| 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 | 40.1 | Very low | 50.7 | Low | 226 Ų | 226 | 139.1 Ų | 139.1 | 100% | 1.113 | 68% | 0.675 | S | S | * | * | 0 | 103.1 | 0 | -77.1 | 173.6 | 174.7 | 0 | 0 | 108.4 | Y3 | M1-Y3 PolarHBondContact O-N 3.31Š| |||
| 2 | R | 41 | Very low | 52.1 | Low | 242 Ų | 242 | 131.9 Ų | 131.9 | 91% | 0.913 | 65% | 0.646 | S | S | * | * | trans | -80.4 | 109 | 170.6 | -81.6 | 179.6 | 166.5 | 178.7 | -4.8 | 107.2 | N4 | R2-N4 PolarHBondContact O-N 2.96Å; R2-N4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | Y | 46.5 | Very low | 53.4 | Low | 215 Ų | 215 | 128 Ų | 128 | 84% | 0.843 | 63% | 0.634 | S | S | * | * | trans | -72.1 | 101.4 | 172.6 | -97.2 | -93 | 0 | 0 | 0 | 108.5 | M1 L5 | M1-Y3 PolarHBondContact O-N 3.31Å; Y3-L5 PolarHBondContact O-N 3.11Å | ||
| 4 | N | 48.2 | Very low | 54.6 | Low | 145 Ų | 145 | 130.5 Ų | 130.5 | 78% | 0.775 | 63% | 0.634 | S | S | * | * | trans | -71.9 | 105.6 | 163.7 | -75.2 | -26.7 | 0 | 0 | 0 | 107.1 | R2 L6 | R2-N4 PolarHBondContact O-N 2.96Å; R2-N4 VanDerWaalsContact O-N 3.14Å; N4-L6 PolarHBondContact O-N 3.25Å; N4-L6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | L | 46 | Very low | 55.4 | Low | 133 Ų | 133 | 126 Ų | 126 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | trans | -61.4 | 112.4 | 170.3 | -142.2 | 88.5 | 0 | 0 | 0 | 107.4 | Y3 F7 | Y3-L5 PolarHBondContact O-N 3.11Å; L5-F7 PolarHBondContact O-N 2.76Å | ||
| 6 | L | 52.3 | Low | 56.3 | Low | 137 Ų | 137 | 122.3 Ų | 122.3 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | trans | -57 | 123.7 | 179.7 | -85.8 | 143.8 | 0 | 0 | 0 | 109.8 | N4 G8 Q9 | N4-L6 PolarHBondContact O-N 3.25Å; N4-L6 VanDerWaalsContact O-N 3.09Å; L6-G8 PolarHBondContact O-N 2.91Å; L6-Q9 PolarHBondContact O-N 3.13Å | ||
| 7 | F | 54.3 | Low | 56.9 | Low | 169 Ų | 169 | 120.8 Ų | 120.8 | 74% | 0.741 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -46.4 | -29.5 | -178 | -164 | -101.4 | 0 | 0 | 0 | 114 | L5 S10 I11 | L5-F7 PolarHBondContact O-N 2.76Å; F7-S10 PolarHBondContact O-N 3.03Å; F7-S10 PolarHBondContact O-OG 3.29Å; F7-S10 VanDerWaalsContact O-OG 3.1Å; F7-I11 HydrophobicContact CD1-CD1 3.94Å; F7-I11 HydrophobicContact CE1-CD1 3.98Å |
| 8 | G | 54.5 | Low | 57.3 | Low | 48 Ų | 48 | 121.2 Ų | 121.2 | 50% | 0.495 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.9 | -28 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L6 | L6-G8 PolarHBondContact O-N 2.91Å |
| 9 | Q | 51.7 | Low | 57.4 | Low | 92 Ų | 92 | 120.4 Ų | 120.4 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -77.7 | -26 | 176.7 | -71.4 | -167.1 | -9.1 | 0 | 0 | 112.6 | L6 T12 V13 | L6-Q9 PolarHBondContact O-N 3.13Å; Q9-T12 PolarHBondContact O-OG1 2.73Å; Q9-T12 VanDerWaalsContact O-OG1 3.12Å; Q9-V13 VanDerWaalsContact O-CG2 3.32Å; Q9-V13 WeakPolarHBondContact O-CG2 3.33Å; Q9-V13 PolarHBondContact O-N 2.96Å |
| 10 | S | 56.8 | Low | 57.6 | Low | 36 Ų | 36 | 119.1 Ų | 119.1 | 25% | 0.252 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.1 | -42.7 | 175.2 | 82.6 | 0 | 0 | 0 | 0 | 110.3 | F7 T12 V13 Y14 | F7-S10 PolarHBondContact O-N 3.03Å; F7-S10 PolarHBondContact O-OG 3.29Å; F7-S10 VanDerWaalsContact O-OG 3.1Å; S10-T12 VanDerWaalsContact C-N 3.34Å; S10-T12 PolarHBondContact O-N 2.88Å; S10-V13 PolarHBondContact O-N 3.12Å; S10-Y14 WeakPolarHBondContact O-CB 3.32Å; S10-Y14 WeakPolarHBondContact O-CD2 3.44Å; S10-Y14 PolarHBondContact O-N 3.18Å |
| 11 | I | 66.6 | Low | 57.6 | Low | 87 Ų | 87 | 116.3 Ų | 116.3 | 45% | 0.446 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.6 | -43.1 | -177.9 | -64.3 | 169.3 | 0 | 0 | 0 | 111.8 | F7 S15 | F7-I11 HydrophobicContact CD1-CD1 3.94Å; F7-I11 HydrophobicContact CE1-CD1 3.98Å; I11-S15 WeakPolarHBondContact O-CB 3.28Å; I11-S15 PolarHBondContact O-N 2.77Å; I11-S15 PolarHBondContact O-OG 3.28Å |
