact CD2-CB 4.41Å; L225-I228 HydrophobicContact CD2-CD1 4.13Å; L225-L303 HydrophobicContact CD2-CD1 3.87Å; L225-L303 HydrophobicContact CG-CD1 4.02Å; L225-R307 PolarHBondContact O-NH1 2.93Å; L225-R307 PolarHBondContact O-NH2 2.74Å | ||
| 226 | Q | 98.1 | Very high | 97.2 | Very high | 89 Ų | 89 | 35.1 Ų | 35.1 | 42% | 0.416 | 19% | 0.188 | S | C | . | . | trans | -92.6 | -34.4 | -176.4 | -59.9 | -47.9 | -56.7 | 0 | 0 | 114.3 | A223 D224 D302 L303 G304 | A223-Q226 PolarHBondContact O-NE2 2.74Å; D224-Q226 PolarHBondContact O-N 3.05Å; D224-Q226 VanDerWaalsContact O-N 3.17Å; D224-Q226 PolarHBondContact O-NE2 3.11Å; Q226-D302 CarbonylContact O-C 3.46Å; Q226-L303 WeakPolarHBondContact O-CA 3.44Å; Q226-L303 WeakPolarHBondContact O-CB 3.4Å; Q226-L303 PolarHBondContact O-N 2.87Å; Q226-G304 PolarHBondContact O-N 3.01Å; Q226-G304 VanDerWaalsContact O-N 3.16Å | ||
| 227 | R | 98.6 | Very high | 97.3 | Very high | 84 Ų | 84 | 35.1 Ų | 35.1 | 32% | 0.317 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 135.5 | -171.7 | -67 | -179.9 | -70.7 | -179.8 | -0.2 | 109.8 | F248 D249 L301 | R227-F248 HydrophobicContact CB-CD1 4.49Å; R227-F248 HydrophobicContact CB-CD2 4.38Å; R227-F248 HydrophobicContact CB-CE1 4.13Å; R227-F248 HydrophobicContact CB-CE2 4.01Å; R227-F248 HydrophobicContact CB-CZ 3.87Å; R227-F248 HydrophobicContact CG-CD1 4.05Å; R227-F248 HydrophobicContact CG-CE1 4.04Å; R227-F248 HydrophobicContact CG-CG 4.3Å; R227-F248 HydrophobicContact CG-CZ 4.29Å; R227-D249 IonicContact NH1-OD1 3.29Å; R227-D249 PolarHBondContact NH1-OD1 2.96Å; R227-L301 WeakPolarHBondContact CA-O 3.45Å |
| 228 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 143.6 | 175.9 | -166 | 168.7 | 0 | 0 | 0 | 110.1 | H107 L109 M217 M221 L225 L301 L303 | H107-I228 HydrophobicContact CB-CB 4.26Å; H107-I228 HydrophobicContact CB-CD1 4.29Å; H107-I228 HydrophobicContact CB-CG1 3.82Å; H107-I228 WeakPolarHBondContact O-CA 3.42Å; H107-I228 WeakPolarHBondContact O-CG1 3.38Å; L109-I228 HydrophobicContact CB-CD1 3.71Å; L109-I228 HydrophobicContact CB-CG1 4.18Å; L109-I228 HydrophobicContact CD1-CD1 4.04Å; M217-I228 HydrophobicContact CG-CG2 4.03Å; M221-I228 HydrophobicContact CE-CD1 4.49Å; L225-I228 HydrophobicContact CD2-CB 4.41Å; L225-I228 HydrophobicContact CD2-CD1 4.13Å; I228-L301 HydrophobicContact CG2-CB 3.92Å; I228-L301 HydrophobicContact CG2-CD1 4.2Å; I228-L301 HydrophobicContact CG2-CG 4.49Å; I228-L301 PolarHBondContact N-O 2.89Å; I228-L301 PolarHBondContact O-N 2.95Å; I228-L303 HydrophobicContact CG2-CD1 3.94Å; I228-L303 HydrophobicContact CG2-CD2 3.95Å; I228-L303 HydrophobicContact CG2-CG 4.05Å |
| 229 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.6 | 173.2 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | H107 A108 L109 L231 L244 F245 F248 M299 L300 | H107-V229 PolarHBondContact O-N 3.37Å; A108-V229 CarbonylContact C-O 3.46Å; A108-V229 VanDerWaalsContact CA-O 3.23Å; A108-V229 WeakPolarHBondContact CA-O 3.29Å; L109-V229 PolarHBondContact N-O 2.93Å; V229-L231 HydrophobicContact CG1-CD1 4.19Å; V229-L231 HydrophobicContact CG1-CD2 3.73Å; V229-L231 HydrophobicContact CG1-CG 3.83Å; V229-L244 HydrophobicContact CG1-CD2 3.77Å; V229-F245 HydrophobicContact CB-CE1 4.23Å; V229-F245 HydrophobicContact CB-CZ 4.21Å; V229-F245 HydrophobicContact CG2-CD1 3.72Å; V229-F245 HydrophobicContact CG2-CE1 3.42Å; V229-F245 VanDerWaalsContact CG2-CE1 3.42Å; V229-F245 HydrophobicContact CG2-CE2 4.31Å; V229-F245 HydrophobicContact CG2-CG 4.3Å; V229-F245 HydrophobicContact CG2-CZ 3.74Å; V229-F248 HydrophobicContact CG2-CE2 3.93Å; V229-F248 HydrophobicContact CG2-CZ 4.43Å; V229-M299 CarbonylContact C-O 3.5Å; V229-M299 VanDerWaalsContact CA-O 3.26Å; V229-M299 WeakPolarHBondContact CA-O 3.21Å; V229-M299 WeakPolarHBondContact CG1-O 3Å; V229-L300 HydrophobicContact CG1-CD1 4.22Å; V229-L300 HydrophobicContact CG2-CD1 4.33Å; V229-L300 HydrophobicContact CG2-CG 4.09Å |
| 230 | Q | 98.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 133.4 | 172.3 | -176.2 | 171.7 | -24.4 | 0 | 0 | 110.3 | L109 S214 M299 L301 | L109-Q230 HydrophobicContact CD2-CG 4Å; L109-Q230 CarbonylContact O-C 3.58Å; L109-Q230 WeakPolarHBondContact O-CA 3.34Å; S214-Q230 VanDerWaalsContact CB-OE1 3.22Å; Q230-M299 HydrophobicContact CB-CB 4.42Å; Q230-M299 HydrophobicContact CB-CE 4.01Å; Q230-M299 HydrophobicContact CG-CE 3.9Å; Q230-M299 PolarHBondContact N-O 3.41Å; Q230-M299 PolarHBondContact O-N 3.04Å; Q230-L301 HydrophobicContact CB-CD1 4.38Å |
| 231 | L | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 138.3 | -169.9 | -61.5 | 162.5 | 0 | 0 | 0 | 110.7 | A108 L109 M110 M132 V229 L235 Y237 I241 L244 G297 V298 | A108-L231 HydrophobicContact CB-CD1 4.01Å; L109-L231 PolarHBondContact O-N 3.44Å; M110-L231 WeakPolarHBondContact CA-O 3.29Å; M110-L231 HydrophobicContact CE-CB 4.22Å; M110-L231 HydrophobicContact CE-CD1 4.07Å; M110-L231 HydrophobicContact CG-CB 4.15Å; M132-L231 HydrophobicContact CE-CD1 4.3Å; V229-L231 HydrophobicContact CG1-CD1 4.19Å; V229-L231 HydrophobicContact CG1-CD2 3.73Å; V229-L231 HydrophobicContact CG1-CG 3.83Å; L231-L235 HydrophobicContact CB-CD1 4Å; L231-L235 HydrophobicContact CD2-CD1 4.05Å; L231-Y237 WeakPolarHBondContact CD1-OH 3.26Å; L231-I241 HydrophobicContact CD1-CD1 3.7Å; L231-L244 HydrophobicContact CD2-CD2 4.33Å; L231-G297 WeakPolarHBondContact CA-O 3.45Å; L231-V298 HydrophobicContact CD2-CB 4.34Å; L231-V298 HydrophobicContact CD2-CG1 3.95Å; L231-V298 HydrophobicContact CD2-CG2 4.02Å |
| 232 | D | 98.1 | Very high | 97.4 | Very high | 47 Ų | 47 | 37 Ų | 37 | 25% | 0.251 | 19% | 0.194 | S | C | . | . | trans | -72.2 | 160.6 | 170.5 | -84.2 | -10.9 | 0 | 0 | 0 | 112.5 | L235 G297 H389 | D232-L235 HydrophobicContact CB-CD1 4.49Å; D232-L235 HydrophobicContact CB-CD2 4.32Å; D232-L235 HydrophobicContact CB-CG 4.17Å; D232-L235 WeakPolarHBondContact O-CD1 3.49Å; D232-L235 VanDerWaalsContact O-CG 3.3Å; D232-L235 WeakPolarHBondContact O-CG 3.35Å; D232-G297 VanDerWaalsContact CG-CA 3.48Å; D232-G297 PolarHBondContact N-O 2.74Å; D232-G297 WeakPolarHBondContact OD2-CA 2.83Å; D232-H389 IonicContact OD2-CE1 3.39Å; D232-H389 PolarHBondContact OD2-CE1 3Å; D232-H389 VanDerWaalsContact OD2-CE1 3.29Å; D232-H389 IonicContact OD2-NE2 2.9Å; D232-H389 PolarHBondContact OD2-NE2 3.23Å | ||
| 233 | L | 96.9 | Very high | 97.5 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -83.5 | -16.8 | 178.7 | -62.2 | -176.2 | 0 | 0 | 0 | 114 | M110 M111 F112 V115 K124 F125 A128 L235 | M110-L233 HydrophobicContact CB-CD2 3.69Å; M110-L233 HydrophobicContact CG-CD2 4.28Å; M110-L233 HydrophobicContact SD-CD2 3.85Å; M111-L233 WeakPolarHBondContact O-CD1 3.37Å; M111-L233 VanDerWaalsContact O-CG 3.25Å; M111-L233 WeakPolarHBondContact O-CG 3.21Å; F112-L233 HydrophobicContact CD2-CD1 3.81Å; F112-L233 HydrophobicContact CD2-CD2 4.03Å; F112-L233 HydrophobicContact CE2-CD1 4.44Å; V115-L233 HydrophobicContact CG2-CD1 3.99Å; K124-L233 CarbonylContact C-O 3.55Å; F125-L233 HydrophobicContact CD2-CD2 3.71Å; F125-L233 HydrophobicContact CE2-CD2 4.21Å; F125-L233 PolarHBondContact N-O 3.44Å; A128-L233 WeakPolarHBondContact CB-O 3.43Å; L233-L235 VanDerWaalsContact C-N 3.31Å; L233-L235 PolarHBondContact O-N 3.33Å |
| 234 | D | 97.7 | Very high | 97.7 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -100.6 | 42.7 | 179.9 | 57.8 | -5.6 | 0 | 0 | 0 | 112.7 | K124 H389 G390 I396 | K124-D234 HydrophobicContact CB-CB 4.03Å; K124-D234 HydrophobicContact CD-CB 3.7Å; K124-D234 HydrophobicContact CG-CB 3.84Å; K124-D234 IonicContact NZ-OD2 3.42Å; K124-D234 PolarHBondContact NZ-OD2 3.2Å; D234-H389 IonicContact OD1-CD2 3.41Å; D234-H389 PolarHBondContact OD1-CD2 3.16Å; D234-H389 IonicContact OD1-NE2 3.77Å; D234-H389 PolarHBondContact OD1-NE2 3.36Å; D234-G390 PolarHBondContact O-N 3.44Å; D234-I396 WeakPolarHBondContact O-CD1 3.35Å |
| 235 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 157.8 | 173.4 | -57.4 | -178.9 | 0 | 0 | 0 | 111.5 | A128 L231 D232 L233 Y237 V298 I387 Y388 H389 | A128-L235 WeakPolarHBondContact CA-O 3.24Å; A128-L235 VanDerWaalsContact CB-O 3.29Å; A128-L235 WeakPolarHBondContact CB-O 3.02Å; A128-L235 PolarHBondContact N-O 2.93Å; L231-L235 HydrophobicContact CB-CD1 4Å; L231-L235 HydrophobicContact CD2-CD1 4.05Å; D232-L235 HydrophobicContact CB-CD1 4.49Å; D232-L235 HydrophobicContact CB-CD2 4.32Å; D232-L235 HydrophobicContact CB-CG 4.17Å; D232-L235 WeakPolarHBondContact O-CD1 3.49Å; D232-L235 VanDerWaalsContact O-CG 3.3Å; D232-L235 WeakPolarHBondContact O-CG 3.35Å; L233-L235 VanDerWaalsContact C-N 3.31Å; L233-L235 PolarHBondContact O-N 3.33Å; L235-Y237 HydrophobicContact CB-CE2 4.2Å; L235-V298 HydrophobicContact CD1-CG2 4.01Å; L235-V298 HydrophobicContact CD2-CG2 4.5Å; L235-I387 HydrophobicContact CB-CG2 3.91Å; L235-I387 HydrophobicContact CD1-CG2 4.11Å; L235-I387 HydrophobicContact CD2-CG2 4.03Å; L235-I387 HydrophobicContact CG-CG2 4.23Å; L235-Y388 CarbonylContact C-O 3.5Å; L235-Y388 VanDerWaalsContact CA-O 3.25Å; L235-Y388 WeakPolarHBondContact CA-O 3.39Å; L235-H389 HydrophobicContact CD2-CB 3.55Å |
| 236 | K | 98.5 | Very high | 97.9 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 119.2 | 165.3 | -177.3 | -178.3 | 174.8 | -176.7 | 0 | 108.9 | V127 I387 Y388 I396 P397 D399 | V127-K236 HydrophobicContact CG1-CB 4.02Å; V127-K236 HydrophobicContact CG1-CD 4.29Å; V127-K236 HydrophobicContact CG1-CG 4.05Å; K236-I387 WeakPolarHBondContact O-CA 3.42Å; K236-Y388 PolarHBondContact N-O 2.95Å; K236-Y388 PolarHBondContact O-N 3.29Å; K236-I396 HydrophobicContact CB-CD1 3.81Å; K236-I396 HydrophobicContact CB-CG2 3.8Å; K236-I396 HydrophobicContact CD-CG2 3.62Å; K236-I396 HydrophobicContact CG-CG2 4.35Å; K236-P397 PolarHBondContact NZ-O 3Å; K236-D399 WeakPolarHBondContact CE-OD1 3.36Å; K236-D399 IonicContact NZ-OD1 2.84Å; K236-D399 PolarHBondContact NZ-OD1 3.48Å |
| 237 | Y | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 140.3 | -178.8 | -56.7 | -97.1 | 0 | 0 | 0 | 110 | A128 S131 M132 Y135 L231 L235 I241 I387 | A128-Y237 HydrophobicContact CB-CE2 4.21Å; A128-Y237 VanDerWaalsContact O-CD2 3.25Å; A128-Y237 WeakPolarHBondContact O-CD2 3.19Å; A128-Y237 WeakPolarHBondContact O-CE2 3.42Å; S131-Y237 WeakPolarHBondContact CB-O 3.43Å; S131-Y237 PolarHBondContact OG-N 3.28Å; M132-Y237 HydrophobicContact CB-CD2 3.64Å; M132-Y237 HydrophobicContact CB-CE2 3.89Å; M132-Y237 HydrophobicContact CB-CG 4.07Å; M132-Y237 HydrophobicContact CE-CD2 4.37Å; M132-Y237 HydrophobicContact CE-CE1 3.78Å; M132-Y237 HydrophobicContact CE-CE2 3.58Å; M132-Y237 WeakPolarHBondContact CE-OH 3.23Å; Y135-Y237 WeakPolarHBondContact CD2-O 3.43Å; Y135-Y237 WeakPolarHBondContact CE2-O 3.36Å; L231-Y237 WeakPolarHBondContact CD1-OH 3.26Å; L235-Y237 HydrophobicContact CB-CE2 4.2Å; Y237-I241 HydrophobicContact CD1-CD1 4.48Å; Y237-I241 HydrophobicContact CE1-CD1 3.82Å; Y237-I241 HydrophobicContact CE1-CG1 4.35Å; Y237-I387 HydrophobicContact CD1-CD1 3.9Å; Y237-I387 HydrophobicContact CD1-CG1 3.95Å; Y237-I387 HydrophobicContact CE1-CD1 3.79Å; Y237-I387 HydrophobicContact CE1-CG1 4.3Å |
| 238 | R | 97.2 | Very high | 97.9 | Very high | 79 Ų | 79 | 23.5 Ų | 23.5 | 30% | 0.298 | 11% | 0.111 | S | C | . | . | trans | -124.8 | -3.4 | 177.9 | -67.6 | -69.3 | -63.9 | -134 | -5.6 | 112.4 | Y386 Y388 D399 | R238-Y386 PolarHBondContact N-O 3.1Å; R238-Y388 HydrophobicContact CG-CD2 4Å; R238-Y388 HydrophobicContact CG-CE2 4.11Å; R238-D399 IonicContact CZ-OD1 3.57Å; R238-D399 IonicContact NE-OD1 3.97Å; R238-D399 VanDerWaalsContact NH1-CA 3.29Å; R238-D399 IonicContact NH1-OD1 2.72Å; R238-D399 PolarHBondContact NH1-OD1 3.23Å; R238-D399 PolarHBondContact NH1-OXT 3.45Å | ||
| 239 | S | 96.1 | Very high | 97.9 | Very high | 19 Ų | 19 | 29.1 Ų | 29.1 | 13% | 0.133 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -144.9 | 176 | 177.4 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | Y135 I241 Y386 | Y135-S239 WeakPolarHBondContact CB-O 3.45Å; S239-I241 PolarHBondContact O-N 3.36Å; S239-Y386 WeakPolarHBondContact OG-CB 3.49Å; S239-Y386 WeakPolarHBondContact OG-CD1 3.41Å |
| 240 | N | 97.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | trans | -68.7 | 119.8 | 179.7 | -177.9 | 6.3 | 0 | 0 | 0 | 111.2 | Y135 S136 L137 R242 E243 | Y135-N240 WeakPolarHBondContact O-CA 3.43Å; S136-N240 WeakPolarHBondContact CA-OD1 3.36Å; L137-N240 PolarHBondContact N-OD1 3.42Å; L137-N240 PolarHBondContact O-ND2 2.9Å; L137-N240 PolarHBondContact O-OD1 3.31Å; N240-R242 PolarHBondContact O-N 2.83Å; N240-R242 WeakPolarHBondContact OD1-CB 3.39Å; N240-R242 PolarHBondContact OD1-N 3.36Å; N240-R242 VanDerWaalsContact OD1-N 3.07Å; N240-E243 HydrophobicContact CB-CG 4.32Å; N240-E243 WeakPolarHBondContact O-CB 3.33Å; N240-E243 PolarHBondContact O-N 3.31Å; N240-E243 VanDerWaalsContact O-N 3.08Å | ||
| 241 | I | 96.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.8 | 179.3 | -163.4 | 172.3 | 0 | 0 | 0 | 113 | M132 S136 F138 L144 L231 Y237 S239 E243 L244 F245 | M132-I241 HydrophobicContact CE-CD1 3.69Å; M132-I241 HydrophobicContact SD-CD1 4.23Å; S136-I241 WeakPolarHBondContact OG-CG2 3.11Å; F138-I241 HydrophobicContact CE2-CG2 3.97Å; F138-I241 HydrophobicContact CZ-CG2 3.87Å; L144-I241 HydrophobicContact CD2-CG2 4.38Å; L231-I241 HydrophobicContact CD1-CD1 3.7Å; Y237-I241 HydrophobicContact CD1-CD1 4.48Å; Y237-I241 HydrophobicContact CE1-CD1 3.82Å; Y237-I241 HydrophobicContact CE1-CG1 4.35Å; S239-I241 PolarHBondContact O-N 3.36Å; I241-E243 PolarHBondContact O-N 2.96Å; I241-E243 VanDerWaalsContact O-N 3.16Å; I241-L244 VanDerWaalsContact O-CB 3.23Å; I241-L244 WeakPolarHBondContact O-CB 3.25Å; I241-L244 PolarHBondContact O-N 2.88Å; I241-F245 HydrophobicContact CG1-CE2 4.26Å; I241-F245 WeakPolarHBondContact O-CD2 3.39Å |
| 242 | R | 97.1 | Very high | 97.8 | Very high | 57 Ų | 57 | 40.6 Ų | 40.6 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.3 | -33.5 | 175 | -173.7 | -177.4 | 176.4 | -79.7 | -4.3 | 112.1 | Y106 L137 F138 E142 N240 L244 F245 | Y106-R242 HydrophobicContact CE1-CG 4.37Å; L137-R242 VanDerWaalsContact O-CD 3.28Å; L137-R242 WeakPolarHBondContact O-CD 3.41Å; F138-R242 HydrophobicContact CD1-CB 4.3Å; F138-R242 HydrophobicContact CD1-CG 4.16Å; F138-R242 HydrophobicContact CE1-CB 3.91Å; F138-R242 HydrophobicContact CE1-CG 4.01Å; F138-R242 HydrophobicContact CZ-CB 4.07Å; E142-R242 IonicContact OE1-CZ 3.21Å; E142-R242 IonicContact OE1-NE 3.33Å; E142-R242 PolarHBondContact OE1-NE 2.89Å; E142-R242 VanDerWaalsContact OE1-NE 3.14Å; E142-R242 IonicContact OE1-NH2 2.94Å; E142-R242 PolarHBondContact OE1-NH2 3.09Å; E142-R242 WeakPolarHBondContact OE2-CD 3.45Å; E142-R242 IonicContact OE2-CZ 3.51Å; E142-R242 IonicContact OE2-NE 2.8Å; E142-R242 PolarHBondContact OE2-NE 3.07Å; E142-R242 IonicContact OE2-NH2 2.74Å; N240-R242 PolarHBondContact O-N 2.83Å; N240-R242 WeakPolarHBondContact OD1-CB 3.39Å; N240-R242 PolarHBondContact OD1-N 3.36Å; N240-R242 VanDerWaalsContact OD1-N 3.07Å; R242-L244 VanDerWaalsContact C-N 3.27Å; R242-L244 PolarHBondContact O-N 3.15Å; R242-F245 PolarHBondContact O-N 2.73Å |
| 243 | E | 97.8 | Very high | 97.8 | Very high | 86 Ų | 86 | 44.8 Ų | 44.8 | 40% | 0.402 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.1 | -29.4 | 177.5 | -67.5 | 172.2 | -168 | 0 | 0 | 112.5 | N240 I241 F245 L246 W358 | N240-E243 HydrophobicContact CB-CG 4.32Å; N240-E243 WeakPolarHBondContact O-CB 3.33Å; N240-E243 PolarHBondContact O-N 3.31Å; N240-E243 VanDerWaalsContact O-N 3.08Å; I241-E243 PolarHBondContact O-N 2.96Å; I241-E243 VanDerWaalsContact O-N 3.16Å; E243-F245 VanDerWaalsContact C-N 3.31Å; E243-F245 PolarHBondContact O-N 3.27Å; E243-L246 WeakPolarHBondContact O-CB 3.43Å; E243-L246 PolarHBondContact O-N 3.46Å; E243-W358 HydrophobicContact CB-CH2 3.78Å; E243-W358 HydrophobicContact CB-CZ2 4.2Å |
| 244 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 174.7 | -177.7 | 58.9 | 0 | 0 | 0 | 110.8 | V229 L231 I241 R242 L246 E247 V298 L300 W358 I387 | V229-L244 HydrophobicContact CG1-CD2 3.77Å; L231-L244 HydrophobicContact CD2-CD2 4.33Å; I241-L244 VanDerWaalsContact O-CB 3.23Å; I241-L244 WeakPolarHBondContact O-CB 3.25Å; I241-L244 PolarHBondContact O-N 2.88Å; R242-L244 VanDerWaalsContact C-N 3.27Å; R242-L244 PolarHBondContact O-N 3.15Å; L244-L246 PolarHBondContact O-N 3.28Å; L244-E247 VanDerWaalsContact O-CB 3.3Å; L244-E247 WeakPolarHBondContact O-CB 3.32Å; L244-E247 PolarHBondContact O-N 3.5Å; L244-V298 HydrophobicContact CD1-CG1 4.38Å; L244-V298 HydrophobicContact CD2-CG1 3.81Å; L244-L300 HydrophobicContact CD1-CD1 3.65Å; L244-L300 HydrophobicContact CD2-CD1 4.26Å; L244-L300 HydrophobicContact CG-CD1 3.84Å; L244-W358 HydrophobicContact CB-CE3 4.11Å; L244-W358 HydrophobicContact CB-CH2 3.96Å; L244-W358 HydrophobicContact CB-CZ2 4.49Å; L244-W358 HydrophobicContact CB-CZ3 3.73Å; L244-W358 HydrophobicContact CD1-CB 4.38Å; L244-W358 HydrophobicContact CD1-CD2 3.66Å; L244-W358 HydrophobicContact CD1-CE3 3.67Å; L244-W358 HydrophobicContact CD1-CG 3.99Å; L244-W358 HydrophobicContact CD1-CZ3 4.18Å; L244-W358 HydrophobicContact CG-CE3 4.33Å; L244-W358 HydrophobicContact CG-CZ3 4.44Å; L244-I387 HydrophobicContact CD2-CD1 4.22Å |
| 245 | F | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 6% | 0.057 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.6 | -23.3 | 177.8 | -69.8 | -92.8 | 0 | 0 | 0 | 113.2 | Y106 H107 A108 L144 V229 I241 R242 E243 E247 F248 | Y106-F245 HydrophobicContact CD1-CB 3.71Å; Y106-F245 AromaticContact CD1-CD1 3.71Å; Y106-F245 HydrophobicContact CD1-CD1 3.71Å; Y106-F245 AromaticContact CD1-CD2 3.82Å; Y106-F245 HydrophobicContact CD1-CD2 3.82Å; Y106-F245 HydrophobicContact CD1-CE1 4.21Å; Y106-F245 HydrophobicContact CD1-CE2 4.33Å; Y106-F245 AromaticContact CD1-CG 3.48Å; Y106-F245 HydrophobicContact CD1-CG 3.48Å; Y106-F245 VanDerWaalsContact CD1-CG 3.48Å; Y106-F245 HydrophobicContact CE1-CB 3.86Å; Y106-F245 HydrophobicContact CE1-CG 4.16Å; Y106-F245 HydrophobicContact CG-CG 4.47Å; H107-F245 WeakPolarHBondContact O-CE1 3.06Å; A108-F245 HydrophobicContact CB-CZ 4.45Å; L144-F245 HydrophobicContact CD1-CE2 4.45Å; L144-F245 HydrophobicContact CD1-CZ 4.38Å; V229-F245 HydrophobicContact CB-CE1 4.23Å; V229-F245 HydrophobicContact CB-CZ 4.21Å; V229-F245 HydrophobicContact CG2-CD1 3.72Å; V229-F245 HydrophobicContact CG2-CE1 3.42Å; V229-F245 VanDerWaalsContact CG2-CE1 3.42Å; V229-F245 HydrophobicContact CG2-CE2 4.31Å; V229-F245 HydrophobicContact CG2-CG 4.3Å; V229-F245 HydrophobicContact CG2-CZ 3.74Å; I241-F245 HydrophobicContact CG1-CE2 4.26Å; I241-F245 WeakPolarHBondContact O-CD2 3.39Å; R242-F245 PolarHBondContact O-N 2.73Å; E243-F245 VanDerWaalsContact C-N 3.31Å; E243-F245 PolarHBondContact O-N 3.27Å; F245-E247 PolarHBondContact O-N 3.03Å; F245-F248 HydrophobicContact CD1-CE2 4.18Å; F245-F248 WeakPolarHBondContact O-CD2 3.42Å; F245-F248 PolarHBondContact O-N 2.96Å |
| 246 | L | 97.2 | Very high | 97.8 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -70.7 | -14.7 | 174.8 | -57.7 | 177.4 | 0 | 0 | 0 | 112.5 | E243 L244 F248 D249 | E243-L246 WeakPolarHBondContact O-CB 3.43Å; E243-L246 PolarHBondContact O-N 3.46Å; L244-L246 PolarHBondContact O-N 3.28Å; L246-F248 PolarHBondContact O-N 3.25Å; L246-D249 PolarHBondContact O-N 2.79Å |
| 247 | E | 98.4 | Very high | 97.8 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -68.5 | -22 | 173.9 | -70 | -69 | 143.9 | 0 | 0 | 112.4 | L244 F245 D249 R250 F251 L300 H352 L354 | L244-E247 VanDerWaalsContact O-CB 3.3Å; L244-E247 WeakPolarHBondContact O-CB 3.32Å; L244-E247 PolarHBondContact O-N 3.5Å; F245-E247 PolarHBondContact O-N 3.03Å; E247-D249 PolarHBondContact O-N 3.46Å; E247-R250 WeakPolarHBondContact O-CB 3.42Å; E247-R250 PolarHBondContact O-N 3.22Å; E247-R250 IonicContact OE1-CZ 3.26Å; E247-R250 IonicContact OE1-NE 2.58Å; E247-R250 IonicContact OE1-NH1 2.87Å; E247-R250 PolarHBondContact OE1-NH1 3.26Å; E247-F251 VanDerWaalsContact O-CD1 3.27Å; E247-F251 WeakPolarHBondContact O-CD1 3.31Å; E247-L300 HydrophobicContact CB-CD2 3.61Å; E247-H352 IonicContact OE2-CD2 3.64Å; E247-H352 IonicContact OE2-CE1 2.79Å; E247-H352 IonicContact OE2-NE2 3.8Å; E247-H352 PolarHBondContact OE2-NE2 3.13Å; E247-L354 HydrophobicContact CB-CD2 4.04Å; E247-L354 HydrophobicContact CG-CD2 4.08Å |
| 248 | F | 98.6 | Very high | 97.9 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 4% | 0.044 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -58.7 | -38 | 171.8 | -79.4 | -71.9 | 0 | 0 | 0 | 112 | R227 V229 F245 L246 R250 F251 L300 D302 | R227-F248 HydrophobicContact CB-CD1 4.49Å; R227-F248 HydrophobicContact CB-CD2 4.38Å; R227-F248 HydrophobicContact CB-CE1 4.13Å; R227-F248 HydrophobicContact CB-CE2 4.01Å; R227-F248 HydrophobicContact CB-CZ 3.87Å; R227-F248 HydrophobicContact CG-CD1 4.05Å; R227-F248 HydrophobicContact CG-CE1 4.04Å; R227-F248 HydrophobicContact CG-CG 4.3Å; R227-F248 HydrophobicContact CG-CZ 4.29Å; V229-F248 HydrophobicContact CG2-CE2 3.93Å; V229-F248 HydrophobicContact CG2-CZ 4.43Å; F245-F248 HydrophobicContact CD1-CE2 4.18Å; F245-F248 WeakPolarHBondContact O-CD2 3.42Å; F245-F248 PolarHBondContact O-N 2.96Å; L246-F248 PolarHBondContact O-N 3.25Å; F248-R250 PolarHBondContact O-N 2.82Å; F248-R250 VanDerWaalsContact O-N 3.09Å; F248-F251 HydrophobicContact CD1-CE1 4.17Å; F248-F251 AromaticContact CD1-CE2 3.99Å; F248-F251 HydrophobicContact CD1-CE2 3.99Å; F248-F251 AromaticContact CD1-CZ 3.73Å; F248-F251 HydrophobicContact CD1-CZ 3.73Å; F248-F251 HydrophobicContact CE1-CE2 4.25Å; F248-F251 AromaticContact CE1-CZ 3.97Å; F248-F251 HydrophobicContact CE1-CZ 3.97Å; F248-F251 WeakPolarHBondContact O-CB 3.39Å; F248-F251 PolarHBondContact O-N 2.97Å; F248-F251 VanDerWaalsContact O-N 3.15Å; F248-L300 HydrophobicContact CD1-CB 4.33Å; F248-L300 HydrophobicContact CD1-CD2 4.41Å; F248-L300 HydrophobicContact CD2-CD2 3.9Å; F248-L300 HydrophobicContact CD2-CG 4.26Å; F248-L300 HydrophobicContact CE1-CB 3.69Å; F248-L300 HydrophobicContact CE1-CD2 4.45Å; F248-L300 HydrophobicContact CE1-CG 4.3Å; F248-L300 HydrophobicContact CE2-CB 4.05Å; F248-L300 HydrophobicContact CE2-CD2 3.95Å; F248-L300 HydrophobicContact CE2-CG 3.78Å; F248-L300 HydrophobicContact CG-CD2 4.14Å; F248-L300 HydrophobicContact CZ-CB 3.53Å; F248-L300 HydrophobicContact CZ-CD2 4.24Å; F248-L300 HydrophobicContact CZ-CG 3.81Å; F248-D302 HydrophobicContact CD1-CB 4.2Å; F248-D302 HydrophobicContact CE1-CB 4.03Å |
| 249 | D | 97.8 | Very high | 98 | Very high | 118 Ų | 118 | 41.1 Ų | 41.1 | 63% | 0.631 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -69.7 | -8.6 | -179.4 | -55.8 | -25.4 | 0 | 0 | 0 | 112.3 | R227 L246 E247 | R227-D249 IonicContact NH1-OD1 3.29Å; R227-D249 PolarHBondContact NH1-OD1 2.96Å; L246-D249 PolarHBondContact O-N 2.79Å; E247-D249 PolarHBondContact O-N 3.46Å |
| 250 | R | 98.1 | Very high | 98.1 | Very high | 162 Ų | 162 | 40.2 Ų | 40.2 | 61% | 0.611 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -101.6 | -0 | 179.1 | -57.8 | -179.7 | 176.3 | -173.7 | -6.1 | 113.2 | E247 F248 | E247-R250 WeakPolarHBondContact O-CB 3.42Å; E247-R250 PolarHBondContact O-N 3.22Å; E247-R250 IonicContact OE1-CZ 3.26Å; E247-R250 IonicContact OE1-NE 2.58Å; E247-R250 IonicContact OE1-NH1 2.87Å; E247-R250 PolarHBondContact OE1-NH1 3.26Å; F248-R250 PolarHBondContact O-N 2.82Å; F248-R250 VanDerWaalsContact O-N 3.09Å |
| 251 | F | 98.5 | Very high | 98.1 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 126 | 179.7 | -82.5 | 27.8 | 0 | 0 | 0 | 109.8 | E247 F248 A255 G258 L300 D302 H352 | E247-F251 VanDerWaalsContact O-CD1 3.27Å; E247-F251 WeakPolarHBondContact O-CD1 3.31Å; F248-F251 HydrophobicContact CD1-CE1 4.17Å; F248-F251 AromaticContact CD1-CE2 3.99Å; F248-F251 HydrophobicContact CD1-CE2 3.99Å; F248-F251 AromaticContact CD1-CZ 3.73Å; F248-F251 HydrophobicContact CD1-CZ 3.73Å; F248-F251 HydrophobicContact CE1-CE2 4.25Å; F248-F251 AromaticContact CE1-CZ 3.97Å; F248-F251 HydrophobicContact CE1-CZ 3.97Å; F248-F251 WeakPolarHBondContact O-CB 3.39Å; F248-F251 PolarHBondContact O-N 2.97Å; F248-F251 VanDerWaalsContact O-N 3.15Å; F251-A255 HydrophobicContact CB-CB 4.26Å; F251-A255 HydrophobicContact CD2-CB 4.19Å; F251-A255 HydrophobicContact CG-CB 4.37Å; F251-G258 VanDerWaalsContact CZ-CA 3.5Å; F251-L300 HydrophobicContact CE1-CB 4.34Å; F251-L300 HydrophobicContact CE1-CD2 4.14Å; F251-L300 HydrophobicContact CZ-CB 3.82Å; F251-L300 HydrophobicContact CZ-CD2 4.4Å; F251-D302 HydrophobicContact CD2-CB 4.4Å; F251-D302 HydrophobicContact CE2-CB 4.04Å; F251-H352 HydrophobicContact CD1-CB 3.43Å; F251-H352 VanDerWaalsContact CD1-CB 3.43Å; F251-H352 AromaticContact CD1-CD2 3.64Å; F251-H352 AromaticContact CD1-CG 3.58Å; F251-H352 HydrophobicContact CE1-CB 3.61Å; F251-H352 AromaticContact CE1-CD2 3.58Å; F251-H352 AromaticContact CE1-CG 3.84Å; F251-H352 HydrophobicContact CG-CB 3.96Å; F251-H352 HydrophobicContact CZ-CB 4.25Å |
| 252 | P | 97.8 | Very high | 98.2 | Very high | 61 Ų | 61 | 42 Ų | 42 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -67.9 | 158.3 | 173.2 | 29.5 | -33.8 | 0 | 0 | 0 | 110.2 | G254 A255 | P252-G254 PolarHBondContact O-N 3.41Å; P252-A255 HydrophobicContact CG-CB 3.86Å; P252-A255 WeakPolarHBondContact O-CB 3.34Å; P252-A255 PolarHBondContact O-N 3.27Å |
| 253 | P | 97.3 | Very high | 98.3 | Very high | 136 Ų | 136 | 39.6 Ų | 39.6 | 88% | 0.883 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 127.2 | 176.1 | -26.3 | 34.8 | 0 | 0 | 0 | 112.1 | ||
| 254 | G | 97 | Very high | 98.3 | Very high | 52 Ų | 52 | 36 Ų | 36 | 54% | 0.536 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -14.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P252 G349 | P252-G254 PolarHBondContact O-N 3.41Å; G254-G349 CarbonylContact C-O 3.58Å |
| 255 | A | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 36 Ų | 36 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | trans | -70.9 | 136.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F251 P252 G349 L350 H352 | F251-A255 HydrophobicContact CB-CB 4.26Å; F251-A255 HydrophobicContact CD2-CB 4.19Å; F251-A255 HydrophobicContact CG-CB 4.37Å; P252-A255 HydrophobicContact CG-CB 3.86Å; P252-A255 WeakPolarHBondContact O-CB 3.34Å; P252-A255 PolarHBondContact O-N 3.27Å; A255-G349 WeakPolarHBondContact CA-O 3.2Å; A255-G349 PolarHBondContact N-O 3.5Å; A255-L350 WeakPolarHBondContact CA-O 3.46Å; A255-H352 HydrophobicContact CB-CB 4.44Å | ||
| 256 | V | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | trans | -119 | -20.8 | -178.6 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | D302 A305 M306 Y312 L350 | V256-D302 WeakPolarHBondContact O-CB 3.21Å; V256-D302 PolarHBondContact O-N 3.3Å; V256-A305 HydrophobicContact CB-CB 4.32Å; V256-A305 HydrophobicContact CG1-CB 3.88Å; V256-M306 HydrophobicContact CB-CG 3.79Å; V256-M306 HydrophobicContact CG2-CG 4.26Å; V256-Y312 HydrophobicContact CG2-CD2 3.83Å; V256-Y312 HydrophobicContact CG2-CE2 4.34Å; V256-Y312 HydrophobicContact CG2-CG 4.11Å; V256-L350 HydrophobicContact CG2-CB 4.26Å; V256-L350 HydrophobicContact CG2-CD2 4.15Å; V256-L350 PolarHBondContact N-O 3.45Å | ||
| 257 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.6 | -178 | -66.9 | 164.2 | 0 | 0 | 0 | 110 | I259 L300 L301 M306 Y312 F340 L350 F351 H352 | I257-I259 HydrophobicContact CG2-CB 4.13Å; I257-I259 HydrophobicContact CG2-CG2 4.43Å; I257-L300 CarbonylContact C-O 3.27Å; I257-L300 VanDerWaalsContact CA-O 3.26Å; I257-L300 WeakPolarHBondContact CA-O 3.46Å; I257-L301 HydrophobicContact CD1-CD2 4.29Å; I257-L301 HydrophobicContact CG1-CD2 3.85Å; I257-L301 HydrophobicContact CG2-CD2 4.13Å; I257-M306 HydrophobicContact CD1-CE 4.37Å; I257-M306 HydrophobicContact CG1-SD 4.35Å; I257-Y312 HydrophobicContact CD1-CE2 3.98Å; I257-F340 HydrophobicContact CD1-CD1 3.88Å; I257-F340 HydrophobicContact CD1-CE1 3.34Å; I257-F340 HydrophobicContact CD1-CZ 3.73Å; I257-L350 PolarHBondContact N-O 3.42Å; I257-F351 HydrophobicContact CB-CD1 3.94Å; I257-F351 HydrophobicContact CB-CE1 4.08Å; I257-F351 HydrophobicContact CD1-CE1 4.11Å; I257-F351 HydrophobicContact CG2-CD1 4.03Å; I257-F351 HydrophobicContact CG2-CE1 4.16Å; I257-F351 CarbonylContact O-C 3.55Å; I257-F351 VanDerWaalsContact O-CA 3.25Å; I257-F351 WeakPolarHBondContact O-CA 3.34Å; I257-H352 PolarHBondContact O-N 3.47Å |
| 258 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | F251 M299 L300 H352 | F251-G258 VanDerWaalsContact CZ-CA 3.5Å; G258-M299 CarbonylContact O-C 3.54Å; G258-M299 WeakPolarHBondContact O-CA 3.34Å; G258-L300 PolarHBondContact N-O 2.88Å; G258-L300 PolarHBondContact O-N 2.74Å; G258-H352 CarbonylContact C-O 3.22Å; G258-H352 VanDerWaalsContact CA-O 3.25Å; G258-H352 WeakPolarHBondContact CA-O 3.28Å |
| 259 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 149.7 | -175.1 | -164.4 | 166.2 | 0 | 0 | 0 | 111.5 | I257 F294 N295 M299 F340 F351 H352 L354 | I257-I259 HydrophobicContact CG2-CB 4.13Å; I257-I259 HydrophobicContact CG2-CG2 4.43Å; I259-F294 HydrophobicContact CD1-CB 3.69Å; I259-F294 HydrophobicContact CD1-CG 4.32Å; I259-F294 HydrophobicContact CG1-CB 4Å; I259-F294 HydrophobicContact CG1-CG 4.45Å; I259-F294 HydrophobicContact CG2-CB 4.11Å; I259-F294 HydrophobicContact CG2-CD1 3.56Å; I259-F294 HydrophobicContact CG2-CD2 3.95Å; I259-F294 HydrophobicContact CG2-CE1 3.85Å; I259-F294 HydrophobicContact CG2-CE2 4.2Å; I259-F294 HydrophobicContact CG2-CG 3.62Å; I259-F294 HydrophobicContact CG2-CZ 4.16Å; I259-N295 VanDerWaalsContact CG1-O 3.32Å; I259-N295 WeakPolarHBondContact CG1-O 3.49Å; I259-M299 HydrophobicContact CD1-CG 3.76Å; I259-M299 HydrophobicContact CD1-SD 3.95Å; I259-M299 HydrophobicContact CG1-CG 4.04Å; I259-F340 HydrophobicContact CD1-CD2 4.31Å; I259-F351 HydrophobicContact CG2-CD1 3.75Å; I259-F351 HydrophobicContact CG2-CE1 4.46Å; I259-F351 HydrophobicContact CG2-CG 4.48Å; I259-H352 PolarHBondContact N-O 3.19Å; I259-L354 PolarHBondContact O-N 2.9Å |
| 260 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 149.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F294 N295 L354 N359 | A260-F294 WeakPolarHBondContact O-CA 3.46Å; A260-N295 PolarHBondContact O-N 3.14Å; A260-L354 HydrophobicContact CB-CB 4.3Å; A260-N359 HydrophobicContact CB-CB 3.65Å |
| 261 | R | 98.6 | Very high | 98.2 | Very high | 52 Ų | 52 | 22 Ų | 22 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 144.8 | 171 | -75.1 | 179.5 | -180 | 173.8 | 4.5 | 110.8 | P287 P288 P292 G293 Q353 Q361 | R261-P287 VanDerWaalsContact NH1-CB 3.35Å; R261-P288 PolarHBondContact NH1-O 3.07Å; R261-P292 HydrophobicContact CB-CG 3.87Å; R261-P292 HydrophobicContact CG-CG 3.93Å; R261-G293 WeakPolarHBondContact CA-O 3.17Å; R261-Q353 VanDerWaalsContact CD-NE2 3.33Å; R261-Q353 HydrophobicContact CG-CG 4.21Å; R261-Q353 VanDerWaalsContact CZ-CD 3.48Å; R261-Q353 VanDerWaalsContact CZ-NE2 3.27Å; R261-Q361 PolarHBondContact O-OE1 3.39Å |
| 262 | E | 98.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 128 | 169.7 | 176.5 | 49.3 | -107.7 | 0 | 0 | 110.6 | Q264 V266 Y267 G293 N295 Q361 | E262-Q264 WeakPolarHBondContact OE1-CB 3.42Å; E262-Q264 PolarHBondContact OE1-N 2.84Å; E262-V266 HydrophobicContact CG-CG1 3.43Å; E262-V266 VanDerWaalsContact CG-CG1 3.43Å; E262-Y267 HydrophobicContact CB-CD2 4.08Å; E262-Y267 HydrophobicContact CB-CE2 4.12Å; E262-Y267 HydrophobicContact CG-CD2 4Å; E262-Y267 HydrophobicContact CG-CE2 4.07Å; E262-G293 PolarHBondContact N-O 3.07Å; E262-N295 PolarHBondContact OE2-ND2 3.25Å; E262-Q361 PolarHBondContact OE1-NE2 3.27Å; E262-Q361 PolarHBondContact OE2-NE2 2.93Å |
| 263 | M | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 25 Ų | 25 | 3% | 0.034 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -92.3 | 5 | -175.1 | -65 | -175.6 | -161.2 | 0 | 0 | 113.9 | C356 N359 R360 Q361 Y378 Y379 C381 | M263-C356 HydrophobicContact CE-CB 3.41Å; M263-C356 VanDerWaalsContact CE-CB 3.41Å; M263-C356 WeakPolarHBondContact CE-O 3.47Å; M263-N359 WeakPolarHBondContact CE-O 3.47Å; M263-R360 PolarHBondContact SD-NH1 3.08Å; M263-Q361 HydrophobicContact CB-CB 4.17Å; M263-Q361 HydrophobicContact CG-CB 4.37Å; M263-Q361 HydrophobicContact SD-CB 4.08Å; M263-Q361 HydrophobicContact SD-CG 4.44Å; M263-Y378 CarbonylContact O-C 3.49Å; M263-Y378 WeakPolarHBondContact O-CB 3.33Å; M263-Y379 HydrophobicContact CB-CD2 4.37Å; M263-Y379 VanDerWaalsContact O-CA 3.23Å; M263-Y379 WeakPolarHBondContact O-CA 3.31Å; M263-Y379 PolarHBondContact O-N 2.87Å; M263-C381 HydrophobicContact SD-CB 4.47Å |
| 264 | Q | 98.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 20 Ų | 20 | 5% | 0.047 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -117.7 | 154.8 | 173 | -57 | -164.8 | -76.1 | 0 | 0 | 111.7 | E262 V266 C363 W365 W366 F375 | E262-Q264 WeakPolarHBondContact OE1-CB 3.42Å; E262-Q264 PolarHBondContact OE1-N 2.84Å; Q264-V266 PolarHBondContact O-N 3.32Å; Q264-C363 VanDerWaalsContact NE2-C 3.27Å; Q264-C363 PolarHBondContact NE2-O 3.38Å; Q264-C363 PolarHBondContact OE1-SG 3.47Å; Q264-C363 VanDerWaalsContact OE1-SG 3.33Å; Q264-W365 VanDerWaalsContact NE2-N 3.17Å; Q264-W366 HydrophobicContact CB-CB 4.33Å; Q264-W366 HydrophobicContact CB-CG 4.44Å; Q264-F375 HydrophobicContact CG-CE2 4.12Å |
| 265 | P | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 29 | 177.7 | 30.8 | -34.6 | 0 | 0 | 0 | 113.6 | Y267 R268 H269 W366 Y371 F375 Y378 | P265-Y267 VanDerWaalsContact C-N 3.33Å; P265-Y267 PolarHBondContact O-N 3.19Å; P265-R268 HydrophobicContact CB-CB 3.97Å; P265-R268 VanDerWaalsContact O-CB 3.29Å; P265-R268 WeakPolarHBondContact O-CB 3.13Å; P265-R268 PolarHBondContact O-N 3.01Å; P265-H269 PolarHBondContact O-N 2.84Å; P265-H269 VanDerWaalsContact O-N 3.1Å; P265-W366 HydrophobicContact CG-CB 4.05Å; P265-Y371 HydrophobicContact CB-CD1 4.02Å; P265-Y371 HydrophobicContact CB-CG 4.15Å; P265-Y371 VanDerWaalsContact CG-CB 3.44Å; P265-Y371 HydrophobicContact CG-CD1 4.13Å; P265-Y371 HydrophobicContact CG-CD2 4.43Å; P265-Y371 HydrophobicContact CG-CG 3.75Å; P265-F375 HydrophobicContact CG-CD2 4.39Å; P265-Y378 HydrophobicContact CB-CD1 4.33Å; P265-Y378 HydrophobicContact CB-CD2 3.85Å; P265-Y378 HydrophobicContact CB-CE1 4.22Å; P265-Y378 HydrophobicContact CB-CE2 3.74Å; P265-Y378 HydrophobicContact CB-CG 4.16Å; P265-Y378 HydrophobicContact CG-CD2 4.41Å |
| 266 | V | 97.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59 | -44.3 | 179.6 | 62.1 | 0 | 0 | 0 | 0 | 111 | E262 Q264 H269 T270 W366 | E262-V266 HydrophobicContact CG-CG1 3.43Å; E262-V266 VanDerWaalsContact CG-CG1 3.43Å; Q264-V266 PolarHBondContact O-N 3.32Å; V266-H269 CarbonylContact O-C 3.59Å; V266-H269 WeakPolarHBondContact O-CA 3.05Å; V266-H269 VanDerWaalsContact O-CB 3.26Å; V266-H269 WeakPolarHBondContact O-CB 3.28Å; V266-H269 PolarHBondContact O-N 2.9Å; V266-H269 VanDerWaalsContact O-N 3.13Å; V266-T270 PolarHBondContact O-N 2.94Å; V266-T270 PolarHBondContact O-OG1 3.42Å; V266-W366 HydrophobicContact CB-CZ2 4.24Å; V266-W366 HydrophobicContact CG2-CZ2 3.72Å |
| 267 | Y | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -77.8 | -22.8 | 178.7 | -66.1 | -65 | 0 | 0 | 0 | 112.9 | E262 P265 H269 T270 F271 P292 F330 Q337 D338 S341 | E262-Y267 HydrophobicContact CB-CD2 4.08Å; E262-Y267 HydrophobicContact CB-CE2 4.12Å; E262-Y267 HydrophobicContact CG-CD2 4Å; E262-Y267 HydrophobicContact CG-CE2 4.07Å; P265-Y267 VanDerWaalsContact C-N 3.33Å; P265-Y267 PolarHBondContact O-N 3.19Å; Y267-H269 PolarHBondContact O-N 3.46Å; Y267-T270 PolarHBondContact O-N 2.97Å; Y267-F271 HydrophobicContact CD1-CD2 4.28Å; Y267-F271 AromaticContact CD1-CE2 3.82Å; Y267-F271 HydrophobicContact CD1-CE2 3.82Å; Y267-F271 HydrophobicContact CG-CE2 4.26Å; Y267-F271 WeakPolarHBondContact O-CB 3.32Å; Y267-F271 VanDerWaalsContact O-CD2 3.26Å; Y267-F271 WeakPolarHBondContact O-CD2 3.28Å; Y267-F271 PolarHBondContact O-N 3.12Å; Y267-P292 WeakPolarHBondContact CB-O 2.96Å; Y267-P292 WeakPolarHBondContact CD2-O 3.32Å; Y267-F330 AromaticContact CD1-CE2 3.97Å; Y267-F330 HydrophobicContact CD1-CE2 3.97Å; Y267-F330 HydrophobicContact CD1-CZ 4.27Å; Y267-F330 HydrophobicContact CE1-CE2 4.04Å; Y267-F330 AromaticContact CE1-CZ 3.89Å; Y267-F330 HydrophobicContact CE1-CZ 3.89Å; Y267-Q337 WeakPolarHBondContact OH-CG 3.39Å; Y267-Q337 PolarHBondContact OH-NE2 2.67Å; Y267-Q337 PolarHBondContact OH-O 2.96Å; Y267-D338 WeakPolarHBondContact CE1-OD1 3.38Å; Y267-D338 PolarHBondContact OH-OD1 3.44Å; Y267-S341 VanDerWaalsContact CE2-OG 3.24Å; Y267-S341 WeakPolarHBondContact CE2-OG 3.33Å; Y267-S341 PolarHBondContact OH-OG 3.45Å |
| 268 | R | 98.3 | Very high | 98.1 | Very high | 48 Ų | 48 | 35.6 Ų | 35.6 | 18% | 0.181 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.1 | -40.2 | 165.1 | -165.6 | -166.9 | -174.8 | 84.9 | 0.9 | 110.7 | P265 G284 E285 Y371 Y378 | P265-R268 HydrophobicContact CB-CB 3.97Å; P265-R268 VanDerWaalsContact O-CB 3.29Å; P265-R268 WeakPolarHBondContact O-CB 3.13Å; P265-R268 PolarHBondContact O-N 3.01Å; R268-G284 WeakPolarHBondContact CB-O 3.24Å; R268-E285 IonicContact CZ-OE2 3.22Å; R268-E285 IonicContact NH1-OE1 3.69Å; R268-E285 IonicContact NH1-OE2 3.32Å; R268-E285 PolarHBondContact NH1-OE2 3.35Å; R268-Y371 HydrophobicContact CG-CE1 4.42Å; R268-Y378 VanDerWaalsContact CD-OH 3.25Å; R268-Y378 WeakPolarHBondContact CD-OH 3.38Å; R268-Y378 WeakPolarHBondContact CG-OH 3.32Å; R268-Y378 PolarHBondContact NH1-OH 2.9Å |
| 269 | H | 97 | Very high | 98 | Very high | 17 Ų | 17 | 41 Ų | 41 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.5 | -51 | 175 | -176 | 87.1 | 0 | 0 | 0 | 111.9 | P265 V266 Y267 F271 W272 W366 Y371 | P265-H269 PolarHBondContact O-N 2.84Å; P265-H269 VanDerWaalsContact O-N 3.1Å; V266-H269 CarbonylContact O-C 3.59Å; V266-H269 WeakPolarHBondContact O-CA 3.05Å; V266-H269 VanDerWaalsContact O-CB 3.26Å; V266-H269 WeakPolarHBondContact O-CB 3.28Å; V266-H269 PolarHBondContact O-N 2.9Å; V266-H269 VanDerWaalsContact O-N 3.13Å; Y267-H269 PolarHBondContact O-N 3.46Å; H269-F271 VanDerWaalsContact C-N 3.35Å; H269-F271 PolarHBondContact O-N 3.38Å; H269-W272 VanDerWaalsContact O-CB 3.25Å; H269-W272 WeakPolarHBondContact O-CB 3.42Å; H269-W272 PolarHBondContact O-N 2.99Å; H269-W272 VanDerWaalsContact O-N 3.11Å; H269-W366 HydrophobicContact CB-CH2 3.88Å; H269-W366 HydrophobicContact CB-CZ3 3.82Å; H269-W366 AromaticContact CD2-CH2 3.52Å; H269-W366 AromaticContact CG-CH2 3.55Å; H269-W366 AromaticContact CG-CZ3 3.59Å; H269-W366 AromaticContact ND1-CZ3 3.77Å; H269-Y371 WeakPolarHBondContact CA-OH 3.41Å; H269-Y371 HydrophobicContact CB-CE2 4.01Å; H269-Y371 VanDerWaalsContact CB-OH 3.23Å; H269-Y371 WeakPolarHBondContact CB-OH 3.29Å; H269-Y371 AromaticContact ND1-CE2 3.74Å; H269-Y371 AromaticContact ND1-CZ 3.65Å; H269-Y371 PolarHBondContact ND1-OH 2.86Å |
| 270 | T | 96.6 | Very high | 97.9 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 14% | 0.141 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | -174.7 | -52.1 | 0 | 0 | 0 | 0 | 112.3 | V266 Y267 W272 F330 R331 | V266-T270 PolarHBondContact O-N 2.94Å; V266-T270 PolarHBondContact O-OG1 3.42Å; Y267-T270 PolarHBondContact O-N 2.97Å; T270-W272 VanDerWaalsContact C-N 3.27Å; T270-W272 PolarHBondContact O-N 3.37Å; T270-F330 HydrophobicContact CG2-CD2 3.73Å; T270-F330 HydrophobicContact CG2-CE1 4.17Å; T270-F330 HydrophobicContact CG2-CE2 3.38Å; T270-F330 HydrophobicContact CG2-CG 4.33Å; T270-F330 HydrophobicContact CG2-CZ 3.64Å; T270-R331 WeakPolarHBondContact CG2-O 3.49Å |
| 271 | F | 97.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 20.3 | 178 | -67 | -86.7 | 0 | 0 | 0 | 113.4 | Y267 H269 Q273 Y274 R275 V283 Y328 F330 M345 | Y267-F271 HydrophobicContact CD1-CD2 4.28Å; Y267-F271 AromaticContact CD1-CE2 3.82Å; Y267-F271 HydrophobicContact CD1-CE2 3.82Å; Y267-F271 HydrophobicContact CG-CE2 4.26Å; Y267-F271 WeakPolarHBondContact O-CB 3.32Å; Y267-F271 VanDerWaalsContact O-CD2 3.26Å; Y267-F271 WeakPolarHBondContact O-CD2 3.28Å; Y267-F271 PolarHBondContact O-N 3.12Å; H269-F271 VanDerWaalsContact C-N 3.35Å; H269-F271 PolarHBondContact O-N 3.38Å; F271-Q273 VanDerWaalsContact C-N 3.29Å; F271-Q273 PolarHBondContact O-N 2.9Å; F271-Y274 PolarHBondContact O-N 3.28Å; F271-R275 HydrophobicContact CB-CG 4.3Å; F271-R275 WeakPolarHBondContact O-CB 3.45Å; F271-R275 VanDerWaalsContact O-CG 3.31Å; F271-R275 WeakPolarHBondContact O-CG 3.42Å; F271-R275 PolarHBondContact O-N 3.19Å; F271-V283 HydrophobicContact CB-CG1 3.81Å; F271-V283 HydrophobicContact CD1-CG1 3.62Å; F271-V283 HydrophobicContact CD2-CG1 3.87Å; F271-V283 HydrophobicContact CE1-CG1 4.03Å; F271-V283 HydrophobicContact CE2-CG1 4.3Å; F271-V283 HydrophobicContact CG-CG1 3.52Å; F271-V283 HydrophobicContact CZ-CG1 4.37Å; F271-Y328 AromaticContact CD1-CD1 3.98Å; F271-Y328 HydrophobicContact CD1-CD1 3.98Å; F271-Y328 HydrophobicContact CD1-CG 4.24Å; F271-Y328 AromaticContact CE1-CD1 3.76Å; F271-Y328 HydrophobicContact CE1-CD1 3.76Å; F271-Y328 AromaticContact CE1-CG 3.77Å; F271-Y328 HydrophobicContact CE1-CG 3.77Å; F271-F330 AromaticContact CD1-CD2 3.88Å; F271-F330 HydrophobicContact CD1-CD2 3.88Å; F271-F330 HydrophobicContact CD2-CD2 4.2Å; F271-F330 HydrophobicContact CD2-CE2 4.12Å; F271-F330 AromaticContact CE1-CD2 3.38Å; F271-F330 HydrophobicContact CE1-CD2 3.38Å; F271-F330 HydrophobicContact CE1-CE2 4.01Å; F271-F330 HydrophobicContact CE1-CG 4.36Å; F271-F330 AromaticContact CE2-CD2 3.71Å; F271-F330 HydrophobicContact CE2-CD2 3.71Å; F271-F330 AromaticContact CE2-CE2 3.46Å; F271-F330 HydrophobicContact CE2-CE2 3.46Å; F271-F330 VanDerWaalsContact CE2-CE2 3.46Å; F271-F330 HydrophobicContact CG-CD2 4.28Å; F271-F330 AromaticContact CZ-CD2 3.27Å; F271-F330 HydrophobicContact CZ-CD2 3.27Å; F271-F330 AromaticContact CZ-CE2 3.4Å; F271-F330 HydrophobicContact CZ-CE2 3.4Å; F271-F330 HydrophobicContact CZ-CG 4.46Å; F271-M345 HydrophobicContact CD2-CE 4.31Å; F271-M345 HydrophobicContact CE1-CG 4.13Å; F271-M345 HydrophobicContact CE2-CE 3.59Å; F271-M345 HydrophobicContact CE2-CG 4.3Å; F271-M345 HydrophobicContact CZ-CE 3.97Å; F271-M345 HydrophobicContact CZ-CG 3.73Å |
| 272 | W | 96.9 | Very high | 97.8 | Very high | 93 Ų | 93 | 56 Ų | 56 | 35% | 0.352 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53 | -43.8 | -173.4 | 123.2 | 89.5 | 0 | 0 | 0 | 113.2 | F45 H269 T270 R275 K276 | F45-W272 HydrophobicContact CB-CZ2 4.32Å; F45-W272 HydrophobicContact CD1-CE3 4.38Å; F45-W272 AromaticContact CD1-CH2 3.83Å; F45-W272 HydrophobicContact CD1-CH2 3.83Å; F45-W272 HydrophobicContact CD1-CZ2 4.43Å; F45-W272 AromaticContact CD1-CZ3 3.8Å; F45-W272 HydrophobicContact CD1-CZ3 3.8Å; F45-W272 AromaticContact CD2-CD2 3.78Å; F45-W272 HydrophobicContact CD2-CD2 3.78Å; F45-W272 AromaticContact CD2-CE3 3.46Å; F45-W272 HydrophobicContact CD2-CE3 3.46Å; F45-W272 VanDerWaalsContact CD2-CE3 3.46Å; F45-W272 HydrophobicContact CD2-CG 4.44Å; F45-W272 HydrophobicContact CD2-CH2 4.28Å; F45-W272 AromaticContact CD2-CZ3 3.74Å; F45-W272 HydrophobicContact CD2-CZ3 3.74Å; F45-W272 HydrophobicContact CE1-CE3 4.27Å; F45-W272 HydrophobicContact CE1-CH2 4.02Å; F45-W272 AromaticContact CE1-CZ3 3.6Å; F45-W272 HydrophobicContact CE1-CZ3 3.6Å; F45-W272 HydrophobicContact CE2-CD2 4.1Å; F45-W272 AromaticContact CE2-CE3 3.32Å; F45-W272 HydrophobicContact CE2-CE3 3.32Å; F45-W272 HydrophobicContact CE2-CH2 4.45Å; F45-W272 AromaticContact CE2-CZ3 3.55Å; F45-W272 HydrophobicContact CE2-CZ3 3.55Å; F45-W272 HydrophobicContact CG-CD2 4.25Å; F45-W272 HydrophobicContact CG-CE3 4.01Å; F45-W272 AromaticContact CG-CH2 3.97Å; F45-W272 HydrophobicContact CG-CH2 3.97Å; F45-W272 HydrophobicContact CG-CZ2 4.2Å; F45-W272 AromaticContact CG-CZ3 3.87Å; F45-W272 HydrophobicContact CG-CZ3 3.87Å; F45-W272 AromaticContact CZ-CE3 3.76Å; F45-W272 HydrophobicContact CZ-CE3 3.76Å; F45-W272 HydrophobicContact CZ-CH2 4.33Å; F45-W272 AromaticContact CZ-CZ3 3.47Å; F45-W272 HydrophobicContact CZ-CZ3 3.47Å; F45-W272 VanDerWaalsContact CZ-CZ3 3.47Å; H269-W272 VanDerWaalsContact O-CB 3.25Å; H269-W272 WeakPolarHBondContact O-CB 3.42Å; H269-W272 PolarHBondContact O-N 2.99Å; H269-W272 VanDerWaalsContact O-N 3.11Å; T270-W272 VanDerWaalsContact C-N 3.27Å; T270-W272 PolarHBondContact O-N 3.37Å; W272-R275 PolarHBondContact O-N 3.27Å; W272-K276 WeakPolarHBondContact O-CB 3.44Å; W272-K276 PolarHBondContact O-N 3.25Å |
| 273 | Q | 97.6 | Very high | 97.8 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.6 | -49.7 | -176.6 | -177.6 | 174.5 | -14.4 | 0 | 0 | 110.6 | F271 R275 K276 E277 H329 | F271-Q273 VanDerWaalsContact C-N 3.29Å; F271-Q273 PolarHBondContact O-N 2.9Å; Q273-R275 VanDerWaalsContact C-N 3.29Å; Q273-R275 PolarHBondContact O-N 3.15Å; Q273-K276 WeakPolarHBondContact O-CB 3.26Å; Q273-K276 PolarHBondContact O-N 2.9Å; Q273-K276 VanDerWaalsContact O-N 3.1Å; Q273-E277 WeakPolarHBondContact CG-OE1 3.48Å; Q273-E277 PolarHBondContact NE2-OE1 3.33Å; Q273-E277 WeakPolarHBondContact O-CG 3.46Å; Q273-E277 PolarHBondContact O-N 3.36Å; Q273-H329 HydrophobicContact CB-CB 4.04Å; Q273-H329 HydrophobicContact CG-CB 4.22Å; Q273-H329 PolarHBondContact NE2-CE1 2.82Å; Q273-H329 PolarHBondContact NE2-ND1 3.14Å |
| 274 | Y | 98.2 | Very high | 97.8 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 12% | 0.122 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56 | -44.3 | 175.3 | 177.1 | -92.2 | 0 | 0 | 0 | 111.9 | F271 K276 E277 N278 S281 V283 Q327 Y328 | F271-Y274 PolarHBondContact O-N 3.28Å; Y274-K276 VanDerWaalsContact C-N 3.34Å; Y274-K276 PolarHBondContact O-N 3.4Å; Y274-E277 PolarHBondContact O-N 3.36Å; Y274-N278 WeakPolarHBondContact CD2-ND2 3.44Å; Y274-N278 HydrophobicContact CE1-CB 4.25Å; Y274-N278 WeakPolarHBondContact CE2-ND2 3.46Å; Y274-N278 WeakPolarHBondContact O-CB 3.31Å; Y274-N278 PolarHBondContact O-N 3.03Å; Y274-N278 PolarHBondContact O-ND2 3.28Å; Y274-S281 WeakPolarHBondContact CE1-OG 3.2Å; Y274-V283 HydrophobicContact CD1-CB 4.08Å; Y274-V283 HydrophobicContact CD1-CG1 4.02Å; Y274-V283 HydrophobicContact CD1-CG2 4.42Å; Y274-V283 HydrophobicContact CE1-CB 3.82Å; Y274-V283 HydrophobicContact CE1-CG1 4.17Å; Y274-V283 HydrophobicContact CE1-CG2 3.75Å; Y274-Q327 WeakPolarHBondContact CD2-O 3.48Å; Y274-Y328 WeakPolarHBondContact CB-O 3.46Å; Y274-Y328 HydrophobicContact CD1-CD1 4.01Å; Y274-Y328 HydrophobicContact CD1-CE1 4.38Å; Y274-Y328 AromaticContact CD2-CD1 3.74Å; Y274-Y328 HydrophobicContact CD2-CD1 3.74Å; Y274-Y328 HydrophobicContact CD2-CE1 4.3Å; Y274-Y328 AromaticContact CE1-CD1 3.98Å; Y274-Y328 HydrophobicContact CE1-CD1 3.98Å; Y274-Y328 AromaticContact CE1-CE1 3.89Å; Y274-Y328 HydrophobicContact CE1-CE1 3.89Å; Y274-Y328 AromaticContact CE2-CD1 3.69Å; Y274-Y328 HydrophobicContact CE2-CD1 3.69Å; Y274-Y328 AromaticContact CE2-CE1 3.78Å; Y274-Y328 HydrophobicContact CE2-CE1 3.78Å; Y274-Y328 AromaticContact CG-CD1 3.89Å; Y274-Y328 HydrophobicContact CG-CD1 3.89Å; Y274-Y328 AromaticContact CZ-CD1 3.83Å; Y274-Y328 AromaticContact CZ-CE1 3.56Å |
| 275 | R | 98.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 57.4 Ų | 57.4 | 21% | 0.208 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 177.4 | -71.2 | 178 | 65.3 | -96.6 | -9.5 | 112.8 | F271 W272 Q273 E277 N278 V283 E285 | F271-R275 HydrophobicContact CB-CG 4.3Å; F271-R275 WeakPolarHBondContact O-CB 3.45Å; F271-R275 VanDerWaalsContact O-CG 3.31Å; F271-R275 WeakPolarHBondContact O-CG 3.42Å; F271-R275 PolarHBondContact O-N 3.19Å; W272-R275 PolarHBondContact O-N 3.27Å; Q273-R275 VanDerWaalsContact C-N 3.29Å; Q273-R275 PolarHBondContact O-N 3.15Å; R275-E277 VanDerWaalsContact C-N 3.34Å; R275-N278 CarbonylContact O-C 3.5Å; R275-N278 VanDerWaalsContact O-C 3.27Å; R275-N278 PolarHBondContact O-N 3.22Å; R275-V283 WeakPolarHBondContact CD-O 3.37Å; R275-V283 VanDerWaalsContact CG-O 3.28Å; R275-V283 WeakPolarHBondContact CG-O 3.2Å; R275-V283 PolarHBondContact NE-O 3.48Å; R275-E285 IonicContact CZ-OE1 3.77Å; R275-E285 VanDerWaalsContact CZ-OE1 3.32Å; R275-E285 IonicContact NE-OE1 2.63Å; R275-E285 PolarHBondContact NE-OE1 3.27Å; R275-E285 IonicContact NH2-OE1 2.88Å; R275-E285 PolarHBondContact NH2-OE1 3.22Å |
| 276 | K | 97.9 | Very high | 97.8 | Very high | 164 Ų | 164 | 58.3 Ų | 58.3 | 71% | 0.713 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.1 | -40.2 | 175.5 | -177.6 | -177.3 | 176.1 | -174.4 | 0 | 111.4 | W272 Q273 Y274 N278 | W272-K276 WeakPolarHBondContact O-CB 3.44Å; W272-K276 PolarHBondContact O-N 3.25Å; Q273-K276 WeakPolarHBondContact O-CB 3.26Å; Q273-K276 PolarHBondContact O-N 2.9Å; Q273-K276 VanDerWaalsContact O-N 3.1Å; Y274-K276 VanDerWaalsContact C-N 3.34Å; Y274-K276 PolarHBondContact O-N 3.4Å; K276-N278 VanDerWaalsContact C-N 3.35Å |
| 277 | E | 98.3 | Very high | 97.7 | Very high | 105 Ų | 105 | 60 Ų | 60 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -76.9 | -23.3 | 178.9 | -68.2 | 169.8 | -166.8 | 0 | 0 | 112.3 | Q273 Y274 R275 H329 | Q273-E277 WeakPolarHBondContact CG-OE1 3.48Å; Q273-E277 PolarHBondContact NE2-OE1 3.33Å; Q273-E277 WeakPolarHBondContact O-CG 3.46Å; Q273-E277 PolarHBondContact O-N 3.36Å; Y274-E277 PolarHBondContact O-N 3.36Å; R275-E277 VanDerWaalsContact C-N 3.34Å; E277-H329 IonicContact OE1-NE2 3.46Å; E277-H329 PolarHBondContact OE1-NE2 3.05Å; E277-H329 IonicContact OE2-CD2 3.5Å; E277-H329 PolarHBondContact OE2-CD2 3.31Å; E277-H329 IonicContact OE2-CE1 3.9Å; E277-H329 IonicContact OE2-NE2 2.8Å; E277-H329 PolarHBondContact OE2-NE2 3.28Å |
| 278 | N | 98.1 | Very high | 97.6 | Very high | 65 Ų | 65 | 64.7 Ų | 64.7 | 35% | 0.348 | 32% | 0.316 | S | S | . | . | trans | -127.7 | 71.5 | -177.7 | -58.1 | -87.1 | 0 | 0 | 0 | 112 | Y274 R275 K276 Q280 S281 | Y274-N278 WeakPolarHBondContact CD2-ND2 3.44Å; Y274-N278 HydrophobicContact CE1-CB 4.25Å; Y274-N278 WeakPolarHBondContact CE2-ND2 3.46Å; Y274-N278 WeakPolarHBondContact O-CB 3.31Å; Y274-N278 PolarHBondContact O-N 3.03Å; Y274-N278 PolarHBondContact O-ND2 3.28Å; R275-N278 CarbonylContact O-C 3.5Å; R275-N278 VanDerWaalsContact O-C 3.27Å; R275-N278 PolarHBondContact O-N 3.22Å; K276-N278 VanDerWaalsContact C-N 3.35Å; N278-Q280 PolarHBondContact O-N 3.11Å; N278-S281 VanDerWaalsContact O-CB 3.28Å; N278-S281 WeakPolarHBondContact O-CB 3.26Å; N278-S281 PolarHBondContact O-N 3.32Å | ||
| 279 | P | 96.6 | Very high | 97.4 | Very high | 113 Ų | 113 | 68.4 Ų | 68.4 | 73% | 0.734 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.9 | -171.1 | -24.7 | 35 | 0 | 0 | 0 | 115.9 | ||
| 280 | Q | 96.8 | Very high | 97.4 | Very high | 194 Ų | 194 | 67.8 Ų | 67.8 | 91% | 0.907 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -1.7 | 178.6 | -64 | -176 | -33.9 | 0 | 0 | 112.9 | N278 | N278-Q280 PolarHBondContact O-N 3.11Š|
| 281 | S | 97.3 | Very high | 97.5 | Very high | 32 Ų | 32 | 68.1 Ų | 68.1 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | trans | -70.3 | 149.8 | -179.5 | -171.2 | 0 | 0 | 0 | 0 | 111.6 | Y274 N278 V283 | Y274-S281 WeakPolarHBondContact CE1-OG 3.2Å; N278-S281 VanDerWaalsContact O-CB 3.28Å; N278-S281 WeakPolarHBondContact O-CB 3.26Å; N278-S281 PolarHBondContact O-N 3.32Å; S281-V283 VanDerWaalsContact C-N 3.34Å; S281-V283 WeakPolarHBondContact OG-CG2 3.32Å; S281-V283 PolarHBondContact OG-N 2.75Å | ||
| 282 | R | 98.3 | Very high | 97.5 | Very high | 141 Ų | 141 | 68.1 Ų | 68.1 | 53% | 0.532 | 34% | 0.338 | S | S | . | . | trans | -86.9 | -8.8 | 174.6 | -58.7 | -174.5 | -61.4 | 147.3 | -5.1 | 112.7 | G284 E285 D289 L291 | R282-G284 PolarHBondContact O-N 3.35Å; R282-E285 WeakPolarHBondContact O-CB 2.99Å; R282-E285 PolarHBondContact O-N 3.37Å; R282-E285 VanDerWaalsContact O-N 3.12Å; R282-D289 WeakPolarHBondContact CD-O 3.34Å; R282-D289 PolarHBondContact NH1-O 2.77Å; R282-L291 HydrophobicContact CB-CG 4.31Å; R282-L291 PolarHBondContact O-N 2.88Å | ||
| 283 | V | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -61.3 | 125.5 | -177.4 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | F271 Y274 R275 S281 E285 Y328 M345 | F271-V283 HydrophobicContact CB-CG1 3.81Å; F271-V283 HydrophobicContact CD1-CG1 3.62Å; F271-V283 HydrophobicContact CD2-CG1 3.87Å; F271-V283 HydrophobicContact CE1-CG1 4.03Å; F271-V283 HydrophobicContact CE2-CG1 4.3Å; F271-V283 HydrophobicContact CG-CG1 3.52Å; F271-V283 HydrophobicContact CZ-CG1 4.37Å; Y274-V283 HydrophobicContact CD1-CB 4.08Å; Y274-V283 HydrophobicContact CD1-CG1 4.02Å; Y274-V283 HydrophobicContact CD1-CG2 4.42Å; Y274-V283 HydrophobicContact CE1-CB 3.82Å; Y274-V283 HydrophobicContact CE1-CG1 4.17Å; Y274-V283 HydrophobicContact CE1-CG2 3.75Å; R275-V283 WeakPolarHBondContact CD-O 3.37Å; R275-V283 VanDerWaalsContact CG-O 3.28Å; R275-V283 WeakPolarHBondContact CG-O 3.2Å; R275-V283 PolarHBondContact NE-O 3.48Å; S281-V283 VanDerWaalsContact C-N 3.34Å; S281-V283 WeakPolarHBondContact OG-CG2 3.32Å; S281-V283 PolarHBondContact OG-N 2.75Å; V283-E285 PolarHBondContact O-N 3.03Å; V283-Y328 HydrophobicContact CG2-CE1 4.08Å; V283-M345 HydrophobicContact CB-SD 4.26Å; V283-M345 HydrophobicContact CG1-CE 4.33Å; V283-M345 HydrophobicContact CG1-CG 3.97Å; V283-M345 HydrophobicContact CG1-SD 3.96Å; V283-M345 HydrophobicContact CG2-CB 3.97Å; V283-M345 HydrophobicContact CG2-CG 4Å; V283-M345 HydrophobicContact CG2-SD 3.97Å |
| 284 | G | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 0.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R268 R282 L291 Y378 | R268-G284 WeakPolarHBondContact CB-O 3.24Å; R282-G284 PolarHBondContact O-N 3.35Å; G284-L291 VanDerWaalsContact CA-O 3.29Å; G284-L291 WeakPolarHBondContact CA-O 2.97Å; G284-L291 PolarHBondContact N-O 2.98Å; G284-Y378 WeakPolarHBondContact O-CE1 3.3Å; G284-Y378 PolarHBondContact O-OH 2.84Å |
| 285 | E | 98.4 | Very high | 97.7 | Very high | 51 Ų | 51 | 60.9 Ų | 60.9 | 24% | 0.238 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 153.1 | 174.2 | -69.7 | -50.8 | 139.7 | 0 | 0 | 111.9 | R268 R275 R282 V283 G290 L291 | R268-E285 IonicContact CZ-OE2 3.22Å; R268-E285 IonicContact NH1-OE1 3.69Å; R268-E285 IonicContact NH1-OE2 3.32Å; R268-E285 PolarHBondContact NH1-OE2 3.35Å; R275-E285 IonicContact CZ-OE1 3.77Å; R275-E285 VanDerWaalsContact CZ-OE1 3.32Å; R275-E285 IonicContact NE-OE1 2.63Å; R275-E285 PolarHBondContact NE-OE1 3.27Å; R275-E285 IonicContact NH2-OE1 2.88Å; R275-E285 PolarHBondContact NH2-OE1 3.22Å; R282-E285 WeakPolarHBondContact O-CB 2.99Å; R282-E285 PolarHBondContact O-N 3.37Å; R282-E285 VanDerWaalsContact O-N 3.12Å; V283-E285 PolarHBondContact O-N 3.03Å; E285-G290 CarbonylContact O-C 3.56Å; E285-G290 WeakPolarHBondContact O-CA 3.27Å; E285-L291 CarbonylContact O-C 3.4Å; E285-L291 PolarHBondContact O-N 3.07Å |
| 286 | P | 98.1 | Very high | 97.7 | Very high | 19 Ų | 19 | 59 Ų | 59 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 161.7 | -179.3 | 29.9 | -33 | 0 | 0 | 0 | 112.4 | G290 L377 Y378 | P286-G290 VanDerWaalsContact O-CA 3.23Å; P286-G290 WeakPolarHBondContact O-CA 3.25Å; P286-G290 PolarHBondContact O-N 3.37Å; P286-L377 HydrophobicContact CB-CB 3.65Å; P286-L377 HydrophobicContact CG-CB 3.8Å; P286-L377 HydrophobicContact CG-CD1 4.14Å; P286-Y378 HydrophobicContact CB-CD1 4.08Å; P286-Y378 HydrophobicContact CB-CD2 3.93Å; P286-Y378 HydrophobicContact CB-CE1 3.93Å; P286-Y378 HydrophobicContact CB-CE2 3.76Å; P286-Y378 HydrophobicContact CB-CG 4.07Å; P286-Y378 WeakPolarHBondContact CD-OH 3.34Å; P286-Y378 HydrophobicContact CG-CE2 4.1Å |
| 287 | P | 96.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 51.2 Ų | 51.2 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 158.6 | 167.3 | 28.6 | -36.7 | 0 | 0 | 0 | 112.1 | R261 | R261-P287 VanDerWaalsContact NH1-CB 3.35Š|
| 288 | P | 95.2 | Very high | 97.7 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 65% | 0.649 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -80.3 | -31.9 | 7.8 | 30.1 | -33.9 | 0 | 0 | 0 | 114.4 | R261 | R261-P288 PolarHBondContact NH1-O 3.07Š|
| 289 | D | 94.8 | Very high | 97.8 | Very high | 126 Ų | 126 | 43.1 Ų | 43.1 | 67% | 0.674 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -20.9 | -167.4 | -57.8 | -47.5 | 0 | 0 | 0 | 114.2 | R282 | R282-D289 WeakPolarHBondContact CD-O 3.34Å; R282-D289 PolarHBondContact NH1-O 2.77Å |
| 290 | G | 97.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -78.2 | 167.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E285 P286 P292 | E285-G290 CarbonylContact O-C 3.56Å; E285-G290 WeakPolarHBondContact O-CA 3.27Å; P286-G290 VanDerWaalsContact O-CA 3.23Å; P286-G290 WeakPolarHBondContact O-CA 3.25Å; P286-G290 PolarHBondContact O-N 3.37Å; G290-P292 VanDerWaalsContact O-CD 3.3Å; G290-P292 WeakPolarHBondContact O-CD 3.45Å |
| 291 | L | 98.5 | Very high | 98 | Very high | 29 Ų | 29 | 28.5 Ų | 28.5 | 15% | 0.152 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -111.7 | 86.1 | 175.9 | -58.9 | 175.3 | 0 | 0 | 0 | 108.7 | R282 G284 E285 G293 M345 | R282-L291 HydrophobicContact CB-CG 4.31Å; R282-L291 PolarHBondContact O-N 2.88Å; G284-L291 VanDerWaalsContact CA-O 3.29Å; G284-L291 WeakPolarHBondContact CA-O 2.97Å; G284-L291 PolarHBondContact N-O 2.98Å; E285-L291 CarbonylContact O-C 3.4Å; E285-L291 PolarHBondContact O-N 3.07Å; L291-G293 PolarHBondContact O-N 3.26Å; L291-G293 VanDerWaalsContact O-N 3.15Å; L291-M345 HydrophobicContact CB-CE 4.32Å; L291-M345 HydrophobicContact CB-SD 3.51Å; L291-M345 VanDerWaalsContact CB-SD 3.51Å; L291-M345 HydrophobicContact CD1-SD 4.02Å; L291-M345 HydrophobicContact CG-SD 4.41Å; L291-M345 WeakPolarHBondContact O-CE 3.42Å |
| 292 | P | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | trans | -76.3 | 1.8 | -174.2 | 33.6 | -39.1 | 0 | 0 | 0 | 113.4 | R261 Y267 G290 Y378 | R261-P292 HydrophobicContact CB-CG 3.87Å; R261-P292 HydrophobicContact CG-CG 3.93Å; Y267-P292 WeakPolarHBondContact CB-O 2.96Å; Y267-P292 WeakPolarHBondContact CD2-O 3.32Å; G290-P292 VanDerWaalsContact O-CD 3.3Å; G290-P292 WeakPolarHBondContact O-CD 3.45Å; P292-Y378 HydrophobicContact CB-CD1 3.81Å; P292-Y378 HydrophobicContact CB-CE1 3.93Å | ||
| 293 | G | 98.5 | Very high | 98.1 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | trans | 81.2 | -172 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R261 E262 L291 | R261-G293 WeakPolarHBondContact CA-O 3.17Å; E262-G293 PolarHBondContact N-O 3.07Å; L291-G293 PolarHBondContact O-N 3.26Å; L291-G293 VanDerWaalsContact O-N 3.15Å | ||
| 294 | F | 98.8 | Very high | 98.1 | Very high | 23 Ų | 23 | 22.3 Ų | 22.3 | 10% | 0.101 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 159.2 | -173 | -59.5 | -54.3 | 0 | 0 | 0 | 112.4 | I259 A260 Q337 F340 S341 F351 | I259-F294 HydrophobicContact CD1-CB 3.69Å; I259-F294 HydrophobicContact CD1-CG 4.32Å; I259-F294 HydrophobicContact CG1-CB 4Å; I259-F294 HydrophobicContact CG1-CG 4.45Å; I259-F294 HydrophobicContact CG2-CB 4.11Å; I259-F294 HydrophobicContact CG2-CD1 3.56Å; I259-F294 HydrophobicContact CG2-CD2 3.95Å; I259-F294 HydrophobicContact CG2-CE1 3.85Å; I259-F294 HydrophobicContact CG2-CE2 4.2Å; I259-F294 HydrophobicContact CG2-CG 3.62Å; I259-F294 HydrophobicContact CG2-CZ 4.16Å; A260-F294 WeakPolarHBondContact O-CA 3.46Å; F294-Q337 VanDerWaalsContact O-CD 3.23Å; F294-Q337 WeakPolarHBondContact O-CG 3.38Å; F294-Q337 PolarHBondContact O-NE2 2.76Å; F294-F340 HydrophobicContact CD2-CB 4.29Å; F294-S341 PolarHBondContact N-OG 3.01Å; F294-F351 HydrophobicContact CD2-CD1 4.45Å; F294-F351 HydrophobicContact CD2-CE1 4.44Å; F294-F351 HydrophobicContact CE2-CB 4.34Å; F294-F351 AromaticContact CE2-CD1 3.88Å; F294-F351 HydrophobicContact CE2-CD1 3.88Å; F294-F351 AromaticContact CE2-CD2 3.84Å; F294-F351 HydrophobicContact CE2-CD2 3.84Å; F294-F351 HydrophobicContact CE2-CE1 4.09Å; F294-F351 HydrophobicContact CE2-CE2 4.06Å; F294-F351 AromaticContact CE2-CG 3.74Å; F294-F351 HydrophobicContact CE2-CG 3.74Å; F294-F351 HydrophobicContact CE2-CZ 4.16Å; F294-F351 HydrophobicContact CZ-CB 3.92Å; F294-F351 HydrophobicContact CZ-CD1 4.26Å; F294-F351 HydrophobicContact CZ-CD2 4.11Å; F294-F351 AromaticContact CZ-CG 3.83Å; F294-F351 HydrophobicContact CZ-CG 3.83Å |
| 295 | N | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.1 | 171 | -176.7 | -95.2 | 0 | 0 | 0 | 110.7 | I259 A260 E262 G297 Q337 N359 Q361 H389 | I259-N295 VanDerWaalsContact CG1-O 3.32Å; I259-N295 WeakPolarHBondContact CG1-O 3.49Å; A260-N295 PolarHBondContact O-N 3.14Å; E262-N295 PolarHBondContact OE2-ND2 3.25Å; N295-G297 PolarHBondContact O-N 3.26Å; N295-G297 PolarHBondContact OD1-N 3.17Å; N295-G297 VanDerWaalsContact OD1-N 3.09Å; N295-Q337 PolarHBondContact ND2-OE1 2.83Å; N295-N359 PolarHBondContact OD1-ND2 3.14Å; N295-Q361 VanDerWaalsContact CB-CD 3.45Å; N295-Q361 HydrophobicContact CB-CG 4.31Å; N295-Q361 VanDerWaalsContact CG-CD 3.43Å; N295-Q361 PolarHBondContact ND2-NE2 3.16Å; N295-H389 PolarHBondContact OD1-CE1 2.8Å; N295-H389 VanDerWaalsContact OD1-CE1 3.31Å; N295-H389 PolarHBondContact OD1-ND1 2.87Å |
| 296 | S | 97.7 | Very high | 98.1 | Very high | 17 Ų | 17 | 20.9 Ų | 20.9 | 12% | 0.119 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 0.7 | -173.2 | 54.6 | 0 | 0 | 0 | 0 | 115 | V298 M299 D336 | S296-V298 PolarHBondContact O-N 2.78Å; S296-M299 WeakPolarHBondContact O-CE 3.41Å; S296-D336 PolarHBondContact OG-OD1 3.31Å |
| 297 | G | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | -19.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L231 D232 N295 | L231-G297 WeakPolarHBondContact CA-O 3.45Å; D232-G297 VanDerWaalsContact CG-CA 3.48Å; D232-G297 PolarHBondContact N-O 2.74Å; D232-G297 WeakPolarHBondContact OD2-CA 2.83Å; N295-G297 PolarHBondContact O-N 3.26Å; N295-G297 PolarHBondContact OD1-N 3.17Å; N295-G297 VanDerWaalsContact OD1-N 3.09Å |
| 298 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 114.5 | 171.1 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | L231 L235 L244 S296 L354 W358 N359 I387 | L231-V298 HydrophobicContact CD2-CB 4.34Å; L231-V298 HydrophobicContact CD2-CG1 3.95Å; L231-V298 HydrophobicContact CD2-CG2 4.02Å; L235-V298 HydrophobicContact CD1-CG2 4.01Å; L235-V298 HydrophobicContact CD2-CG2 4.5Å; L244-V298 HydrophobicContact CD1-CG1 4.38Å; L244-V298 HydrophobicContact CD2-CG1 3.81Å; S296-V298 PolarHBondContact O-N 2.78Å; V298-L354 HydrophobicContact CG1-CD1 4.33Å; V298-W358 WeakPolarHBondContact CG2-O 3.46Å; V298-N359 HydrophobicContact CB-CB 4.04Å; V298-N359 HydrophobicContact CG2-CB 3.94Å; V298-I387 HydrophobicContact CG2-CD1 4.36Å |
| 299 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.5 | -178.9 | -61.3 | -177.2 | -67.9 | 0 | 0 | 111.1 | S214 V229 Q230 G258 I259 S296 L301 F340 | S214-M299 VanDerWaalsContact CB-CE 3.43Å; V229-M299 CarbonylContact C-O 3.5Å; V229-M299 VanDerWaalsContact CA-O 3.26Å; V229-M299 WeakPolarHBondContact CA-O 3.21Å; V229-M299 WeakPolarHBondContact CG1-O 3Å; Q230-M299 HydrophobicContact CB-CB 4.42Å; Q230-M299 HydrophobicContact CB-CE 4.01Å; Q230-M299 HydrophobicContact CG-CE 3.9Å; Q230-M299 PolarHBondContact N-O 3.41Å; Q230-M299 PolarHBondContact O-N 3.04Å; G258-M299 CarbonylContact O-C 3.54Å; G258-M299 WeakPolarHBondContact O-CA 3.34Å; I259-M299 HydrophobicContact CD1-CG 3.76Å; I259-M299 HydrophobicContact CD1-SD 3.95Å; I259-M299 HydrophobicContact CG1-CG 4.04Å; S296-M299 WeakPolarHBondContact O-CE 3.41Å; M299-L301 HydrophobicContact CB-CD2 4.1Å; M299-L301 HydrophobicContact CB-CG 4.47Å; M299-F340 HydrophobicContact SD-CD2 4.03Å; M299-F340 HydrophobicContact SD-CE2 3.66Å |
| 300 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 113.1 | 170.1 | -84.3 | 66.2 | 0 | 0 | 0 | 107.8 | V229 L244 E247 F248 F251 I257 G258 L354 | V229-L300 HydrophobicContact CG1-CD1 4.22Å; V229-L300 HydrophobicContact CG2-CD1 4.33Å; V229-L300 HydrophobicContact CG2-CG 4.09Å; L244-L300 HydrophobicContact CD1-CD1 3.65Å; L244-L300 HydrophobicContact CD2-CD1 4.26Å; L244-L300 HydrophobicContact CG-CD1 3.84Å; E247-L300 HydrophobicContact CB-CD2 3.61Å; F248-L300 HydrophobicContact CD1-CB 4.33Å; F248-L300 HydrophobicContact CD1-CD2 4.41Å; F248-L300 HydrophobicContact CD2-CD2 3.9Å; F248-L300 HydrophobicContact CD2-CG 4.26Å; F248-L300 HydrophobicContact CE1-CB 3.69Å; F248-L300 HydrophobicContact CE1-CD2 4.45Å; F248-L300 HydrophobicContact CE1-CG 4.3Å; F248-L300 HydrophobicContact CE2-CB 4.05Å; F248-L300 HydrophobicContact CE2-CD2 3.95Å; F248-L300 HydrophobicContact CE2-CG 3.78Å; F248-L300 HydrophobicContact CG-CD2 4.14Å; F248-L300 HydrophobicContact CZ-CB 3.53Å; F248-L300 HydrophobicContact CZ-CD2 4.24Å; F248-L300 HydrophobicContact CZ-CG 3.81Å; F251-L300 HydrophobicContact CE1-CB 4.34Å; F251-L300 HydrophobicContact CE1-CD2 4.14Å; F251-L300 HydrophobicContact CZ-CB 3.82Å; F251-L300 HydrophobicContact CZ-CD2 4.4Å; I257-L300 CarbonylContact C-O 3.27Å; I257-L300 VanDerWaalsContact CA-O 3.26Å; I257-L300 WeakPolarHBondContact CA-O 3.46Å; G258-L300 PolarHBondContact N-O 2.88Å; G258-L300 PolarHBondContact O-N 2.74Å; L300-L354 HydrophobicContact CD1-CD1 3.99Å; L300-L354 HydrophobicContact CD1-CD2 4.4Å; L300-L354 HydrophobicContact CD2-CD2 4.44Å |
| 301 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 108.8 | -177.9 | -52.4 | 178 | 0 | 0 | 0 | 108.8 | M217 R227 I228 Q230 I257 M299 L303 M306 | M217-L301 HydrophobicContact CB-CD1 3.87Å; M217-L301 HydrophobicContact CE-CD1 3.91Å; M217-L301 HydrophobicContact CG-CD1 3.93Å; R227-L301 WeakPolarHBondContact CA-O 3.45Å; I228-L301 HydrophobicContact CG2-CB 3.92Å; I228-L301 HydrophobicContact CG2-CD1 4.2Å; I228-L301 HydrophobicContact CG2-CG 4.49Å; I228-L301 PolarHBondContact N-O 2.89Å; I228-L301 PolarHBondContact O-N 2.95Å; Q230-L301 HydrophobicContact CB-CD1 4.38Å; I257-L301 HydrophobicContact CD1-CD2 4.29Å; I257-L301 HydrophobicContact CG1-CD2 3.85Å; I257-L301 HydrophobicContact CG2-CD2 4.13Å; M299-L301 HydrophobicContact CB-CD2 4.1Å; M299-L301 HydrophobicContact CB-CG 4.47Å; L301-L303 HydrophobicContact CB-CD2 3.8Å; L301-L303 PolarHBondContact O-N 2.9Å; L301-M306 HydrophobicContact CB-SD 4.08Å |
| 302 | D | 98.8 | Very high | 98.5 | Very high | 34 Ų | 34 | 21.7 Ų | 21.7 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 88.2 | 171.8 | -171.6 | -31.7 | 0 | 0 | 0 | 107.9 | Q226 F248 F251 V256 G304 A305 M306 | Q226-D302 CarbonylContact O-C 3.46Å; F248-D302 HydrophobicContact CD1-CB 4.2Å; F248-D302 HydrophobicContact CE1-CB 4.03Å; F251-D302 HydrophobicContact CD2-CB 4.4Å; F251-D302 HydrophobicContact CE2-CB 4.04Å; V256-D302 WeakPolarHBondContact O-CB 3.21Å; V256-D302 PolarHBondContact O-N 3.3Å; D302-G304 PolarHBondContact O-N 3.23Å; D302-G304 PolarHBondContact OD1-N 3.44Å; D302-A305 HydrophobicContact CB-CB 3.89Å; D302-A305 PolarHBondContact O-N 2.9Å; D302-A305 VanDerWaalsContact O-N 3.15Å; D302-A305 PolarHBondContact OD1-N 3.38Å; D302-M306 WeakPolarHBondContact O-CB 3.47Å; D302-M306 WeakPolarHBondContact O-CG 3.21Å; D302-M306 PolarHBondContact O-N 3.49Å |
| 303 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -33.2 | -176.1 | -50.7 | -173.4 | 0 | 0 | 0 | 111.6 | M217 H218 M221 L225 Q226 I228 L301 M306 R307 | M217-L303 HydrophobicContact CB-CD2 3.84Å; M217-L303 HydrophobicContact CG-CD1 4.35Å; M217-L303 HydrophobicContact CG-CD2 3.69Å; H218-L303 HydrophobicContact CB-CB 4.11Å; H218-L303 HydrophobicContact CB-CD2 4.1Å; M221-L303 HydrophobicContact CB-CD1 3.79Å; M221-L303 HydrophobicContact CG-CD1 4.13Å; L225-L303 HydrophobicContact CD2-CD1 3.87Å; L225-L303 HydrophobicContact CG-CD1 4.02Å; Q226-L303 WeakPolarHBondContact O-CA 3.44Å; Q226-L303 WeakPolarHBondContact O-CB 3.4Å; Q226-L303 PolarHBondContact O-N 2.87Å; I228-L303 HydrophobicContact CG2-CD1 3.94Å; I228-L303 HydrophobicContact CG2-CD2 3.95Å; I228-L303 HydrophobicContact CG2-CG 4.05Å; L301-L303 HydrophobicContact CB-CD2 3.8Å; L301-L303 PolarHBondContact O-N 2.9Å; L303-M306 HydrophobicContact CD2-SD 3.89Å; L303-R307 WeakPolarHBondContact O-CB 3.22Å; L303-R307 WeakPolarHBondContact O-CD 3.42Å; L303-R307 WeakPolarHBondContact O-CG 3.35Å; L303-R307 PolarHBondContact O-N 2.76Å |
| 304 | G | 98.4 | Very high | 98.4 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 12% | 0.124 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q226 D302 R307 T308 | Q226-G304 PolarHBondContact O-N 3.01Å; Q226-G304 VanDerWaalsContact O-N 3.16Å; D302-G304 PolarHBondContact O-N 3.23Å; D302-G304 PolarHBondContact OD1-N 3.44Å; G304-R307 PolarHBondContact O-N 3.45Å; G304-T308 WeakPolarHBondContact O-CG2 3.48Å; G304-T308 PolarHBondContact O-N 2.75Å; G304-T308 PolarHBondContact O-OG1 3.28Å |
| 305 | A | 98.6 | Very high | 98.3 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 18% | 0.182 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.4 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V256 D302 R307 T308 S309 | V256-A305 HydrophobicContact CB-CB 4.32Å; V256-A305 HydrophobicContact CG1-CB 3.88Å; D302-A305 HydrophobicContact CB-CB 3.89Å; D302-A305 PolarHBondContact O-N 2.9Å; D302-A305 VanDerWaalsContact O-N 3.15Å; D302-A305 PolarHBondContact OD1-N 3.38Å; A305-R307 PolarHBondContact O-N 2.81Å; A305-T308 PolarHBondContact O-N 2.7Å; A305-T308 PolarHBondContact O-OG1 3.31Å; A305-S309 WeakPolarHBondContact O-CB 3.26Å; A305-S309 PolarHBondContact O-N 2.57Å |
| 306 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.6 | -44 | 175.7 | -68.2 | 169.1 | 79.7 | 0 | 0 | 111.8 | H218 V256 I257 L301 D302 L303 T308 Y312 N313 | H218-M306 HydrophobicContact CB-CB 3.76Å; H218-M306 HydrophobicContact CB-CE 4.46Å; H218-M306 HydrophobicContact CB-SD 4.37Å; V256-M306 HydrophobicContact CB-CG 3.79Å; V256-M306 HydrophobicContact CG2-CG 4.26Å; I257-M306 HydrophobicContact CD1-CE 4.37Å; I257-M306 HydrophobicContact CG1-SD 4.35Å; L301-M306 HydrophobicContact CB-SD 4.08Å; D302-M306 WeakPolarHBondContact O-CB 3.47Å; D302-M306 WeakPolarHBondContact O-CG 3.21Å; D302-M306 PolarHBondContact O-N 3.49Å; L303-M306 HydrophobicContact CD2-SD 3.89Å; M306-T308 VanDerWaalsContact C-N 3.32Å; M306-T308 PolarHBondContact O-N 3.16Å; M306-Y312 HydrophobicContact CB-CD1 4.17Å; M306-Y312 HydrophobicContact CB-CE1 4.26Å; M306-Y312 HydrophobicContact CE-CE1 3.52Å; M306-Y312 WeakPolarHBondContact CE-OH 3.2Å; M306-Y312 HydrophobicContact CG-CD1 4.36Å; M306-Y312 HydrophobicContact CG-CE1 4.23Å; M306-N313 PolarHBondContact O-ND2 2.9Å |
| 307 | R | 98.3 | Very high | 98 | Very high | 64 Ų | 64 | 31.8 Ų | 31.8 | 24% | 0.242 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -37.9 | 177.1 | -74.3 | 165 | -166.7 | 139.2 | -4.2 | 112.9 | H218 M221 P222 A223 L225 L303 G304 A305 N313 | H218-R307 HydrophobicContact CB-CG 3.97Å; H218-R307 PolarHBondContact O-NE 2.95Å; M221-R307 PolarHBondContact O-NH2 3.26Å; P222-R307 PolarHBondContact O-NH2 3.34Å; A223-R307 PolarHBondContact O-NH1 3.35Å; L225-R307 PolarHBondContact O-NH1 2.93Å; L225-R307 PolarHBondContact O-NH2 2.74Å; L303-R307 WeakPolarHBondContact O-CB 3.22Å; L303-R307 WeakPolarHBondContact O-CD 3.42Å; L303-R307 WeakPolarHBondContact O-CG 3.35Å; L303-R307 PolarHBondContact O-N 2.76Å; G304-R307 PolarHBondContact O-N 3.45Å; A305-R307 PolarHBondContact O-N 2.81Å; R307-N313 PolarHBondContact O-ND2 3.42Å |
| 308 | T | 98.1 | Very high | 97.6 | Very high | 117 Ų | 117 | 35.5 Ų | 35.5 | 72% | 0.718 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -94.4 | -16.9 | -172.3 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | G304 A305 M306 A310 | G304-T308 WeakPolarHBondContact O-CG2 3.48Å; G304-T308 PolarHBondContact O-N 2.75Å; G304-T308 PolarHBondContact O-OG1 3.28Å; A305-T308 PolarHBondContact O-N 2.7Å; A305-T308 PolarHBondContact O-OG1 3.31Å; M306-T308 VanDerWaalsContact C-N 3.32Å; M306-T308 PolarHBondContact O-N 3.16Å; T308-A310 PolarHBondContact O-N 3.1Å; T308-A310 VanDerWaalsContact O-N 3.13Å |
| 309 | S | 98.6 | Very high | 97.4 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | trans | -73.3 | 102.7 | 179.1 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | A305 L311 Y312 N313 | A305-S309 WeakPolarHBondContact O-CB 3.26Å; A305-S309 PolarHBondContact O-N 2.57Å; S309-L311 PolarHBondContact O-N 3.43Å; S309-Y312 PolarHBondContact O-N 3.34Å; S309-Y312 WeakPolarHBondContact OG-CB 3.36Å; S309-Y312 PolarHBondContact OG-N 3.44Å; S309-Y312 VanDerWaalsContact OG-N 3.16Å; S309-N313 PolarHBondContact O-N 3.13Å; S309-N313 VanDerWaalsContact O-N 3.1Å; S309-N313 PolarHBondContact O-ND2 2.78Å | ||
| 310 | A | 98.3 | Very high | 97.2 | Very high | 67 Ų | 67 | 46.6 Ų | 46.6 | 55% | 0.554 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -56.6 | -39.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T308 Q314 | T308-A310 PolarHBondContact O-N 3.1Å; T308-A310 VanDerWaalsContact O-N 3.13Å; A310-Q314 WeakPolarHBondContact O-CB 3.26Å; A310-Q314 VanDerWaalsContact O-CG 3.28Å; A310-Q314 WeakPolarHBondContact O-CG 3.04Å; A310-Q314 PolarHBondContact O-N 3.4Å |
| 311 | L | 98.4 | Very high | 96.9 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -49 | 178.3 | 176.7 | 59.8 | 0 | 0 | 0 | 111.5 | S309 N313 Q314 L315 H347 L350 | S309-L311 PolarHBondContact O-N 3.43Å; L311-N313 VanDerWaalsContact C-N 3.35Å; L311-N313 PolarHBondContact O-N 2.62Å; L311-Q314 PolarHBondContact O-N 2.85Å; L311-L315 HydrophobicContact CD1-CD1 4.34Å; L311-L315 HydrophobicContact CG-CD1 4.3Å; L311-L315 WeakPolarHBondContact O-CG 3.44Å; L311-L315 PolarHBondContact O-N 3.18Å; L311-H347 HydrophobicContact CD2-CB 4.41Å; L311-L350 HydrophobicContact CD2-CD1 4.27Å; L311-L350 HydrophobicContact CD2-CD2 4.06Å; L311-L350 HydrophobicContact CD2-CG 4.18Å; L311-L350 HydrophobicContact CG-CD1 4.3Å; L311-L350 HydrophobicContact CG-CD2 4.31Å |
| 312 | Y | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | -179.6 | -174.9 | -104.3 | 0 | 0 | 0 | 111.4 | V215 H218 V256 I257 M306 S309 Q314 L315 L316 F340 I343 L350 | V215-Y312 PolarHBondContact O-OH 3.45Å; H218-Y312 AromaticContact CE1-CE1 3.73Å; V256-Y312 HydrophobicContact CG2-CD2 3.83Å; V256-Y312 HydrophobicContact CG2-CE2 4.34Å; V256-Y312 HydrophobicContact CG2-CG 4.11Å; I257-Y312 HydrophobicContact CD1-CE2 3.98Å; M306-Y312 HydrophobicContact CB-CD1 4.17Å; M306-Y312 HydrophobicContact CB-CE1 4.26Å; M306-Y312 HydrophobicContact CE-CE1 3.52Å; M306-Y312 WeakPolarHBondContact CE-OH 3.2Å; M306-Y312 HydrophobicContact CG-CD1 4.36Å; M306-Y312 HydrophobicContact CG-CE1 4.23Å; S309-Y312 PolarHBondContact O-N 3.34Å; S309-Y312 WeakPolarHBondContact OG-CB 3.36Å; S309-Y312 PolarHBondContact OG-N 3.44Å; S309-Y312 VanDerWaalsContact OG-N 3.16Å; Y312-Q314 PolarHBondContact O-N 2.87Å; Y312-L315 WeakPolarHBondContact O-CB 3.36Å; Y312-L315 PolarHBondContact O-N 3.45Å; Y312-L315 VanDerWaalsContact O-N 3.12Å; Y312-L316 HydrophobicContact CD1-CD1 4.44Å; Y312-L316 HydrophobicContact CE1-CD1 4.09Å; Y312-L316 HydrophobicContact CE1-CD2 4.35Å; Y312-L316 HydrophobicContact CE1-CG 4.46Å; Y312-L316 PolarHBondContact O-N 3.12Å; Y312-F340 HydrophobicContact CE2-CE1 4.4Å; Y312-F340 WeakPolarHBondContact OH-CE1 3.34Å; Y312-I343 HydrophobicContact CD2-CD1 4.35Å; Y312-I343 HydrophobicContact CE2-CD1 4.09Å; Y312-L350 HydrophobicContact CD2-CD1 4.4Å |
| 313 | N | 97.9 | Very high | 96.4 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 22% | 0.219 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -34.4 | -179.6 | -69.1 | -70.1 | 0 | 0 | 0 | 112.8 | H218 M306 R307 S309 L311 L315 L316 | H218-N313 PolarHBondContact NE2-OD1 2.86Å; H218-N313 VanDerWaalsContact NE2-OD1 3.12Å; M306-N313 PolarHBondContact O-ND2 2.9Å; R307-N313 PolarHBondContact O-ND2 3.42Å; S309-N313 PolarHBondContact O-N 3.13Å; S309-N313 VanDerWaalsContact O-N 3.1Å; S309-N313 PolarHBondContact O-ND2 2.78Å; L311-N313 VanDerWaalsContact C-N 3.35Å; L311-N313 PolarHBondContact O-N 2.62Å; N313-L315 VanDerWaalsContact C-N 3.28Å; N313-L315 PolarHBondContact O-N 2.9Å; N313-L316 WeakPolarHBondContact O-CB 3.19Å; N313-L316 PolarHBondContact O-N 3.12Å |
| 314 | Q | 97.1 | Very high | 96.3 | Very high | 102 Ų | 102 | 51.7 Ų | 51.7 | 48% | 0.477 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 171.8 | -77.3 | 173 | 3.8 | 0 | 0 | 111.8 | A310 L311 Y312 L316 E317 N320 | A310-Q314 WeakPolarHBondContact O-CB 3.26Å; A310-Q314 VanDerWaalsContact O-CG 3.28Å; A310-Q314 WeakPolarHBondContact O-CG 3.04Å; A310-Q314 PolarHBondContact O-N 3.4Å; L311-Q314 PolarHBondContact O-N 2.85Å; Y312-Q314 PolarHBondContact O-N 2.87Å; Q314-L316 PolarHBondContact O-N 3.24Å; Q314-E317 VanDerWaalsContact O-CB 3.3Å; Q314-E317 WeakPolarHBondContact O-CB 3.15Å; Q314-E317 WeakPolarHBondContact O-CG 3.5Å; Q314-E317 PolarHBondContact O-N 3.44Å; Q314-N320 WeakPolarHBondContact O-CB 3.35Å; Q314-N320 PolarHBondContact O-ND2 3.39Å |
| 315 | L | 96.2 | Very high | 96.1 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.7 | -17 | 179.2 | -67.4 | 165.9 | 0 | 0 | 0 | 113.6 | L311 Y312 N313 E317 V321 L324 I343 L350 | L311-L315 HydrophobicContact CD1-CD1 4.34Å; L311-L315 HydrophobicContact CG-CD1 4.3Å; L311-L315 WeakPolarHBondContact O-CG 3.44Å; L311-L315 PolarHBondContact O-N 3.18Å; Y312-L315 WeakPolarHBondContact O-CB 3.36Å; Y312-L315 PolarHBondContact O-N 3.45Å; Y312-L315 VanDerWaalsContact O-N 3.12Å; N313-L315 VanDerWaalsContact C-N 3.28Å; N313-L315 PolarHBondContact O-N 2.9Å; L315-E317 VanDerWaalsContact C-N 3.32Å; L315-V321 WeakPolarHBondContact O-CG2 3.43Å; L315-L324 HydrophobicContact CD2-CD1 3.59Å; L315-I343 HydrophobicContact CB-CG2 4.44Å; L315-I343 HydrophobicContact CD1-CB 4.28Å; L315-I343 HydrophobicContact CD1-CD1 4.17Å; L315-I343 HydrophobicContact CD1-CG2 4.49Å; L315-I343 HydrophobicContact CD2-CG2 4.38Å; L315-L350 HydrophobicContact CD1-CD1 3.44Å; L315-L350 VanDerWaalsContact CD1-CD1 3.44Å |
| 316 | L | 94.6 | Very high | 96 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17.4 | 172.9 | -56.1 | 179.9 | 0 | 0 | 0 | 112.4 | M194 V215 Y312 N313 Q314 F339 | M194-L316 HydrophobicContact CE-CD2 4.3Å; V215-L316 HydrophobicContact CG1-CD2 3.38Å; Y312-L316 HydrophobicContact CD1-CD1 4.44Å; Y312-L316 HydrophobicContact CE1-CD1 4.09Å; Y312-L316 HydrophobicContact CE1-CD2 4.35Å; Y312-L316 HydrophobicContact CE1-CG 4.46Å; Y312-L316 PolarHBondContact O-N 3.12Å; N313-L316 WeakPolarHBondContact O-CB 3.19Å; N313-L316 PolarHBondContact O-N 3.12Å; Q314-L316 PolarHBondContact O-N 3.24Å; L316-F339 HydrophobicContact CD2-CE1 4.08Å; L316-F339 HydrophobicContact CD2-CZ 3.77Å |
| 317 | E | 94.4 | Very high | 95.9 | Very high | 98 Ų | 98 | 58.6 Ų | 58.6 | 46% | 0.458 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -66.4 | 134.3 | -178.4 | -63.8 | 177.3 | 179.7 | 0 | 0 | 111.2 | Q314 L315 R319 N320 V321 | Q314-E317 VanDerWaalsContact O-CB 3.3Å; Q314-E317 WeakPolarHBondContact O-CB 3.15Å; Q314-E317 WeakPolarHBondContact O-CG 3.5Å; Q314-E317 PolarHBondContact O-N 3.44Å; L315-E317 VanDerWaalsContact C-N 3.32Å; E317-R319 PolarHBondContact O-N 3.02Å; E317-N320 PolarHBondContact O-N 2.96Å; E317-N320 PolarHBondContact OE2-ND2 3.16Å; E317-N320 VanDerWaalsContact OE2-ND2 3.17Å; E317-V321 PolarHBondContact O-N 2.86Å; E317-V321 VanDerWaalsContact O-N 3.1Å |
| 318 | P | 91.1 | Very high | 95.8 | Very high | 77 Ų | 77 | 55.9 Ų | 55.9 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -48.8 | -38.6 | -176 | -33.7 | 36.8 | 0 | 0 | 0 | 115.2 | A193 A322 | A193-P318 HydrophobicContact CB-CB 3.45Å; A193-P318 VanDerWaalsContact CB-CB 3.45Å; A193-P318 HydrophobicContact CB-CG 3.58Å; P318-A322 WeakPolarHBondContact O-CB 3.43Å; P318-A322 PolarHBondContact O-N 3.3Å; P318-A322 VanDerWaalsContact O-N 3.1Å |
| 319 | R | 94.1 | Very high | 95.6 | Very high | 196 Ų | 196 | 53.5 Ų | 53.5 | 74% | 0.74 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.2 | -44.1 | -179.4 | -178.7 | -179.1 | 174.5 | -177.8 | -1.6 | 111.7 | E317 A322 Q323 | E317-R319 PolarHBondContact O-N 3.02Å; R319-A322 PolarHBondContact O-N 3.1Å; R319-Q323 WeakPolarHBondContact O-CB 3.45Å; R319-Q323 PolarHBondContact O-N 3.47Å |
| 320 | N | 95 | Very high | 95.4 | Very high | 38 Ų | 38 | 52.5 Ų | 52.5 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.9 | -39.1 | -176.5 | -62.6 | -32.3 | 0 | 0 | 0 | 110.4 | Q314 E317 A322 Q323 L324 | Q314-N320 WeakPolarHBondContact O-CB 3.35Å; Q314-N320 PolarHBondContact O-ND2 3.39Å; E317-N320 PolarHBondContact O-N 2.96Å; E317-N320 PolarHBondContact OE2-ND2 3.16Å; E317-N320 VanDerWaalsContact OE2-ND2 3.17Å; N320-A322 PolarHBondContact O-N 3.34Å; N320-Q323 PolarHBondContact O-N 3.47Å; N320-L324 WeakPolarHBondContact O-CG 3.49Å; N320-L324 PolarHBondContact O-N 3.28Å |
| 321 | V | 91.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.2 | -50.3 | 170.9 | 178.3 | 0 | 0 | 0 | 0 | 111 | M194 F198 L315 E317 Q323 L324 A325 F339 | M194-V321 HydrophobicContact CB-CG1 3.88Å; F198-V321 HydrophobicContact CE2-CG1 3.77Å; F198-V321 HydrophobicContact CZ-CG1 4.12Å; L315-V321 WeakPolarHBondContact O-CG2 3.43Å; E317-V321 PolarHBondContact O-N 2.86Å; E317-V321 VanDerWaalsContact O-N 3.1Å; V321-Q323 PolarHBondContact O-N 2.91Å; V321-L324 PolarHBondContact O-N 3.23Å; V321-A325 WeakPolarHBondContact O-CB 3.35Å; V321-A325 PolarHBondContact O-N 2.93Å; V321-F339 HydrophobicContact CG2-CE2 4.14Å |
| 322 | A | 92 | Very high | 94.2 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P318 R319 N320 L324 A325 D326 | P318-A322 WeakPolarHBondContact O-CB 3.43Å; P318-A322 PolarHBondContact O-N 3.3Å; P318-A322 VanDerWaalsContact O-N 3.1Å; R319-A322 PolarHBondContact O-N 3.1Å; N320-A322 PolarHBondContact O-N 3.34Å; A322-L324 PolarHBondContact O-N 3.33Å; A322-A325 PolarHBondContact O-N 3.35Å; A322-D326 WeakPolarHBondContact O-CB 3.27Å; A322-D326 VanDerWaalsContact O-CG 3.28Å; A322-D326 PolarHBondContact O-N 2.89Å |
| 323 | Q | 95.8 | Very high | 93.4 | Very high | 107 Ų | 107 | 55.5 Ų | 55.5 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 178.3 | -179.6 | 177 | -22.8 | 0 | 0 | 112 | R319 N320 V321 Q327 | R319-Q323 WeakPolarHBondContact O-CB 3.45Å; R319-Q323 PolarHBondContact O-N 3.47Å; N320-Q323 PolarHBondContact O-N 3.47Å; V321-Q323 PolarHBondContact O-N 2.91Å; Q323-Q327 VanDerWaalsContact O-CB 3.31Å; Q323-Q327 WeakPolarHBondContact O-CB 3.49Å; Q323-Q327 PolarHBondContact O-N 3.38Å |
| 324 | L | 96.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.3 | -43 | 177.4 | -69 | 177.9 | 0 | 0 | 0 | 111.7 | L315 N320 V321 A322 D326 Q327 Y328 M342 I343 E346 | L315-L324 HydrophobicContact CD2-CD1 3.59Å; N320-L324 WeakPolarHBondContact O-CG 3.49Å; N320-L324 PolarHBondContact O-N 3.28Å; V321-L324 PolarHBondContact O-N 3.23Å; A322-L324 PolarHBondContact O-N 3.33Å; L324-D326 VanDerWaalsContact C-N 3.27Å; L324-D326 PolarHBondContact O-N 3.11Å; L324-Q327 PolarHBondContact O-N 3.37Å; L324-Y328 HydrophobicContact CD2-CE2 4.19Å; L324-Y328 WeakPolarHBondContact O-CB 3.46Å; L324-Y328 VanDerWaalsContact O-CD2 3.27Å; L324-Y328 WeakPolarHBondContact O-CD2 3.41Å; L324-Y328 PolarHBondContact O-N 3.02Å; L324-M342 HydrophobicContact CB-CE 3.59Å; L324-M342 HydrophobicContact CB-CG 4.45Å; L324-M342 HydrophobicContact CB-SD 3.98Å; L324-M342 HydrophobicContact CD1-CE 4.31Å; L324-I343 HydrophobicContact CD1-CG2 3.96Å; L324-E346 HydrophobicContact CD2-CB 4.14Å; L324-E346 HydrophobicContact CD2-CG 3.87Å |
| 325 | A | 94.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H197 V321 A322 H329 F330 M342 | H197-A325 HydrophobicContact CB-CB 4.22Å; H197-A325 VanDerWaalsContact ND1-CB 3.29Å; H197-A325 WeakPolarHBondContact ND1-CB 3.35Å; V321-A325 WeakPolarHBondContact O-CB 3.35Å; V321-A325 PolarHBondContact O-N 2.93Å; A322-A325 PolarHBondContact O-N 3.35Å; A325-H329 CarbonylContact O-C 3.59Å; A325-H329 WeakPolarHBondContact O-CA 3.42Å; A325-H329 PolarHBondContact O-N 3.2Å; A325-H329 VanDerWaalsContact O-N 3.13Å; A325-F330 PolarHBondContact O-N 2.8Å; A325-M342 VanDerWaalsContact CA-SD 3.54Å; A325-M342 HydrophobicContact CB-SD 3.97Å; A325-M342 PolarHBondContact N-SD 3.23Å |
| 326 | D | 95.4 | Very high | 92.2 | Very high | 99 Ų | 99 | 50.6 Ų | 50.6 | 53% | 0.529 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.4 | -44.5 | 175.5 | -70 | -16.5 | 0 | 0 | 0 | 111.6 | A322 L324 Y328 H329 | A322-D326 WeakPolarHBondContact O-CB 3.27Å; A322-D326 VanDerWaalsContact O-CG 3.28Å; A322-D326 PolarHBondContact O-N 2.89Å; L324-D326 VanDerWaalsContact C-N 3.27Å; L324-D326 PolarHBondContact O-N 3.11Å; D326-Y328 VanDerWaalsContact C-N 3.26Å; D326-Y328 PolarHBondContact O-N 3.42Å; D326-H329 PolarHBondContact O-N 3.45Å |
| 327 | Q | 96.7 | Very high | 92.3 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.9 | -41.8 | 176.8 | 176.1 | 178.5 | -52.4 | 0 | 0 | 112.1 | Y274 Q323 L324 E346 | Y274-Q327 WeakPolarHBondContact CD2-O 3.48Å; Q323-Q327 VanDerWaalsContact O-CB 3.31Å; Q323-Q327 WeakPolarHBondContact O-CB 3.49Å; Q323-Q327 PolarHBondContact O-N 3.38Å; L324-Q327 PolarHBondContact O-N 3.37Å; Q327-E346 PolarHBondContact NE2-OE2 3.44Å |
| 328 | Y | 97.2 | Very high | 92.3 | Very high | 8 Ų | 8 | 46 Ų | 46 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 2.8 | -176.6 | -74.2 | -70.5 | 0 | 0 | 0 | 114.1 | F271 Y274 V283 L324 D326 F330 M342 M345 E346 | F271-Y328 AromaticContact CD1-CD1 3.98Å; F271-Y328 HydrophobicContact CD1-CD1 3.98Å; F271-Y328 HydrophobicContact CD1-CG 4.24Å; F271-Y328 AromaticContact CE1-CD1 3.76Å; F271-Y328 HydrophobicContact CE1-CD1 3.76Å; F271-Y328 AromaticContact CE1-CG 3.77Å; F271-Y328 HydrophobicContact CE1-CG 3.77Å; Y274-Y328 WeakPolarHBondContact CB-O 3.46Å; Y274-Y328 HydrophobicContact CD1-CD1 4.01Å; Y274-Y328 HydrophobicContact CD1-CE1 4.38Å; Y274-Y328 AromaticContact CD2-CD1 3.74Å; Y274-Y328 HydrophobicContact CD2-CD1 3.74Å; Y274-Y328 HydrophobicContact CD2-CE1 4.3Å; Y274-Y328 AromaticContact CE1-CD1 3.98Å; Y274-Y328 HydrophobicContact CE1-CD1 3.98Å; Y274-Y328 AromaticContact CE1-CE1 3.89Å; Y274-Y328 HydrophobicContact CE1-CE1 3.89Å; Y274-Y328 AromaticContact CE2-CD1 3.69Å; Y274-Y328 HydrophobicContact CE2-CD1 3.69Å; Y274-Y328 AromaticContact CE2-CE1 3.78Å; Y274-Y328 HydrophobicContact CE2-CE1 3.78Å; Y274-Y328 AromaticContact CG-CD1 3.89Å; Y274-Y328 HydrophobicContact CG-CD1 3.89Å; Y274-Y328 AromaticContact CZ-CD1 3.83Å; Y274-Y328 AromaticContact CZ-CE1 3.56Å; V283-Y328 HydrophobicContact CG2-CE1 4.08Å; L324-Y328 HydrophobicContact CD2-CE2 4.19Å; L324-Y328 WeakPolarHBondContact O-CB 3.46Å; L324-Y328 VanDerWaalsContact O-CD2 3.27Å; L324-Y328 WeakPolarHBondContact O-CD2 3.41Å; L324-Y328 PolarHBondContact O-N 3.02Å; D326-Y328 VanDerWaalsContact C-N 3.26Å; D326-Y328 PolarHBondContact O-N 3.42Å; Y328-F330 PolarHBondContact O-N 2.87Å; Y328-F330 VanDerWaalsContact O-N 3.16Å; Y328-M342 HydrophobicContact CD2-CG 4.16Å; Y328-M345 HydrophobicContact CE1-CB 3.92Å; Y328-M345 HydrophobicContact CE2-CB 4.4Å; Y328-E346 HydrophobicContact CE2-CB 4.38Å; Y328-E346 PolarHBondContact OH-OE2 3.4Å |
| 329 | H | 94.7 | Very high | 92.6 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 31% | 0.31 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 37.5 | -170.6 | -57.5 | -72.5 | 0 | 0 | 0 | 112.5 | Q273 E277 A325 D326 | Q273-H329 HydrophobicContact CB-CB 4.04Å; Q273-H329 HydrophobicContact CG-CB 4.22Å; Q273-H329 PolarHBondContact NE2-CE1 2.82Å; Q273-H329 PolarHBondContact NE2-ND1 3.14Å; E277-H329 IonicContact OE1-NE2 3.46Å; E277-H329 PolarHBondContact OE1-NE2 3.05Å; E277-H329 IonicContact OE2-CD2 3.5Å; E277-H329 PolarHBondContact OE2-CD2 3.31Å; E277-H329 IonicContact OE2-CE1 3.9Å; E277-H329 IonicContact OE2-NE2 2.8Å; E277-H329 PolarHBondContact OE2-NE2 3.28Å; A325-H329 CarbonylContact O-C 3.59Å; A325-H329 WeakPolarHBondContact O-CA 3.42Å; A325-H329 PolarHBondContact O-N 3.2Å; A325-H329 VanDerWaalsContact O-N 3.13Å; D326-H329 PolarHBondContact O-N 3.45Å |
| 330 | F | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -87.7 | 130 | -166 | -168.7 | -79.8 | 0 | 0 | 0 | 111.5 | F198 Y267 T270 F271 A325 Y328 D338 M342 | F198-F330 AromaticContact CD1-CD1 3.84Å; F198-F330 HydrophobicContact CD1-CD1 3.84Å; F198-F330 AromaticContact CD1-CE1 3.64Å; F198-F330 HydrophobicContact CD1-CE1 3.64Å; F198-F330 AromaticContact CE1-CD1 3.59Å; F198-F330 HydrophobicContact CE1-CD1 3.59Å; F198-F330 AromaticContact CE1-CE1 3.76Å; F198-F330 HydrophobicContact CE1-CE1 3.76Å; Y267-F330 AromaticContact CD1-CE2 3.97Å; Y267-F330 HydrophobicContact CD1-CE2 3.97Å; Y267-F330 HydrophobicContact CD1-CZ 4.27Å; Y267-F330 HydrophobicContact CE1-CE2 4.04Å; Y267-F330 AromaticContact CE1-CZ 3.89Å; Y267-F330 HydrophobicContact CE1-CZ 3.89Å; T270-F330 HydrophobicContact CG2-CD2 3.73Å; T270-F330 HydrophobicContact CG2-CE1 4.17Å; T270-F330 HydrophobicContact CG2-CE2 3.38Å; T270-F330 HydrophobicContact CG2-CG 4.33Å; T270-F330 HydrophobicContact CG2-CZ 3.64Å; F271-F330 AromaticContact CD1-CD2 3.88Å; F271-F330 HydrophobicContact CD1-CD2 3.88Å; F271-F330 HydrophobicContact CD2-CD2 4.2Å; F271-F330 HydrophobicContact CD2-CE2 4.12Å; F271-F330 AromaticContact CE1-CD2 3.38Å; F271-F330 HydrophobicContact CE1-CD2 3.38Å; F271-F330 HydrophobicContact CE1-CE2 4.01Å; F271-F330 HydrophobicContact CE1-CG 4.36Å; F271-F330 AromaticContact CE2-CD2 3.71Å; F271-F330 HydrophobicContact CE2-CD2 3.71Å; F271-F330 AromaticContact CE2-CE2 3.46Å; F271-F330 HydrophobicContact CE2-CE2 3.46Å; F271-F330 VanDerWaalsContact CE2-CE2 3.46Å; F271-F330 HydrophobicContact CG-CD2 4.28Å; F271-F330 AromaticContact CZ-CD2 3.27Å; F271-F330 HydrophobicContact CZ-CD2 3.27Å; F271-F330 AromaticContact CZ-CE2 3.4Å; F271-F330 HydrophobicContact CZ-CE2 3.4Å; F271-F330 HydrophobicContact CZ-CG 4.46Å; A325-F330 PolarHBondContact O-N 2.8Å; Y328-F330 PolarHBondContact O-N 2.87Å; Y328-F330 VanDerWaalsContact O-N 3.16Å; F330-D338 HydrophobicContact CE1-CB 3.73Å; F330-D338 HydrophobicContact CZ-CB 3.78Å; F330-M342 HydrophobicContact CB-SD 4.26Å; F330-M342 HydrophobicContact CG-SD 4.46Å | ||
| 331 | R | 87.1 | Confident | 93 | Very high | 146 Ų | 146 | 31.2 Ų | 31.2 | 55% | 0.551 | 15% | 0.151 | S | C | * | . | trans | -137.3 | 119.3 | 168.8 | -66.6 | -66 | 176.1 | -179 | -8.4 | 109.7 | K196 H197 T270 | K196-R331 PolarHBondContact O-NH1 3.43Å; H197-R331 PolarHBondContact ND1-NH1 2.87Å; T270-R331 WeakPolarHBondContact CG2-O 3.49Å | ||
| 332 | G | 83.8 | Confident | 93.2 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | trans | -113.2 | 175.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H197 F198 D338 | H197-G332 PolarHBondContact O-N 3.07Å; F198-G332 CarbonylContact C-O 3.45Å; F198-G332 CarbonylContact O-C 3.33Å; G332-D338 VanDerWaalsContact C-OD2 3.26Å; G332-D338 WeakPolarHBondContact CA-OD2 3.32Å | ||
| 333 | H | 81.8 | Confident | 93.5 | Very high | 41 Ų | 41 | 30.1 Ų | 30.1 | 19% | 0.19 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -148.3 | 10 | 170.4 | 64.6 | -73.3 | 0 | 0 | 0 | 113.5 | Q56 F198 A200 Y206 D338 | Q56-H333 PolarHBondContact NE2-NE2 3.44Å; F198-H333 CarbonylContact O-C 3.5Å; F198-H333 WeakPolarHBondContact O-CA 3.49Å; F198-H333 PolarHBondContact O-N 3.22Å; A200-H333 HydrophobicContact CB-CB 3.72Å; Y206-H333 VanDerWaalsContact CB-O 3.32Å; Y206-H333 WeakPolarHBondContact CB-O 3.5Å; Y206-H333 WeakPolarHBondContact CD2-O 3.46Å; H333-D338 PolarHBondContact N-OD2 2.81Å |
| 334 | L | 85.1 | Confident | 93.6 | Very high | 34 Ų | 34 | 25.2 Ų | 25.2 | 18% | 0.178 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -110.1 | 19.6 | -174 | -54.9 | 176.4 | 0 | 0 | 0 | 112.1 | F198 Y206 D336 Q337 D338 | F198-L334 PolarHBondContact O-N 2.87Å; Y206-L334 HydrophobicContact CE2-CD2 4.34Å; L334-D336 PolarHBondContact O-N 2.83Å; L334-Q337 HydrophobicContact CB-CB 4.13Å; L334-Q337 WeakPolarHBondContact O-CB 3.13Å; L334-Q337 PolarHBondContact O-N 2.79Å; L334-D338 PolarHBondContact N-OD2 3.19Å |
| 335 | G | 89.2 | Confident | 93.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | -124.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F198 Q337 D338 F339 | F198-G335 PolarHBondContact O-N 2.87Å; G335-Q337 VanDerWaalsContact C-N 3.3Å; G335-Q337 PolarHBondContact O-N 3.46Å; G335-D338 PolarHBondContact O-N 3.48Å; G335-F339 PolarHBondContact O-N 2.85Å |
| 336 | D | 92.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 28.6 Ų | 28.6 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.5 | -40.5 | 178.4 | 58.3 | 2.2 | 0 | 0 | 0 | 114.3 | F211 S214 V215 S296 L334 D338 F339 F340 | F211-D336 WeakPolarHBondContact O-CB 3.12Å; F211-D336 PolarHBondContact O-N 3.47Å; S214-D336 WeakPolarHBondContact CB-OD2 3.48Å; S214-D336 WeakPolarHBondContact OG-CB 3.29Å; S214-D336 PolarHBondContact OG-OD2 2.89Å; V215-D336 HydrophobicContact CG2-CB 3.77Å; S296-D336 PolarHBondContact OG-OD1 3.31Å; L334-D336 PolarHBondContact O-N 2.83Å; D336-D338 PolarHBondContact O-N 3.28Å; D336-F339 PolarHBondContact O-N 3.47Å; D336-F339 VanDerWaalsContact O-N 3.15Å; D336-F340 HydrophobicContact CB-CD2 4.3Å; D336-F340 HydrophobicContact CB-CE2 3.94Å; D336-F340 VanDerWaalsContact O-CD2 3.24Å; D336-F340 WeakPolarHBondContact O-CD2 3.14Å; D336-F340 WeakPolarHBondContact O-CG 2.95Å; D336-F340 PolarHBondContact O-N 2.77Å |
| 337 | Q | 95.9 | Very high | 94 | Very high | 13 Ų | 13 | 26.6 Ų | 26.6 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.7 | -40.9 | 179.9 | -163.1 | -175.6 | -84.9 | 0 | 0 | 111.6 | Y267 F294 N295 L334 G335 S341 | Y267-Q337 WeakPolarHBondContact OH-CG 3.39Å; Y267-Q337 PolarHBondContact OH-NE2 2.67Å; Y267-Q337 PolarHBondContact OH-O 2.96Å; F294-Q337 VanDerWaalsContact O-CD 3.23Å; F294-Q337 WeakPolarHBondContact O-CG 3.38Å; F294-Q337 PolarHBondContact O-NE2 2.76Å; N295-Q337 PolarHBondContact ND2-OE1 2.83Å; L334-Q337 HydrophobicContact CB-CB 4.13Å; L334-Q337 WeakPolarHBondContact O-CB 3.13Å; L334-Q337 PolarHBondContact O-N 2.79Å; G335-Q337 VanDerWaalsContact C-N 3.3Å; G335-Q337 PolarHBondContact O-N 3.46Å; Q337-S341 WeakPolarHBondContact O-CB 3.25Å; Q337-S341 PolarHBondContact O-N 2.73Å; Q337-S341 PolarHBondContact O-OG 3.42Å |
| 338 | D | 95.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.011 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72.1 | -41.9 | 179.7 | -76.9 | -17.2 | 0 | 0 | 0 | 111.7 | F198 Y267 F330 G332 H333 L334 G335 D336 S341 M342 | F198-D338 HydrophobicContact CB-CB 4.16Å; F198-D338 HydrophobicContact CD1-CB 3.8Å; F198-D338 HydrophobicContact CG-CB 4.24Å; Y267-D338 WeakPolarHBondContact CE1-OD1 3.38Å; Y267-D338 PolarHBondContact OH-OD1 3.44Å; F330-D338 HydrophobicContact CE1-CB 3.73Å; F330-D338 HydrophobicContact CZ-CB 3.78Å; G332-D338 VanDerWaalsContact C-OD2 3.26Å; G332-D338 WeakPolarHBondContact CA-OD2 3.32Å; H333-D338 PolarHBondContact N-OD2 2.81Å; L334-D338 PolarHBondContact N-OD2 3.19Å; G335-D338 PolarHBondContact O-N 3.48Å; D336-D338 PolarHBondContact O-N 3.28Å; D338-S341 PolarHBondContact O-N 2.91Å; D338-M342 WeakPolarHBondContact O-CB 3.39Å; D338-M342 PolarHBondContact O-N 2.76Å |
| 339 | F | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.5 | -53 | 174.9 | 173.7 | -98.9 | 0 | 0 | 0 | 111 | M194 F198 V215 L316 V321 G335 D336 S341 M342 I343 | M194-F339 HydrophobicContact SD-CD2 4.47Å; F198-F339 HydrophobicContact CD2-CB 4.24Å; F198-F339 HydrophobicContact CE2-CB 4.17Å; F198-F339 AromaticContact CE2-CD2 3.91Å; F198-F339 HydrophobicContact CE2-CD2 3.91Å; F198-F339 HydrophobicContact CZ-CD2 4.35Å; V215-F339 HydrophobicContact CB-CD1 4.28Å; V215-F339 HydrophobicContact CG1-CD1 3.64Å; V215-F339 HydrophobicContact CG1-CE1 3.52Å; V215-F339 HydrophobicContact CG1-CG 4.33Å; V215-F339 HydrophobicContact CG1-CZ 4.12Å; V215-F339 HydrophobicContact CG2-CB 4.32Å; V215-F339 HydrophobicContact CG2-CD1 3.65Å; V215-F339 HydrophobicContact CG2-CE1 4.35Å; V215-F339 HydrophobicContact CG2-CG 4.21Å; L316-F339 HydrophobicContact CD2-CE1 4.08Å; L316-F339 HydrophobicContact CD2-CZ 3.77Å; V321-F339 HydrophobicContact CG2-CE2 4.14Å; G335-F339 PolarHBondContact O-N 2.85Å; D336-F339 PolarHBondContact O-N 3.47Å; D336-F339 VanDerWaalsContact O-N 3.15Å; F339-S341 VanDerWaalsContact C-N 3.34Å; F339-S341 PolarHBondContact O-N 3.38Å; F339-M342 PolarHBondContact O-N 3.26Å; F339-I343 HydrophobicContact CD1-CD1 4.39Å; F339-I343 HydrophobicContact CD2-CG2 4.29Å; F339-I343 HydrophobicContact CE1-CD1 3.66Å; F339-I343 HydrophobicContact CE1-CG1 4.21Å; F339-I343 HydrophobicContact CE1-CG2 4.35Å; F339-I343 HydrophobicContact CE2-CG2 3.77Å; F339-I343 HydrophobicContact CZ-CD1 3.96Å; F339-I343 HydrophobicContact CZ-CG1 4.45Å; F339-I343 HydrophobicContact CZ-CG2 3.81Å; F339-I343 WeakPolarHBondContact O-CG1 3.14Å; F339-I343 PolarHBondContact O-N 3.33Å |
| 340 | F | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 179.7 | -65 | -41.9 | 0 | 0 | 0 | 112.4 | S214 V215 I257 I259 F294 M299 Y312 D336 M342 I343 G344 F351 | S214-F340 WeakPolarHBondContact OG-CE2 3.25Å; V215-F340 HydrophobicContact CB-CE1 4.48Å; V215-F340 HydrophobicContact CB-CZ 4.33Å; V215-F340 HydrophobicContact CG2-CE1 4Å; V215-F340 HydrophobicContact CG2-CE2 4.28Å; V215-F340 HydrophobicContact CG2-CZ 3.76Å; I257-F340 HydrophobicContact CD1-CD1 3.88Å; I257-F340 HydrophobicContact CD1-CE1 3.34Å; I257-F340 HydrophobicContact CD1-CZ 3.73Å; I259-F340 HydrophobicContact CD1-CD2 4.31Å; F294-F340 HydrophobicContact CD2-CB 4.29Å; M299-F340 HydrophobicContact SD-CD2 4.03Å; M299-F340 HydrophobicContact SD-CE2 3.66Å; Y312-F340 HydrophobicContact CE2-CE1 4.4Å; Y312-F340 WeakPolarHBondContact OH-CE1 3.34Å; D336-F340 HydrophobicContact CB-CD2 4.3Å; D336-F340 HydrophobicContact CB-CE2 3.94Å; D336-F340 VanDerWaalsContact O-CD2 3.24Å; D336-F340 WeakPolarHBondContact O-CD2 3.14Å; D336-F340 WeakPolarHBondContact O-CG 2.95Å; D336-F340 PolarHBondContact O-N 2.77Å; F340-M342 VanDerWaalsContact C-N 3.33Å; F340-M342 PolarHBondContact O-N 3.06Å; F340-I343 HydrophobicContact CD1-CD1 4.44Å; F340-G344 WeakPolarHBondContact O-CA 3.35Å; F340-G344 PolarHBondContact O-N 3.3Å; F340-F351 HydrophobicContact CB-CE1 4Å; F340-F351 HydrophobicContact CB-CZ 4.09Å; F340-F351 HydrophobicContact CD1-CE1 4.04Å; F340-F351 HydrophobicContact CD1-CZ 4.11Å; F340-F351 HydrophobicContact CG-CE1 4.2Å; F340-F351 HydrophobicContact CG-CZ 4.47Å |
| 341 | S | 98.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | 176.3 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | Y267 F294 Q337 D338 F339 M345 | Y267-S341 VanDerWaalsContact CE2-OG 3.24Å; Y267-S341 WeakPolarHBondContact CE2-OG 3.33Å; Y267-S341 PolarHBondContact OH-OG 3.45Å; F294-S341 PolarHBondContact N-OG 3.01Å; Q337-S341 WeakPolarHBondContact O-CB 3.25Å; Q337-S341 PolarHBondContact O-N 2.73Å; Q337-S341 PolarHBondContact O-OG 3.42Å; D338-S341 PolarHBondContact O-N 2.91Å; F339-S341 VanDerWaalsContact C-N 3.34Å; F339-S341 PolarHBondContact O-N 3.38Å; S341-M345 WeakPolarHBondContact O-CG 3.33Å; S341-M345 PolarHBondContact O-N 2.9Å |
| 342 | M | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66 | -52.1 | 178.4 | -173.3 | -170.7 | 71.9 | 0 | 0 | 112.1 | F198 L324 A325 Y328 F330 D338 F339 F340 G344 M345 | F198-M342 HydrophobicContact CE1-CE 4.21Å; F198-M342 HydrophobicContact CE1-SD 3.86Å; F198-M342 HydrophobicContact CZ-CE 3.52Å; F198-M342 HydrophobicContact CZ-SD 3.76Å; L324-M342 HydrophobicContact CB-CE 3.59Å; L324-M342 HydrophobicContact CB-CG 4.45Å; L324-M342 HydrophobicContact CB-SD 3.98Å; L324-M342 HydrophobicContact CD1-CE 4.31Å; A325-M342 VanDerWaalsContact CA-SD 3.54Å; A325-M342 HydrophobicContact CB-SD 3.97Å; A325-M342 PolarHBondContact N-SD 3.23Å; Y328-M342 HydrophobicContact CD2-CG 4.16Å; F330-M342 HydrophobicContact CB-SD 4.26Å; F330-M342 HydrophobicContact CG-SD 4.46Å; D338-M342 WeakPolarHBondContact O-CB 3.39Å; D338-M342 PolarHBondContact O-N 2.76Å; F339-M342 PolarHBondContact O-N 3.26Å; F340-M342 VanDerWaalsContact C-N 3.33Å; F340-M342 PolarHBondContact O-N 3.06Å; M342-G344 PolarHBondContact O-N 3.25Å; M342-M345 WeakPolarHBondContact O-CB 3.36Å; M342-M345 PolarHBondContact O-N 3.35Å; M342-M345 VanDerWaalsContact O-N 3.14Å |
| 343 | I | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.1 | -25.9 | 179.7 | 66.9 | 158.5 | 0 | 0 | 0 | 112 | Y312 L315 L324 F339 F340 M345 E346 H347 L350 F351 | Y312-I343 HydrophobicContact CD2-CD1 4.35Å; Y312-I343 HydrophobicContact CE2-CD1 4.09Å; L315-I343 HydrophobicContact CB-CG2 4.44Å; L315-I343 HydrophobicContact CD1-CB 4.28Å; L315-I343 HydrophobicContact CD1-CD1 4.17Å; L315-I343 HydrophobicContact CD1-CG2 4.49Å; L315-I343 HydrophobicContact CD2-CG2 4.38Å; L324-I343 HydrophobicContact CD1-CG2 3.96Å; F339-I343 HydrophobicContact CD1-CD1 4.39Å; F339-I343 HydrophobicContact CD2-CG2 4.29Å; F339-I343 HydrophobicContact CE1-CD1 3.66Å; F339-I343 HydrophobicContact CE1-CG1 4.21Å; F339-I343 HydrophobicContact CE1-CG2 4.35Å; F339-I343 HydrophobicContact CE2-CG2 3.77Å; F339-I343 HydrophobicContact CZ-CD1 3.96Å; F339-I343 HydrophobicContact CZ-CG1 4.45Å; F339-I343 HydrophobicContact CZ-CG2 3.81Å; F339-I343 WeakPolarHBondContact O-CG1 3.14Å; F339-I343 PolarHBondContact O-N 3.33Å; F340-I343 HydrophobicContact CD1-CD1 4.44Å; I343-M345 VanDerWaalsContact C-N 3.29Å; I343-M345 PolarHBondContact O-N 2.96Å; I343-E346 PolarHBondContact O-N 3Å; I343-H347 PolarHBondContact O-N 3.33Å; I343-L350 HydrophobicContact CD1-CD1 4.33Å; I343-F351 HydrophobicContact CD1-CE2 4.12Å; I343-F351 HydrophobicContact CD1-CZ 3.75Å; I343-F351 HydrophobicContact CG1-CE2 3.96Å; I343-F351 HydrophobicContact CG1-CZ 3.74Å |
| 344 | G | 98.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.6 | -23.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F340 M342 | F340-G344 WeakPolarHBondContact O-CA 3.35Å; F340-G344 PolarHBondContact O-N 3.3Å; M342-G344 PolarHBondContact O-N 3.25Å |
| 345 | M | 98.1 | Very high | 97.2 | Very high | 16 Ų | 16 | 23 Ų | 23 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.9 | -39.8 | 170.8 | -59.6 | -48.1 | 167.1 | 0 | 0 | 111.4 | F271 V283 L291 Y328 S341 M342 I343 | F271-M345 HydrophobicContact CD2-CE 4.31Å; F271-M345 HydrophobicContact CE1-CG 4.13Å; F271-M345 HydrophobicContact CE2-CE 3.59Å; F271-M345 HydrophobicContact CE2-CG 4.3Å; F271-M345 HydrophobicContact CZ-CE 3.97Å; F271-M345 HydrophobicContact CZ-CG 3.73Å; V283-M345 HydrophobicContact CB-SD 4.26Å; V283-M345 HydrophobicContact CG1-CE 4.33Å; V283-M345 HydrophobicContact CG1-CG 3.97Å; V283-M345 HydrophobicContact CG1-SD 3.96Å; V283-M345 HydrophobicContact CG2-CB 3.97Å; V283-M345 HydrophobicContact CG2-CG 4Å; V283-M345 HydrophobicContact CG2-SD 3.97Å; L291-M345 HydrophobicContact CB-CE 4.32Å; L291-M345 HydrophobicContact CB-SD 3.51Å; L291-M345 VanDerWaalsContact CB-SD 3.51Å; L291-M345 HydrophobicContact CD1-SD 4.02Å; L291-M345 HydrophobicContact CG-SD 4.41Å; L291-M345 WeakPolarHBondContact O-CE 3.42Å; Y328-M345 HydrophobicContact CE1-CB 3.92Å; Y328-M345 HydrophobicContact CE2-CB 4.4Å; S341-M345 WeakPolarHBondContact O-CG 3.33Å; S341-M345 PolarHBondContact O-N 2.9Å; M342-M345 WeakPolarHBondContact O-CB 3.36Å; M342-M345 PolarHBondContact O-N 3.35Å; M342-M345 VanDerWaalsContact O-N 3.14Å; I343-M345 VanDerWaalsContact C-N 3.29Å; I343-M345 PolarHBondContact O-N 2.96Å |
| 346 | E | 97.8 | Very high | 97.6 | Very high | 70 Ų | 70 | 24.7 Ų | 24.7 | 33% | 0.327 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -83.6 | -42.6 | -177.4 | -167 | 66.7 | -152.6 | 0 | 0 | 112.3 | L324 Q327 Y328 I343 P348 | L324-E346 HydrophobicContact CD2-CB 4.14Å; L324-E346 HydrophobicContact CD2-CG 3.87Å; Q327-E346 PolarHBondContact NE2-OE2 3.44Å; Y328-E346 HydrophobicContact CE2-CB 4.38Å; Y328-E346 PolarHBondContact OH-OE2 3.4Å; I343-E346 PolarHBondContact O-N 3Å; E346-P348 VanDerWaalsContact C-CD 3.5Å; E346-P348 WeakPolarHBondContact O-CD 3.26Å |
| 347 | H | 98.2 | Very high | 97.9 | Very high | 56 Ų | 56 | 24.2 Ų | 24.2 | 26% | 0.259 | 15% | 0.148 | S | C | . | . | trans | -130.4 | 65.5 | -170.8 | -59.5 | -58.1 | 0 | 0 | 0 | 111.5 | L311 I343 G349 L350 | L311-H347 HydrophobicContact CD2-CB 4.41Å; I343-H347 PolarHBondContact O-N 3.33Å; H347-G349 PolarHBondContact O-N 2.8Å; H347-G349 VanDerWaalsContact O-N 3.07Å; H347-L350 HydrophobicContact CB-CD1 3.75Å; H347-L350 HydrophobicContact CB-CG 4.13Å; H347-L350 PolarHBondContact O-N 3.46Å; H347-L350 VanDerWaalsContact O-N 3.09Å | ||
| 348 | P | 97.7 | Very high | 98 | Very high | 64 Ų | 64 | 24 Ų | 24 | 42% | 0.416 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -60 | -23.8 | -179.4 | 25.1 | -35.1 | 0 | 0 | 0 | 113 | E346 L350 F351 | E346-P348 VanDerWaalsContact C-CD 3.5Å; E346-P348 WeakPolarHBondContact O-CD 3.26Å; P348-L350 PolarHBondContact O-N 3.46Å; P348-F351 PolarHBondContact O-N 3.1Å; P348-F351 VanDerWaalsContact O-N 3.08Å |
| 349 | G | 98.3 | Very high | 98.2 | Very high | 52 Ų | 52 | 24 Ų | 24 | 54% | 0.536 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -65.5 | -13.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G254 A255 H347 F351 | G254-G349 CarbonylContact C-O 3.58Å; A255-G349 WeakPolarHBondContact CA-O 3.2Å; A255-G349 PolarHBondContact N-O 3.5Å; H347-G349 PolarHBondContact O-N 2.8Å; H347-G349 VanDerWaalsContact O-N 3.07Å; G349-F351 PolarHBondContact O-N 3.06Å |
| 350 | L | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -75.3 | -11.8 | 172 | -69.8 | 172.1 | 0 | 0 | 0 | 112.8 | A255 V256 I257 L311 Y312 L315 I343 H347 P348 | A255-L350 WeakPolarHBondContact CA-O 3.46Å; V256-L350 HydrophobicContact CG2-CB 4.26Å; V256-L350 HydrophobicContact CG2-CD2 4.15Å; V256-L350 PolarHBondContact N-O 3.45Å; I257-L350 PolarHBondContact N-O 3.42Å; L311-L350 HydrophobicContact CD2-CD1 4.27Å; L311-L350 HydrophobicContact CD2-CD2 4.06Å; L311-L350 HydrophobicContact CD2-CG 4.18Å; L311-L350 HydrophobicContact CG-CD1 4.3Å; L311-L350 HydrophobicContact CG-CD2 4.31Å; Y312-L350 HydrophobicContact CD2-CD1 4.4Å; L315-L350 HydrophobicContact CD1-CD1 3.44Å; L315-L350 VanDerWaalsContact CD1-CD1 3.44Å; I343-L350 HydrophobicContact CD1-CD1 4.33Å; H347-L350 HydrophobicContact CB-CD1 3.75Å; H347-L350 HydrophobicContact CB-CG 4.13Å; H347-L350 PolarHBondContact O-N 3.46Å; H347-L350 VanDerWaalsContact O-N 3.09Å; P348-L350 PolarHBondContact O-N 3.46Å |
| 351 | F | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 25.5 Ų | 25.5 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.7 | -170.3 | -60.8 | -85 | 0 | 0 | 0 | 112.3 | I257 I259 F294 F340 I343 P348 G349 | I257-F351 HydrophobicContact CB-CD1 3.94Å; I257-F351 HydrophobicContact CB-CE1 4.08Å; I257-F351 HydrophobicContact CD1-CE1 4.11Å; I257-F351 HydrophobicContact CG2-CD1 4.03Å; I257-F351 HydrophobicContact CG2-CE1 4.16Å; I257-F351 CarbonylContact O-C 3.55Å; I257-F351 VanDerWaalsContact O-CA 3.25Å; I257-F351 WeakPolarHBondContact O-CA 3.34Å; I259-F351 HydrophobicContact CG2-CD1 3.75Å; I259-F351 HydrophobicContact CG2-CE1 4.46Å; I259-F351 HydrophobicContact CG2-CG 4.48Å; F294-F351 HydrophobicContact CD2-CD1 4.45Å; F294-F351 HydrophobicContact CD2-CE1 4.44Å; F294-F351 HydrophobicContact CE2-CB 4.34Å; F294-F351 AromaticContact CE2-CD1 3.88Å; F294-F351 HydrophobicContact CE2-CD1 3.88Å; F294-F351 AromaticContact CE2-CD2 3.84Å; F294-F351 HydrophobicContact CE2-CD2 3.84Å; F294-F351 HydrophobicContact CE2-CE1 4.09Å; F294-F351 HydrophobicContact CE2-CE2 4.06Å; F294-F351 AromaticContact CE2-CG 3.74Å; F294-F351 HydrophobicContact CE2-CG 3.74Å; F294-F351 HydrophobicContact CE2-CZ 4.16Å; F294-F351 HydrophobicContact CZ-CB 3.92Å; F294-F351 HydrophobicContact CZ-CD1 4.26Å; F294-F351 HydrophobicContact CZ-CD2 4.11Å; F294-F351 AromaticContact CZ-CG 3.83Å; F294-F351 HydrophobicContact CZ-CG 3.83Å; F340-F351 HydrophobicContact CB-CE1 4Å; F340-F351 HydrophobicContact CB-CZ 4.09Å; F340-F351 HydrophobicContact CD1-CE1 4.04Å; F340-F351 HydrophobicContact CD1-CZ 4.11Å; F340-F351 HydrophobicContact CG-CE1 4.2Å; F340-F351 HydrophobicContact CG-CZ 4.47Å; I343-F351 HydrophobicContact CD1-CE2 4.12Å; I343-F351 HydrophobicContact CD1-CZ 3.75Å; I343-F351 HydrophobicContact CG1-CE2 3.96Å; I343-F351 HydrophobicContact CG1-CZ 3.74Å; P348-F351 PolarHBondContact O-N 3.1Å; P348-F351 VanDerWaalsContact O-N 3.08Å; G349-F351 PolarHBondContact O-N 3.06Å |
| 352 | H | 98.7 | Very high | 98.3 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 12% | 0.12 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 119.5 | 161 | 175.9 | 60.8 | 0 | 0 | 0 | 108.9 | E247 F251 A255 I257 G258 I259 L354 | E247-H352 IonicContact OE2-CD2 3.64Å; E247-H352 IonicContact OE2-CE1 2.79Å; E247-H352 IonicContact OE2-NE2 3.8Å; E247-H352 PolarHBondContact OE2-NE2 3.13Å; F251-H352 HydrophobicContact CD1-CB 3.43Å; F251-H352 VanDerWaalsContact CD1-CB 3.43Å; F251-H352 AromaticContact CD1-CD2 3.64Å; F251-H352 AromaticContact CD1-CG 3.58Å; F251-H352 HydrophobicContact CE1-CB 3.61Å; F251-H352 AromaticContact CE1-CD2 3.58Å; F251-H352 AromaticContact CE1-CG 3.84Å; F251-H352 HydrophobicContact CG-CB 3.96Å; F251-H352 HydrophobicContact CZ-CB 4.25Å; A255-H352 HydrophobicContact CB-CB 4.44Å; I257-H352 PolarHBondContact O-N 3.47Å; G258-H352 CarbonylContact C-O 3.22Å; G258-H352 VanDerWaalsContact CA-O 3.25Å; G258-H352 WeakPolarHBondContact CA-O 3.28Å; I259-H352 PolarHBondContact N-O 3.19Å; H352-L354 PolarHBondContact O-N 3.31Å |
| 353 | Q | 98 | Very high | 98.3 | Very high | 91 Ų | 91 | 26.2 Ų | 26.2 | 43% | 0.425 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 112.5 | -179.2 | -174.3 | -170.9 | -35.5 | 0 | 0 | 110.7 | R261 | R261-Q353 VanDerWaalsContact CD-NE2 3.33Å; R261-Q353 HydrophobicContact CG-CG 4.21Å; R261-Q353 VanDerWaalsContact CZ-CD 3.48Å; R261-Q353 VanDerWaalsContact CZ-NE2 3.27Å |
| 354 | L | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 147.1 | 173.2 | -60.4 | 174.6 | 0 | 0 | 0 | 111.2 | E247 I259 A260 V298 L300 H352 W358 | E247-L354 HydrophobicContact CB-CD2 4.04Å; E247-L354 HydrophobicContact CG-CD2 4.08Å; I259-L354 PolarHBondContact O-N 2.9Å; A260-L354 HydrophobicContact CB-CB 4.3Å; V298-L354 HydrophobicContact CG1-CD1 4.33Å; L300-L354 HydrophobicContact CD1-CD1 3.99Å; L300-L354 HydrophobicContact CD1-CD2 4.4Å; L300-L354 HydrophobicContact CD2-CD2 4.44Å; H352-L354 PolarHBondContact O-N 3.31Å; L354-W358 HydrophobicContact CB-CB 4.35Å |
| 355 | A | 97.8 | Very high | 98.2 | Very high | 57 Ų | 57 | 31.6 Ų | 31.6 | 47% | 0.471 | 18% | 0.18 | S | C | . | . | trans | -57.8 | 141.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G357 W358 | A355-G357 PolarHBondContact O-N 3.02Å; A355-W358 WeakPolarHBondContact O-CB 3.48Å; A355-W358 PolarHBondContact O-N 3.21Å | ||
| 356 | C | 98.3 | Very high | 98.2 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -56.5 | -27.8 | -178 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | M263 W358 N359 R360 C381 | M263-C356 HydrophobicContact CE-CB 3.41Å; M263-C356 VanDerWaalsContact CE-CB 3.41Å; M263-C356 WeakPolarHBondContact CE-O 3.47Å; C356-W358 PolarHBondContact O-N 3.09Å; C356-N359 CarbonylContact O-C 3.14Å; C356-N359 PolarHBondContact O-N 2.94Å; C356-R360 PolarHBondContact O-N 3.28Å; C356-C381 HydrophobicContact CB-CB 3.65Å; C356-C381 WeakPolarHBondContact CB-SG 3.28Å; C356-C381 WeakPolarHBondContact SG-CA 3.28Å; C356-C381 WeakPolarHBondContact SG-CB 3.3Å; C356-C381 CovalentContact SG-SG 2.03Å; C356-C381 PolarHBondContact SG-SG 3.37Å |
| 357 | G | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -65.3 | -21.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A355 N359 C381 P384 Y386 I387 | A355-G357 PolarHBondContact O-N 3.02Å; G357-N359 VanDerWaalsContact C-N 3.26Å; G357-C381 PolarHBondContact N-SG 2.97Å; G357-C381 VanDerWaalsContact N-SG 3.45Å; G357-P384 WeakPolarHBondContact CA-O 3.4Å; G357-Y386 WeakPolarHBondContact O-CB 3.37Å; G357-Y386 PolarHBondContact O-N 3.25Å; G357-I387 PolarHBondContact O-N 3.5Å |
| 358 | W | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 4% | 0.038 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -75.3 | -15.4 | 175.3 | -77.9 | 125.2 | 0 | 0 | 0 | 113.3 | E243 L244 V298 L354 A355 C356 Y386 I387 | E243-W358 HydrophobicContact CB-CH2 3.78Å; E243-W358 HydrophobicContact CB-CZ2 4.2Å; L244-W358 HydrophobicContact CB-CE3 4.11Å; L244-W358 HydrophobicContact CB-CH2 3.96Å; L244-W358 HydrophobicContact CB-CZ2 4.49Å; L244-W358 HydrophobicContact CB-CZ3 3.73Å; L244-W358 HydrophobicContact CD1-CB 4.38Å; L244-W358 HydrophobicContact CD1-CD2 3.66Å; L244-W358 HydrophobicContact CD1-CE3 3.67Å; L244-W358 HydrophobicContact CD1-CG 3.99Å; L244-W358 HydrophobicContact CD1-CZ3 4.18Å; L244-W358 HydrophobicContact CG-CE3 4.33Å; L244-W358 HydrophobicContact CG-CZ3 4.44Å; V298-W358 WeakPolarHBondContact CG2-O 3.46Å; L354-W358 HydrophobicContact CB-CB 4.35Å; A355-W358 WeakPolarHBondContact O-CB 3.48Å; A355-W358 PolarHBondContact O-N 3.21Å; C356-W358 PolarHBondContact O-N 3.09Å; W358-Y386 AromaticContact CD2-CD2 3.64Å; W358-Y386 HydrophobicContact CD2-CD2 3.64Å; W358-Y386 HydrophobicContact CD2-CE2 4.41Å; W358-Y386 HydrophobicContact CD2-CG 4.07Å; W358-Y386 AromaticContact CE2-CD2 3.75Å; W358-Y386 VanDerWaalsContact CE3-CB 3.47Å; W358-Y386 HydrophobicContact CE3-CD2 4.01Å; W358-Y386 AromaticContact CE3-CG 3.96Å; W358-Y386 HydrophobicContact CE3-CG 3.96Å; W358-Y386 AromaticContact CG-CD2 3.97Å; W358-Y386 HydrophobicContact CG-CD2 3.97Å; W358-Y386 HydrophobicContact CH2-CD2 4.48Å; W358-Y386 HydrophobicContact CH2-CG 4.19Å; W358-Y386 HydrophobicContact CZ2-CD2 4.19Å; W358-Y386 HydrophobicContact CZ2-CE2 4.48Å; W358-Y386 HydrophobicContact CZ2-CG 4.32Å; W358-Y386 HydrophobicContact CZ3-CD2 4.42Å; W358-Y386 HydrophobicContact CZ3-CG 4.02Å; W358-I387 HydrophobicContact CE3-CD1 4.13Å; W358-I387 HydrophobicContact CE3-CG1 4.26Å; W358-I387 WeakPolarHBondContact O-CB 3.31Å |
| 359 | N | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -150.5 | 69.4 | 174 | -176 | -0.5 | 0 | 0 | 0 | 108.2 | A260 M263 N295 V298 C356 G357 Q361 H389 | A260-N359 HydrophobicContact CB-CB 3.65Å; M263-N359 WeakPolarHBondContact CE-O 3.47Å; N295-N359 PolarHBondContact OD1-ND2 3.14Å; V298-N359 HydrophobicContact CB-CB 4.04Å; V298-N359 HydrophobicContact CG2-CB 3.94Å; C356-N359 CarbonylContact O-C 3.14Å; C356-N359 PolarHBondContact O-N 2.94Å; G357-N359 VanDerWaalsContact C-N 3.26Å; N359-Q361 VanDerWaalsContact C-N 3.32Å; N359-Q361 PolarHBondContact O-N 2.89Å; N359-H389 VanDerWaalsContact OD1-CB 3.22Å; N359-H389 WeakPolarHBondContact OD1-CB 3.31Å; N359-H389 PolarHBondContact OD1-ND1 3.32Å |
| 360 | R | 98.6 | Very high | 97.8 | Very high | 32 Ų | 32 | 37.1 Ų | 37.1 | 12% | 0.121 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 88.8 | -178.8 | -179.4 | 52.7 | -179.7 | 166.6 | 1.8 | 109.8 | M263 C356 Y379 V385 I387 Y388 H389 | M263-R360 PolarHBondContact SD-NH1 3.08Å; C356-R360 PolarHBondContact O-N 3.28Å; R360-Y379 VanDerWaalsContact CZ-O 3.24Å; R360-Y379 PolarHBondContact NH1-O 2.94Å; R360-Y379 PolarHBondContact NH2-O 3.49Å; R360-V385 HydrophobicContact CB-CG1 3.64Å; R360-V385 HydrophobicContact CB-CG2 4.22Å; R360-V385 HydrophobicContact CG-CG1 4.13Å; R360-V385 HydrophobicContact CG-CG2 3.99Å; R360-I387 WeakPolarHBondContact CB-O 3.47Å; R360-I387 PolarHBondContact N-O 2.95Å; R360-Y388 HydrophobicContact CB-CD1 4.12Å; R360-Y388 HydrophobicContact CG-CD1 3.88Å; R360-Y388 HydrophobicContact CG-CE1 3.93Å; R360-H389 PolarHBondContact O-N 2.96Å |
| 361 | Q | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 135.5 | 177.4 | -58.8 | 172.9 | -99.4 | 0 | 0 | 111.4 | R261 E262 M263 N295 N359 Y379 | R261-Q361 PolarHBondContact O-OE1 3.39Å; E262-Q361 PolarHBondContact OE1-NE2 3.27Å; E262-Q361 PolarHBondContact OE2-NE2 2.93Å; M263-Q361 HydrophobicContact CB-CB 4.17Å; M263-Q361 HydrophobicContact CG-CB 4.37Å; M263-Q361 HydrophobicContact SD-CB 4.08Å; M263-Q361 HydrophobicContact SD-CG 4.44Å; N295-Q361 VanDerWaalsContact CB-CD 3.45Å; N295-Q361 HydrophobicContact CB-CG 4.31Å; N295-Q361 VanDerWaalsContact CG-CD 3.43Å; N295-Q361 PolarHBondContact ND2-NE2 3.16Å; N359-Q361 VanDerWaalsContact C-N 3.32Å; N359-Q361 PolarHBondContact O-N 2.89Å; Q361-Y379 WeakPolarHBondContact O-CE2 3.44Å |
| 362 | L | 98.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | trans | -108.1 | -13.2 | -176 | -64.3 | 178.1 | 0 | 0 | 0 | 113.6 | T364 Y379 Y388 H389 N391 T394 I396 | L362-T364 PolarHBondContact O-N 3.07Å; L362-Y379 WeakPolarHBondContact CA-OH 3.23Å; L362-Y379 PolarHBondContact O-OH 3.42Å; L362-Y388 HydrophobicContact CD1-CD1 4.12Å; L362-Y388 HydrophobicContact CD2-CD1 3.83Å; L362-Y388 HydrophobicContact CD2-CE1 4.17Å; L362-Y388 HydrophobicContact CG-CD1 4.2Å; L362-H389 WeakPolarHBondContact CB-O 3.37Å; L362-H389 WeakPolarHBondContact CG-O 3.17Å; L362-H389 PolarHBondContact N-O 2.94Å; L362-N391 PolarHBondContact N-OD1 3.01Å; L362-N391 VanDerWaalsContact N-OD1 3.08Å; L362-T394 HydrophobicContact CB-CG2 3.75Å; L362-I396 HydrophobicContact CD1-CB 4.24Å; L362-I396 HydrophobicContact CD1-CG1 4.06Å; L362-I396 HydrophobicContact CD1-CG2 4.2Å | ||
| 363 | C | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | trans | -59.5 | 132.4 | -179.4 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | Q264 N391 C392 T394 | Q264-C363 VanDerWaalsContact NE2-C 3.27Å; Q264-C363 PolarHBondContact NE2-O 3.38Å; Q264-C363 PolarHBondContact OE1-SG 3.47Å; Q264-C363 VanDerWaalsContact OE1-SG 3.33Å; C363-N391 HydrophobicContact CB-CB 4.44Å; C363-N391 VanDerWaalsContact CB-CG 3.4Å; C363-N391 WeakPolarHBondContact CB-ND2 3.45Å; C363-N391 VanDerWaalsContact CB-OD1 3.32Å; C363-N391 WeakPolarHBondContact CB-OD1 3.38Å; C363-N391 PolarHBondContact N-OD1 3.48Å; C363-C392 VanDerWaalsContact CA-SG 3.52Å; C363-C392 HydrophobicContact CB-CB 3.93Å; C363-C392 WeakPolarHBondContact CB-SG 3.3Å; C363-C392 WeakPolarHBondContact SG-CB 3.45Å; C363-C392 CovalentContact SG-SG 2.03Å; C363-C392 PolarHBondContact SG-SG 3.36Å; C363-T394 WeakPolarHBondContact CA-OG1 3.37Å | ||
| 364 | T | 97.9 | Very high | 97.6 | Very high | 40 Ų | 40 | 42.2 Ų | 42.2 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | trans | -118.5 | 12.5 | 174 | 66.1 | 0 | 0 | 0 | 0 | 113.5 | L362 W366 R367 F375 Y379 | L362-T364 PolarHBondContact O-N 3.07Å; T364-W366 VanDerWaalsContact C-N 3.32Å; T364-W366 PolarHBondContact O-N 3.2Å; T364-R367 WeakPolarHBondContact O-CB 3.34Å; T364-R367 PolarHBondContact O-N 2.91Å; T364-F375 HydrophobicContact CG2-CE1 4.13Å; T364-F375 HydrophobicContact CG2-CZ 3.91Å; T364-Y379 HydrophobicContact CG2-CE1 4.41Å; T364-Y379 HydrophobicContact CG2-CE2 4.24Å | ||
| 365 | W | 96.7 | Very high | 97.6 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 29% | 0.288 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -48.6 | -49.6 | -176.4 | -170.6 | 92.5 | 0 | 0 | 0 | 113 | I52 Q264 R367 E368 H369 | I52-W365 HydrophobicContact CD1-CH2 4.41Å; I52-W365 HydrophobicContact CG1-CH2 3.69Å; I52-W365 HydrophobicContact CG1-CZ3 4.43Å; Q264-W365 VanDerWaalsContact NE2-N 3.17Å; W365-R367 PolarHBondContact O-N 3.38Å; W365-R367 VanDerWaalsContact O-N 3.16Å; W365-E368 PolarHBondContact O-N 3.41Å; W365-H369 AromaticContact CD1-CE1 3.85Å; W365-H369 AromaticContact CD2-CE1 3.71Å; W365-H369 AromaticContact CD2-CG 3.98Å; W365-H369 AromaticContact CD2-ND1 3.49Å; W365-H369 AromaticContact CE2-CD2 3.83Å; W365-H369 AromaticContact CE2-CE1 3.23Å; W365-H369 AromaticContact CE2-CG 3.83Å; W365-H369 AromaticContact CE2-ND1 3.46Å; W365-H369 AromaticContact CE2-NE2 3.47Å; W365-H369 HydrophobicContact CE3-CB 4.08Å; W365-H369 AromaticContact CE3-CG 3.87Å; W365-H369 AromaticContact CE3-ND1 3.75Å; W365-H369 HydrophobicContact CH2-CB 3.76Å; W365-H369 AromaticContact CH2-CD2 3.31Å; W365-H369 WeakPolarHBondContact CH2-CD2 3.48Å; W365-H369 AromaticContact CH2-CG 3.36Å; W365-H369 AromaticContact CH2-ND1 3.88Å; W365-H369 AromaticContact CH2-NE2 3.83Å; W365-H369 HydrophobicContact CZ2-CB 4.43Å; W365-H369 AromaticContact CZ2-CD2 3.24Å; W365-H369 WeakPolarHBondContact CZ2-CD2 3.37Å; W365-H369 AromaticContact CZ2-CE1 3.49Å; W365-H369 VanDerWaalsContact CZ2-CE1 3.49Å; W365-H369 WeakPolarHBondContact CZ2-CE1 3.29Å; W365-H369 AromaticContact CZ2-CG 3.55Å; W365-H369 AromaticContact CZ2-ND1 3.69Å; W365-H369 AromaticContact CZ2-NE2 3.21Å; W365-H369 WeakPolarHBondContact CZ2-NE2 2.94Å; W365-H369 HydrophobicContact CZ3-CB 3.59Å; W365-H369 AromaticContact CZ3-CG 3.56Å; W365-H369 AromaticContact CZ3-ND1 3.93Å; W365-H369 AromaticContact NE1-CE1 3.34Å; W365-H369 PolarHBondContact NE1-CE1 3.42Å; W365-H369 VanDerWaalsContact NE1-CE1 3.34Å; W365-H369 AromaticContact NE1-ND1 3.93Å; W365-H369 AromaticContact NE1-NE2 3.76Å; W365-H369 PolarHBondContact O-ND1 3.3Å |
| 366 | W | 96.9 | Very high | 97.6 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 8% | 0.076 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -65.5 | -19.9 | -177.5 | -77.7 | 101 | 0 | 0 | 0 | 115 | I52 Q264 P265 V266 H269 T364 E368 H369 Y371 | I52-W366 HydrophobicContact CD1-CH2 3.67Å; I52-W366 HydrophobicContact CD1-CZ2 4.46Å; I52-W366 HydrophobicContact CD1-CZ3 4.28Å; Q264-W366 HydrophobicContact CB-CB 4.33Å; Q264-W366 HydrophobicContact CB-CG 4.44Å; P265-W366 HydrophobicContact CG-CB 4.05Å; V266-W366 HydrophobicContact CB-CZ2 4.24Å; V266-W366 HydrophobicContact CG2-CZ2 3.72Å; H269-W366 HydrophobicContact CB-CH2 3.88Å; H269-W366 HydrophobicContact CB-CZ3 3.82Å; H269-W366 AromaticContact CD2-CH2 3.52Å; H269-W366 AromaticContact CG-CH2 3.55Å; H269-W366 AromaticContact CG-CZ3 3.59Å; H269-W366 AromaticContact ND1-CZ3 3.77Å; T364-W366 VanDerWaalsContact C-N 3.32Å; T364-W366 PolarHBondContact O-N 3.2Å; W366-E368 VanDerWaalsContact C-N 3.3Å; W366-E368 PolarHBondContact O-N 2.85Å; W366-H369 HydrophobicContact CE3-CB 4.48Å; W366-H369 PolarHBondContact O-N 2.84Å; W366-Y371 AromaticContact CE3-CD2 3.63Å; W366-Y371 HydrophobicContact CE3-CD2 3.63Å; W366-Y371 AromaticContact CE3-CE2 3.64Å; W366-Y371 HydrophobicContact CE3-CE2 3.64Å; W366-Y371 HydrophobicContact CZ3-CD2 4.16Å; W366-Y371 AromaticContact CZ3-CE2 3.67Å; W366-Y371 HydrophobicContact CZ3-CE2 3.67Å |
| 367 | R | 97.2 | Very high | 97.6 | Very high | 106 Ų | 106 | 48.2 Ų | 48.2 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -58.9 | -44.7 | 174.8 | -169 | 178.6 | 68.7 | -159.9 | -2.2 | 111.1 | T364 W365 H369 G372 F375 | T364-R367 WeakPolarHBondContact O-CB 3.34Å; T364-R367 PolarHBondContact O-N 2.91Å; W365-R367 PolarHBondContact O-N 3.38Å; W365-R367 VanDerWaalsContact O-N 3.16Å; R367-H369 VanDerWaalsContact C-N 3.29Å; R367-H369 PolarHBondContact O-N 2.84Å; R367-G372 WeakPolarHBondContact O-CA 3.41Å; R367-G372 PolarHBondContact O-N 3.49Å; R367-F375 HydrophobicContact CB-CB 4.21Å; R367-F375 HydrophobicContact CB-CD1 3.9Å; R367-F375 HydrophobicContact CB-CD2 3.58Å; R367-F375 HydrophobicContact CB-CE1 4.17Å; R367-F375 HydrophobicContact CB-CE2 3.88Å; R367-F375 HydrophobicContact CB-CG 3.61Å; R367-F375 HydrophobicContact CB-CZ 4.18Å; R367-F375 HydrophobicContact CG-CB 3.94Å; R367-F375 HydrophobicContact CG-CD1 3.81Å; R367-F375 HydrophobicContact CG-CD2 4.22Å; R367-F375 HydrophobicContact CG-CE1 4.4Å; R367-F375 HydrophobicContact CG-CG 3.71Å |
| 368 | E | 95.4 | Very high | 97.6 | Very high | 127 Ų | 127 | 48.2 Ų | 48.2 | 59% | 0.593 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -86.8 | 1.2 | -176.5 | -50.8 | -55.5 | 152.7 | 0 | 0 | 112.9 | W365 W366 | W365-E368 PolarHBondContact O-N 3.41Å; W366-E368 VanDerWaalsContact C-N 3.3Å; W366-E368 PolarHBondContact O-N 2.85Å |
| 369 | H | 95.6 | Very high | 97.6 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 40.5 | -175.1 | -66.2 | 81.6 | 0 | 0 | 0 | 112.3 | W365 W366 R367 | W365-H369 AromaticContact CD1-CE1 3.85Å; W365-H369 AromaticContact CD2-CE1 3.71Å; W365-H369 AromaticContact CD2-CG 3.98Å; W365-H369 AromaticContact CD2-ND1 3.49Å; W365-H369 AromaticContact CE2-CD2 3.83Å; W365-H369 AromaticContact CE2-CE1 3.23Å; W365-H369 AromaticContact CE2-CG 3.83Å; W365-H369 AromaticContact CE2-ND1 3.46Å; W365-H369 AromaticContact CE2-NE2 3.47Å; W365-H369 HydrophobicContact CE3-CB 4.08Å; W365-H369 AromaticContact CE3-CG 3.87Å; W365-H369 AromaticContact CE3-ND1 3.75Å; W365-H369 HydrophobicContact CH2-CB 3.76Å; W365-H369 AromaticContact CH2-CD2 3.31Å; W365-H369 WeakPolarHBondContact CH2-CD2 3.48Å; W365-H369 AromaticContact CH2-CG 3.36Å; W365-H369 AromaticContact CH2-ND1 3.88Å; W365-H369 AromaticContact CH2-NE2 3.83Å; W365-H369 HydrophobicContact CZ2-CB 4.43Å; W365-H369 AromaticContact CZ2-CD2 3.24Å; W365-H369 WeakPolarHBondContact CZ2-CD2 3.37Å; W365-H369 AromaticContact CZ2-CE1 3.49Å; W365-H369 VanDerWaalsContact CZ2-CE1 3.49Å; W365-H369 WeakPolarHBondContact CZ2-CE1 3.29Å; W365-H369 AromaticContact CZ2-CG 3.55Å; W365-H369 AromaticContact CZ2-ND1 3.69Å; W365-H369 AromaticContact CZ2-NE2 3.21Å; W365-H369 WeakPolarHBondContact CZ2-NE2 2.94Å; W365-H369 HydrophobicContact CZ3-CB 3.59Å; W365-H369 AromaticContact CZ3-CG 3.56Å; W365-H369 AromaticContact CZ3-ND1 3.93Å; W365-H369 AromaticContact NE1-CE1 3.34Å; W365-H369 PolarHBondContact NE1-CE1 3.42Å; W365-H369 VanDerWaalsContact NE1-CE1 3.34Å; W365-H369 AromaticContact NE1-ND1 3.93Å; W365-H369 AromaticContact NE1-NE2 3.76Å; W365-H369 PolarHBondContact O-ND1 3.3Å; W366-H369 HydrophobicContact CE3-CB 4.48Å; W366-H369 PolarHBondContact O-N 2.84Å; R367-H369 VanDerWaalsContact C-N 3.29Å; R367-H369 PolarHBondContact O-N 2.84Å |
| 370 | G | 94.9 | Very high | 97.5 | Very high | 64 Ų | 64 | 57 Ų | 57 | 66% | 0.66 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.5 | 9 | 169 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 371 | Y | 97.8 | Very high | 97.5 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 18.9 | -178.2 | -63.2 | -88.2 | 0 | 0 | 0 | 114 | P265 R268 H269 W366 D373 V374 F375 | P265-Y371 HydrophobicContact CB-CD1 4.02Å; P265-Y371 HydrophobicContact CB-CG 4.15Å; P265-Y371 VanDerWaalsContact CG-CB 3.44Å; P265-Y371 HydrophobicContact CG-CD1 4.13Å; P265-Y371 HydrophobicContact CG-CD2 4.43Å; P265-Y371 HydrophobicContact CG-CG 3.75Å; R268-Y371 HydrophobicContact CG-CE1 4.42Å; H269-Y371 WeakPolarHBondContact CA-OH 3.41Å; H269-Y371 HydrophobicContact CB-CE2 4.01Å; H269-Y371 VanDerWaalsContact CB-OH 3.23Å; H269-Y371 WeakPolarHBondContact CB-OH 3.29Å; H269-Y371 AromaticContact ND1-CE2 3.74Å; H269-Y371 AromaticContact ND1-CZ 3.65Å; H269-Y371 PolarHBondContact ND1-OH 2.86Å; W366-Y371 AromaticContact CE3-CD2 3.63Å; W366-Y371 HydrophobicContact CE3-CD2 3.63Å; W366-Y371 AromaticContact CE3-CE2 3.64Å; W366-Y371 HydrophobicContact CE3-CE2 3.64Å; W366-Y371 HydrophobicContact CZ3-CD2 4.16Å; W366-Y371 AromaticContact CZ3-CE2 3.67Å; W366-Y371 HydrophobicContact CZ3-CE2 3.67Å; Y371-D373 PolarHBondContact O-N 2.9Å; Y371-V374 HydrophobicContact CD1-CG2 4.05Å; Y371-V374 PolarHBondContact O-N 3.41Å; Y371-F375 WeakPolarHBondContact O-CA 3.46Å; Y371-F375 VanDerWaalsContact O-CB 3.3Å; Y371-F375 WeakPolarHBondContact O-CB 3.24Å; Y371-F375 PolarHBondContact O-N 3.43Å |
| 372 | G | 97.6 | Very high | 97 | Very high | 48 Ų | 48 | 62.9 Ų | 62.9 | 50% | 0.495 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R367 | R367-G372 WeakPolarHBondContact O-CA 3.41Å; R367-G372 PolarHBondContact O-N 3.49Å |
| 373 | D | 97.9 | Very high | 96.7 | Very high | 137 Ų | 137 | 64.8 Ų | 64.8 | 73% | 0.733 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -37.4 | 178.2 | 61.5 | -32.1 | 0 | 0 | 0 | 113.4 | Y371 | Y371-D373 PolarHBondContact O-N 2.9Š|
| 374 | V | 97.9 | Very high | 96.6 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -12.3 | -178.8 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | Y371 Q376 L377 Y378 | Y371-V374 HydrophobicContact CD1-CG2 4.05Å; Y371-V374 PolarHBondContact O-N 3.41Å; V374-Q376 VanDerWaalsContact C-N 3.29Å; V374-Q376 PolarHBondContact O-N 3.43Å; V374-Q376 VanDerWaalsContact O-N 3.14Å; V374-L377 HydrophobicContact CB-CD1 4.39Å; V374-L377 VanDerWaalsContact O-CB 3.28Å; V374-L377 WeakPolarHBondContact O-CB 3.47Å; V374-L377 PolarHBondContact O-N 2.92Å; V374-Y378 HydrophobicContact CB-CE2 4.15Å; V374-Y378 HydrophobicContact CG2-CE2 4.03Å; V374-Y378 WeakPolarHBondContact O-CD2 3.49Å |
| 375 | F | 98.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 68.5 Ų | 68.5 | 1% | 0.013 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -51 | -45.1 | -169.7 | -177 | -98.3 | 0 | 0 | 0 | 113.4 | Q264 P265 T364 R367 Y371 L377 Y378 Y379 | Q264-F375 HydrophobicContact CG-CE2 4.12Å; P265-F375 HydrophobicContact CG-CD2 4.39Å; T364-F375 HydrophobicContact CG2-CE1 4.13Å; T364-F375 HydrophobicContact CG2-CZ 3.91Å; R367-F375 HydrophobicContact CB-CB 4.21Å; R367-F375 HydrophobicContact CB-CD1 3.9Å; R367-F375 HydrophobicContact CB-CD2 3.58Å; R367-F375 HydrophobicContact CB-CE1 4.17Å; R367-F375 HydrophobicContact CB-CE2 3.88Å; R367-F375 HydrophobicContact CB-CG 3.61Å; R367-F375 HydrophobicContact CB-CZ 4.18Å; R367-F375 HydrophobicContact CG-CB 3.94Å; R367-F375 HydrophobicContact CG-CD1 3.81Å; R367-F375 HydrophobicContact CG-CD2 4.22Å; R367-F375 HydrophobicContact CG-CE1 4.4Å; R367-F375 HydrophobicContact CG-CG 3.71Å; Y371-F375 WeakPolarHBondContact O-CA 3.46Å; Y371-F375 VanDerWaalsContact O-CB 3.3Å; Y371-F375 WeakPolarHBondContact O-CB 3.24Å; Y371-F375 PolarHBondContact O-N 3.43Å; F375-L377 PolarHBondContact O-N 2.82Å; F375-Y378 PolarHBondContact O-N 3.27Å; F375-Y379 HydrophobicContact CD1-CG 4.26Å; F375-Y379 VanDerWaalsContact CE1-CB 3.41Å; F375-Y379 AromaticContact CE1-CD1 3.71Å; F375-Y379 HydrophobicContact CE1-CD1 3.71Å; F375-Y379 AromaticContact CE1-CD2 3.8Å; F375-Y379 HydrophobicContact CE1-CD2 3.8Å; F375-Y379 HydrophobicContact CE1-CE1 4.41Å; F375-Y379 HydrophobicContact CE1-CE2 4.49Å; F375-Y379 AromaticContact CE1-CG 3.35Å; F375-Y379 HydrophobicContact CE1-CG 3.35Å; F375-Y379 HydrophobicContact CZ-CD1 4.31Å; F375-Y379 AromaticContact CZ-CD2 3.55Å; F375-Y379 HydrophobicContact CZ-CD2 3.55Å; F375-Y379 HydrophobicContact CZ-CE2 4.18Å; F375-Y379 AromaticContact CZ-CG 3.62Å; F375-Y379 HydrophobicContact CZ-CG 3.62Å; F375-Y379 WeakPolarHBondContact O-CB 3.23Å; F375-Y379 PolarHBondContact O-N 3.17Å |
| 376 | Q | 98.1 | Very high | 96.6 | Very high | 117 Ų | 117 | 68 Ų | 68 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.5 | -23 | -176.3 | -167.7 | 58.4 | 25.2 | 0 | 0 | 113.3 | V374 Y378 R380 | V374-Q376 VanDerWaalsContact C-N 3.29Å; V374-Q376 PolarHBondContact O-N 3.43Å; V374-Q376 VanDerWaalsContact O-N 3.14Å; Q376-Y378 VanDerWaalsContact C-N 3.29Å; Q376-R380 WeakPolarHBondContact O-CB 3.26Å; Q376-R380 PolarHBondContact O-N 2.95Å |
| 377 | L | 98.1 | Very high | 96.7 | Very high | 98 Ų | 98 | 67 Ų | 67 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.2 | -29.6 | 175.6 | -55.7 | 175 | 0 | 0 | 0 | 111.9 | P286 V374 F375 | P286-L377 HydrophobicContact CB-CB 3.65Å; P286-L377 HydrophobicContact CG-CB 3.8Å; P286-L377 HydrophobicContact CG-CD1 4.14Å; V374-L377 HydrophobicContact CB-CD1 4.39Å; V374-L377 VanDerWaalsContact O-CB 3.28Å; V374-L377 WeakPolarHBondContact O-CB 3.47Å; V374-L377 PolarHBondContact O-N 2.92Å; F375-L377 PolarHBondContact O-N 2.82Å |
| 378 | Y | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -88.1 | -42.6 | 175.6 | -63.3 | -98.1 | 0 | 0 | 0 | 111.1 | M263 P265 R268 G284 P286 P292 V374 F375 Q376 R380 | M263-Y378 CarbonylContact O-C 3.49Å; M263-Y378 WeakPolarHBondContact O-CB 3.33Å; P265-Y378 HydrophobicContact CB-CD1 4.33Å; P265-Y378 HydrophobicContact CB-CD2 3.85Å; P265-Y378 HydrophobicContact CB-CE1 4.22Å; P265-Y378 HydrophobicContact CB-CE2 3.74Å; P265-Y378 HydrophobicContact CB-CG 4.16Å; P265-Y378 HydrophobicContact CG-CD2 4.41Å; R268-Y378 VanDerWaalsContact CD-OH 3.25Å; R268-Y378 WeakPolarHBondContact CD-OH 3.38Å; R268-Y378 WeakPolarHBondContact CG-OH 3.32Å; R268-Y378 PolarHBondContact NH1-OH 2.9Å; G284-Y378 WeakPolarHBondContact O-CE1 3.3Å; G284-Y378 PolarHBondContact O-OH 2.84Å; P286-Y378 HydrophobicContact CB-CD1 4.08Å; P286-Y378 HydrophobicContact CB-CD2 3.93Å; P286-Y378 HydrophobicContact CB-CE1 3.93Å; P286-Y378 HydrophobicContact CB-CE2 3.76Å; P286-Y378 HydrophobicContact CB-CG 4.07Å; P286-Y378 WeakPolarHBondContact CD-OH 3.34Å; P286-Y378 HydrophobicContact CG-CE2 4.1Å; P292-Y378 HydrophobicContact CB-CD1 3.81Å; P292-Y378 HydrophobicContact CB-CE1 3.93Å; V374-Y378 HydrophobicContact CB-CE2 4.15Å; V374-Y378 HydrophobicContact CG2-CE2 4.03Å; V374-Y378 WeakPolarHBondContact O-CD2 3.49Å; F375-Y378 PolarHBondContact O-N 3.27Å; Q376-Y378 VanDerWaalsContact C-N 3.29Å; Y378-R380 VanDerWaalsContact C-N 3.3Å; Y378-R380 PolarHBondContact O-N 3Å |
| 379 | Y | 98.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 58.5 Ų | 58.5 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -79.2 | -9.1 | -169.1 | -167.1 | -111 | 0 | 0 | 0 | 114.2 | M263 R360 Q361 L362 T364 F375 C381 | M263-Y379 HydrophobicContact CB-CD2 4.37Å; M263-Y379 VanDerWaalsContact O-CA 3.23Å; M263-Y379 WeakPolarHBondContact O-CA 3.31Å; M263-Y379 PolarHBondContact O-N 2.87Å; R360-Y379 VanDerWaalsContact CZ-O 3.24Å; R360-Y379 PolarHBondContact NH1-O 2.94Å; R360-Y379 PolarHBondContact NH2-O 3.49Å; Q361-Y379 WeakPolarHBondContact O-CE2 3.44Å; L362-Y379 WeakPolarHBondContact CA-OH 3.23Å; L362-Y379 PolarHBondContact O-OH 3.42Å; T364-Y379 HydrophobicContact CG2-CE1 4.41Å; T364-Y379 HydrophobicContact CG2-CE2 4.24Å; F375-Y379 HydrophobicContact CD1-CG 4.26Å; F375-Y379 VanDerWaalsContact CE1-CB 3.41Å; F375-Y379 AromaticContact CE1-CD1 3.71Å; F375-Y379 HydrophobicContact CE1-CD1 3.71Å; F375-Y379 AromaticContact CE1-CD2 3.8Å; F375-Y379 HydrophobicContact CE1-CD2 3.8Å; F375-Y379 HydrophobicContact CE1-CE1 4.41Å; F375-Y379 HydrophobicContact CE1-CE2 4.49Å; F375-Y379 AromaticContact CE1-CG 3.35Å; F375-Y379 HydrophobicContact CE1-CG 3.35Å; F375-Y379 HydrophobicContact CZ-CD1 4.31Å; F375-Y379 AromaticContact CZ-CD2 3.55Å; F375-Y379 HydrophobicContact CZ-CD2 3.55Å; F375-Y379 HydrophobicContact CZ-CE2 4.18Å; F375-Y379 AromaticContact CZ-CG 3.62Å; F375-Y379 HydrophobicContact CZ-CG 3.62Å; F375-Y379 WeakPolarHBondContact O-CB 3.23Å; F375-Y379 PolarHBondContact O-N 3.17Å; Y379-C381 PolarHBondContact O-N 3.1Å |
| 380 | R | 97.1 | Very high | 97.1 | Very high | 159 Ų | 159 | 55.8 Ų | 55.8 | 60% | 0.6 | 31% | 0.312 | S | S | * | . | trans | -70.2 | 125.7 | 178.1 | -171 | 178.8 | -172.5 | 165.7 | 0.8 | 110.3 | Q376 Y378 E382 | Q376-R380 WeakPolarHBondContact O-CB 3.26Å; Q376-R380 PolarHBondContact O-N 2.95Å; Y378-R380 VanDerWaalsContact C-N 3.3Å; Y378-R380 PolarHBondContact O-N 3Å; R380-E382 HydrophobicContact CG-CG 4.08Å; R380-E382 IonicContact CZ-OE1 3.41Å; R380-E382 IonicContact NE-OE1 3.05Å; R380-E382 PolarHBondContact NE-OE1 2.92Å; R380-E382 IonicContact NH2-OE1 3.97Å; R380-E382 PolarHBondContact NH2-OE1 3.44Å | ||
| 381 | C | 97.1 | Very high | 97.2 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | trans | -125.6 | 121.4 | 165.5 | 175.2 | 0 | 0 | 0 | 0 | 108.1 | M263 C356 G357 Y379 | M263-C381 HydrophobicContact SD-CB 4.47Å; C356-C381 HydrophobicContact CB-CB 3.65Å; C356-C381 WeakPolarHBondContact CB-SG 3.28Å; C356-C381 WeakPolarHBondContact SG-CA 3.28Å; C356-C381 WeakPolarHBondContact SG-CB 3.3Å; C356-C381 CovalentContact SG-SG 2.03Å; C356-C381 PolarHBondContact SG-SG 3.37Å; G357-C381 PolarHBondContact N-SG 2.97Å; G357-C381 VanDerWaalsContact N-SG 3.45Å; Y379-C381 PolarHBondContact O-N 3.1Å | ||
| 382 | E | 89.9 | Confident | 97 | Very high | 130 Ų | 130 | 55 Ų | 55 | 61% | 0.607 | 30% | 0.3 | S | S | * | . | trans | -104.2 | 136.2 | 176.3 | -55.8 | -164.9 | 142.5 | 0 | 0 | 109 | R380 | R380-E382 HydrophobicContact CG-CG 4.08Å; R380-E382 IonicContact CZ-OE1 3.41Å; R380-E382 IonicContact NE-OE1 3.05Å; R380-E382 PolarHBondContact NE-OE1 2.92Å; R380-E382 IonicContact NH2-OE1 3.97Å; R380-E382 PolarHBondContact NH2-OE1 3.44Å | ||
| 383 | G | 90.3 | Very high | 96.8 | Very high | 55 Ų | 55 | 57 Ų | 57 | 57% | 0.567 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 115.6 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 384 | P | 96 | Very high | 96.7 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | trans | -63.5 | 144.3 | 178 | 28 | -36 | 0 | 0 | 0 | 111.1 | G357 Y386 | G357-P384 WeakPolarHBondContact CA-O 3.4Å; P384-Y386 HydrophobicContact CB-CE1 4.12Å; P384-Y386 HydrophobicContact CG-CE1 3.92Å; P384-Y386 HydrophobicContact CG-CE2 4.11Å; P384-Y386 VanDerWaalsContact CG-CZ 3.49Å; P384-Y386 WeakPolarHBondContact CG-OH 3.37Å | ||
| 385 | V | 97.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | trans | -94.7 | 120.1 | 172.1 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | R360 Y388 | R360-V385 HydrophobicContact CB-CG1 3.64Å; R360-V385 HydrophobicContact CB-CG2 4.22Å; R360-V385 HydrophobicContact CG-CG1 4.13Å; R360-V385 HydrophobicContact CG-CG2 3.99Å; V385-Y388 HydrophobicContact CB-CE1 4.36Å; V385-Y388 HydrophobicContact CB-CE2 4.33Å; V385-Y388 HydrophobicContact CG1-CD1 3.83Å; V385-Y388 HydrophobicContact CG1-CD2 3.89Å; V385-Y388 HydrophobicContact CG1-CE1 3.74Å; V385-Y388 HydrophobicContact CG1-CE2 3.79Å; V385-Y388 HydrophobicContact CG1-CG 3.91Å; V385-Y388 HydrophobicContact CG2-CE1 4.19Å | ||
| 386 | Y | 98.1 | Very high | 96.6 | Very high | 65 Ų | 65 | 58.4 Ų | 58.4 | 26% | 0.255 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -96.6 | -38.3 | 178.2 | -55.2 | -63.4 | 0 | 0 | 0 | 111.2 | R238 S239 G357 W358 P384 | R238-Y386 PolarHBondContact N-O 3.1Å; S239-Y386 WeakPolarHBondContact OG-CB 3.49Å; S239-Y386 WeakPolarHBondContact OG-CD1 3.41Å; G357-Y386 WeakPolarHBondContact O-CB 3.37Å; G357-Y386 PolarHBondContact O-N 3.25Å; W358-Y386 AromaticContact CD2-CD2 3.64Å; W358-Y386 HydrophobicContact CD2-CD2 3.64Å; W358-Y386 HydrophobicContact CD2-CE2 4.41Å; W358-Y386 HydrophobicContact CD2-CG 4.07Å; W358-Y386 AromaticContact CE2-CD2 3.75Å; W358-Y386 VanDerWaalsContact CE3-CB 3.47Å; W358-Y386 HydrophobicContact CE3-CD2 4.01Å; W358-Y386 AromaticContact CE3-CG 3.96Å; W358-Y386 HydrophobicContact CE3-CG 3.96Å; W358-Y386 AromaticContact CG-CD2 3.97Å; W358-Y386 HydrophobicContact CG-CD2 3.97Å; W358-Y386 HydrophobicContact CH2-CD2 4.48Å; W358-Y386 HydrophobicContact CH2-CG 4.19Å; W358-Y386 HydrophobicContact CZ2-CD2 4.19Å; W358-Y386 HydrophobicContact CZ2-CE2 4.48Å; W358-Y386 HydrophobicContact CZ2-CG 4.32Å; W358-Y386 HydrophobicContact CZ3-CD2 4.42Å; W358-Y386 HydrophobicContact CZ3-CG 4.02Å; P384-Y386 HydrophobicContact CB-CE1 4.12Å; P384-Y386 HydrophobicContact CG-CE1 3.92Å; P384-Y386 HydrophobicContact CG-CE2 4.11Å; P384-Y386 VanDerWaalsContact CG-CZ 3.49Å; P384-Y386 WeakPolarHBondContact CG-OH 3.37Å |
| 387 | I | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 121.8 | 178.6 | -54.1 | 179.1 | 0 | 0 | 0 | 108.3 | L235 K236 Y237 L244 V298 G357 W358 R360 | L235-I387 HydrophobicContact CB-CG2 3.91Å; L235-I387 HydrophobicContact CD1-CG2 4.11Å; L235-I387 HydrophobicContact CD2-CG2 4.03Å; L235-I387 HydrophobicContact CG-CG2 4.23Å; K236-I387 WeakPolarHBondContact O-CA 3.42Å; Y237-I387 HydrophobicContact CD1-CD1 3.9Å; Y237-I387 HydrophobicContact CD1-CG1 3.95Å; Y237-I387 HydrophobicContact CE1-CD1 3.79Å; Y237-I387 HydrophobicContact CE1-CG1 4.3Å; L244-I387 HydrophobicContact CD2-CD1 4.22Å; V298-I387 HydrophobicContact CG2-CD1 4.36Å; G357-I387 PolarHBondContact O-N 3.5Å; W358-I387 HydrophobicContact CE3-CD1 4.13Å; W358-I387 HydrophobicContact CE3-CG1 4.26Å; W358-I387 WeakPolarHBondContact O-CB 3.31Å; R360-I387 WeakPolarHBondContact CB-O 3.47Å; R360-I387 PolarHBondContact N-O 2.95Å |
| 388 | Y | 98.8 | Very high | 95.8 | Very high | 50 Ų | 50 | 58.3 Ų | 58.3 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 142.7 | 165.2 | -77 | -70.6 | 0 | 0 | 0 | 110.1 | L235 K236 R238 R360 L362 V385 I396 | L235-Y388 CarbonylContact C-O 3.5Å; L235-Y388 VanDerWaalsContact CA-O 3.25Å; L235-Y388 WeakPolarHBondContact CA-O 3.39Å; K236-Y388 PolarHBondContact N-O 2.95Å; K236-Y388 PolarHBondContact O-N 3.29Å; R238-Y388 HydrophobicContact CG-CD2 4Å; R238-Y388 HydrophobicContact CG-CE2 4.11Å; R360-Y388 HydrophobicContact CB-CD1 4.12Å; R360-Y388 HydrophobicContact CG-CD1 3.88Å; R360-Y388 HydrophobicContact CG-CE1 3.93Å; L362-Y388 HydrophobicContact CD1-CD1 4.12Å; L362-Y388 HydrophobicContact CD2-CD1 3.83Å; L362-Y388 HydrophobicContact CD2-CE1 4.17Å; L362-Y388 HydrophobicContact CG-CD1 4.2Å; V385-Y388 HydrophobicContact CB-CE1 4.36Å; V385-Y388 HydrophobicContact CB-CE2 4.33Å; V385-Y388 HydrophobicContact CG1-CD1 3.83Å; V385-Y388 HydrophobicContact CG1-CD2 3.89Å; V385-Y388 HydrophobicContact CG1-CE1 3.74Å; V385-Y388 HydrophobicContact CG1-CE2 3.79Å; V385-Y388 HydrophobicContact CG1-CG 3.91Å; V385-Y388 HydrophobicContact CG2-CE1 4.19Å; Y388-I396 HydrophobicContact CD2-CG2 4.32Å; Y388-I396 HydrophobicContact CG-CG2 4.09Å |
| 389 | H | 98.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 1% | 0.014 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 108.9 | 176.5 | -179.3 | -174.7 | 0 | 0 | 0 | 109.8 | D232 D234 L235 N295 N359 R360 L362 N391 | D232-H389 IonicContact OD2-CE1 3.39Å; D232-H389 PolarHBondContact OD2-CE1 3Å; D232-H389 VanDerWaalsContact OD2-CE1 3.29Å; D232-H389 IonicContact OD2-NE2 2.9Å; D232-H389 PolarHBondContact OD2-NE2 3.23Å; D234-H389 IonicContact OD1-CD2 3.41Å; D234-H389 PolarHBondContact OD1-CD2 3.16Å; D234-H389 IonicContact OD1-NE2 3.77Å; D234-H389 PolarHBondContact OD1-NE2 3.36Å; L235-H389 HydrophobicContact CD2-CB 3.55Å; N295-H389 PolarHBondContact OD1-CE1 2.8Å; N295-H389 VanDerWaalsContact OD1-CE1 3.31Å; N295-H389 PolarHBondContact OD1-ND1 2.87Å; N359-H389 VanDerWaalsContact OD1-CB 3.22Å; N359-H389 WeakPolarHBondContact OD1-CB 3.31Å; N359-H389 PolarHBondContact OD1-ND1 3.32Å; R360-H389 PolarHBondContact O-N 2.96Å; L362-H389 WeakPolarHBondContact CB-O 3.37Å; L362-H389 WeakPolarHBondContact CG-O 3.17Å; L362-H389 PolarHBondContact N-O 2.94Å; H389-N391 PolarHBondContact CD2-N 3.29Å; H389-N391 WeakPolarHBondContact NE2-CB 3.3Å; H389-N391 PolarHBondContact O-N 3.46Å; H389-N391 PolarHBondContact O-OD1 3.41Å |
| 390 | G | 98.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | trans | -76.9 | 38.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D234 N393 T394 | D234-G390 PolarHBondContact O-N 3.44Å; G390-N393 PolarHBondContact O-N 2.94Å; G390-T394 VanDerWaalsContact CA-O 3.31Å; G390-T394 WeakPolarHBondContact CA-O 3.35Å; G390-T394 PolarHBondContact O-N 3.01Å; G390-T394 VanDerWaalsContact O-N 3.1Å | ||
| 391 | N | 96.9 | Very high | 94.1 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -56.9 | 155.9 | -176.9 | 63.3 | -40.3 | 0 | 0 | 0 | 111.9 | L362 C363 H389 N393 T394 | L362-N391 PolarHBondContact N-OD1 3.01Å; L362-N391 VanDerWaalsContact N-OD1 3.08Å; C363-N391 HydrophobicContact CB-CB 4.44Å; C363-N391 VanDerWaalsContact CB-CG 3.4Å; C363-N391 WeakPolarHBondContact CB-ND2 3.45Å; C363-N391 VanDerWaalsContact CB-OD1 3.32Å; C363-N391 WeakPolarHBondContact CB-OD1 3.38Å; C363-N391 PolarHBondContact N-OD1 3.48Å; H389-N391 PolarHBondContact CD2-N 3.29Å; H389-N391 WeakPolarHBondContact NE2-CB 3.3Å; H389-N391 PolarHBondContact O-N 3.46Å; H389-N391 PolarHBondContact O-OD1 3.41Å; N391-N393 PolarHBondContact O-N 3.08Å; N391-T394 WeakPolarHBondContact O-CB 3.46Å; N391-T394 PolarHBondContact O-N 3.5Å; N391-T394 VanDerWaalsContact O-N 3.13Å; N391-T394 PolarHBondContact O-OG1 2.94Å |
| 392 | C | 93.6 | Very high | 94 | Very high | 70 Ų | 70 | 62.6 Ų | 62.6 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | 54.5 | 29.4 | -172.5 | 83 | 0 | 0 | 0 | 0 | 114.5 | C363 T394 | C363-C392 VanDerWaalsContact CA-SG 3.52Å; C363-C392 HydrophobicContact CB-CB 3.93Å; C363-C392 WeakPolarHBondContact CB-SG 3.3Å; C363-C392 WeakPolarHBondContact SG-CB 3.45Å; C363-C392 CovalentContact SG-SG 2.03Å; C363-C392 PolarHBondContact SG-SG 3.36Å; C392-T394 VanDerWaalsContact C-N 3.28Å; C392-T394 PolarHBondContact O-N 3.17Å; C392-T394 PolarHBondContact SG-OG1 3.07Å; C392-T394 VanDerWaalsContact SG-OG1 3.34Å |
| 393 | N | 94.5 | Very high | 94.2 | Very high | 89 Ų | 89 | 58.6 Ų | 58.6 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | 63 | 30.6 | -176.8 | -53 | -63.7 | 0 | 0 | 0 | 113.7 | K124 G390 N391 | K124-N393 WeakPolarHBondContact CE-OD1 3.22Å; K124-N393 PolarHBondContact NZ-OD1 3.45Å; G390-N393 PolarHBondContact O-N 2.94Å; N391-N393 PolarHBondContact O-N 3.08Å |
| 394 | T | 96.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 58.8 Ų | 58.8 | 22% | 0.221 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 127.3 | 176.4 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | L362 C363 G390 N391 C392 I396 | L362-T394 HydrophobicContact CB-CG2 3.75Å; C363-T394 WeakPolarHBondContact CA-OG1 3.37Å; G390-T394 VanDerWaalsContact CA-O 3.31Å; G390-T394 WeakPolarHBondContact CA-O 3.35Å; G390-T394 PolarHBondContact O-N 3.01Å; G390-T394 VanDerWaalsContact O-N 3.1Å; N391-T394 WeakPolarHBondContact O-CB 3.46Å; N391-T394 PolarHBondContact O-N 3.5Å; N391-T394 VanDerWaalsContact O-N 3.13Å; N391-T394 PolarHBondContact O-OG1 2.94Å; C392-T394 VanDerWaalsContact C-N 3.28Å; C392-T394 PolarHBondContact O-N 3.17Å; C392-T394 PolarHBondContact SG-OG1 3.07Å; C392-T394 VanDerWaalsContact SG-OG1 3.34Å; T394-I396 PolarHBondContact O-N 3.44Å |
| 395 | P | 96.4 | Very high | 94.3 | Very high | 112 Ų | 112 | 57.4 Ų | 57.4 | 73% | 0.727 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 131.4 | 173.7 | -24.7 | 34.6 | 0 | 0 | 0 | 111.1 | ||
| 396 | I | 97.5 | Very high | 94.1 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 133.1 | 175.7 | -56.1 | 177.4 | 0 | 0 | 0 | 108.2 | D234 K236 L362 Y388 T394 | D234-I396 WeakPolarHBondContact O-CD1 3.35Å; K236-I396 HydrophobicContact CB-CD1 3.81Å; K236-I396 HydrophobicContact CB-CG2 3.8Å; K236-I396 HydrophobicContact CD-CG2 3.62Å; K236-I396 HydrophobicContact CG-CG2 4.35Å; L362-I396 HydrophobicContact CD1-CB 4.24Å; L362-I396 HydrophobicContact CD1-CG1 4.06Å; L362-I396 HydrophobicContact CD1-CG2 4.2Å; Y388-I396 HydrophobicContact CD2-CG2 4.32Å; Y388-I396 HydrophobicContact CG-CG2 4.09Å; T394-I396 PolarHBondContact O-N 3.44Å |
| 397 | P | 93.3 | Very high | 93.8 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 143 | 175.8 | -25.7 | 33.9 | 0 | 0 | 0 | 112.9 | K236 | K236-P397 PolarHBondContact NZ-O 3Š|
| 398 | D | 86.6 | Confident | 93.4 | Very high | 149 Ų | 149 | 63 Ų | 63 | 80% | 0.797 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 170.8 | 166.2 | -71.4 | -38.7 | 0 | 0 | 0 | 111.4 | ||
| 399 | D | 69.5 | Low | 92.9 | Very high | 125 Ų | 125 | 64.2 Ų | 64.2 | 67% | 0.668 | 37% | 0.373 | S | S | * | . | trans | -67.1 | 0 | -169.3 | -84.5 | -1.4 | 0 | 0 | 0 | 115.7 | K134 Y135 K236 R238 | K134-D399 IonicContact NZ-OD2 3.44Å; K134-D399 PolarHBondContact NZ-OD2 3Å; Y135-D399 PolarHBondContact OH-OD2 3.02Å; K236-D399 WeakPolarHBondContact CE-OD1 3.36Å; K236-D399 IonicContact NZ-OD1 2.84Å; K236-D399 PolarHBondContact NZ-OD1 3.48Å; R238-D399 IonicContact CZ-OD1 3.57Å; R238-D399 IonicContact NE-OD1 3.97Å; R238-D399 VanDerWaalsContact NH1-CA 3.29Å; R238-D399 IonicContact NH1-OD1 2.72Å; R238-D399 PolarHBondContact NH1-OD1 3.23Å; R238-D399 PolarHBondContact NH1-OXT 3.45Å |
Retrieved 399 of 399 residues in 3221.5 ms
(Link to these results)