| 12 | T | 67.2 | Low | 58.3 | Low | 53 Ų | 53 | 114 Ų | 114 | 33% | 0.325 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.5 | -41.4 | 179.1 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | Q9 S10 S15 I16 | Q9-T12 PolarHBondContact O-OG1 2.73Å; Q9-T12 VanDerWaalsContact O-OG1 3.12Å; S10-T12 VanDerWaalsContact C-N 3.34Å; S10-T12 PolarHBondContact O-N 2.88Å; T12-S15 PolarHBondContact O-N 3.2Å; T12-I16 VanDerWaalsContact O-CG1 3.3Å; T12-I16 WeakPolarHBondContact O-CG1 3.29Å; T12-I16 PolarHBondContact O-N 2.75Å |
| 13 | V | 68.6 | Low | 58.7 | Low | 81 Ų | 81 | 110.6 Ų | 110.6 | 49% | 0.491 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 175.4 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | Q9 S10 S15 I16 I17 | Q9-V13 VanDerWaalsContact O-CG2 3.32Å; Q9-V13 WeakPolarHBondContact O-CG2 3.33Å; Q9-V13 PolarHBondContact O-N 2.96Å; S10-V13 PolarHBondContact O-N 3.12Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 3.43Å; V13-I16 PolarHBondContact O-N 2.62Å; V13-I17 HydrophobicContact CG1-CD1 3.71Å; V13-I17 HydrophobicContact CG1-CG1 4.41Å; V13-I17 VanDerWaalsContact O-CG1 3.3Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 2.92Å |
| 14 | Y | 70.8 | Confident | 59 | Low | 163 Ų | 163 | 105.9 Ų | 105.9 | 64% | 0.639 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.7 | -40.7 | 175.2 | -78.5 | -65.9 | 0 | 0 | 0 | 112.3 | S10 I16 I17 F18 | S10-Y14 WeakPolarHBondContact O-CB 3.32Å; S10-Y14 WeakPolarHBondContact O-CD2 3.44Å; S10-Y14 PolarHBondContact O-N 3.18Å; Y14-I16 PolarHBondContact O-N 3.22Å; Y14-I17 PolarHBondContact O-N 2.89Å; Y14-F18 WeakPolarHBondContact O-CB 3.04Å; Y14-F18 PolarHBondContact O-N 2.6Å |
| 15 | S | 65.8 | Low | 59.6 | Low | 63 Ų | 63 | 107.3 Ų | 107.3 | 44% | 0.441 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 177.3 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | I11 T12 V13 F18 M19 | I11-S15 WeakPolarHBondContact O-CB 3.28Å; I11-S15 PolarHBondContact O-N 2.77Å; I11-S15 PolarHBondContact O-OG 3.28Å; T12-S15 PolarHBondContact O-N 3.2Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 3.43Å; S15-F18 PolarHBondContact O-N 3.03Å; S15-M19 WeakPolarHBondContact O-CB 3.49Å; S15-M19 WeakPolarHBondContact O-CG 3.35Å; S15-M19 PolarHBondContact O-N 2.95Å |
| 16 | I | 70 | Confident | 60.7 | Low | 67 Ų | 67 | 104.9 Ų | 104.9 | 34% | 0.344 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -46.3 | 177.4 | -67.5 | 165.8 | 0 | 0 | 0 | 110.8 | T12 V13 Y14 F18 M19 I20 V386 V390 | T12-I16 VanDerWaalsContact O-CG1 3.3Å; T12-I16 WeakPolarHBondContact O-CG1 3.29Å; T12-I16 PolarHBondContact O-N 2.75Å; V13-I16 PolarHBondContact O-N 2.62Å; Y14-I16 PolarHBondContact O-N 3.22Å; I16-F18 VanDerWaalsContact C-N 3.33Å; I16-F18 PolarHBondContact O-N 2.69Å; I16-M19 PolarHBondContact O-N 3.34Å; I16-I20 HydrophobicContact CG2-CD1 3.75Å; I16-I20 HydrophobicContact CG2-CG1 4.45Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.2Å; I16-I20 PolarHBondContact O-N 3.43Å; I16-V386 HydrophobicContact CD1-CG1 4.43Å; I16-V390 HydrophobicContact CD1-CG2 4.41Å |
| 17 | I | 67.4 | Low | 62 | Low | 96 Ų | 96 | 100.7 Ų | 100.7 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 177.3 | -67.6 | 169.3 | 0 | 0 | 0 | 110.4 | V13 Y14 I20 S21 | V13-I17 HydrophobicContact CG1-CD1 3.71Å; V13-I17 HydrophobicContact CG1-CG1 4.41Å; V13-I17 VanDerWaalsContact O-CG1 3.3Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 2.92Å; Y14-I17 PolarHBondContact O-N 2.89Å; I17-I20 PolarHBondContact O-N 3.01Å; I17-S21 WeakPolarHBondContact O-CB 3.21Å; I17-S21 PolarHBondContact O-N 2.68Å; I17-S21 PolarHBondContact O-OG 3.2Å |
| 18 | F | 63.4 | Low | 63.4 | Low | 129 Ų | 129 | 97.7 Ų | 97.7 | 57% | 0.566 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 176.5 | -175.8 | -100.9 | 0 | 0 | 0 | 111.4 | Y14 S15 I16 I20 S21 R22 | Y14-F18 WeakPolarHBondContact O-CB 3.04Å; Y14-F18 PolarHBondContact O-N 2.6Å; S15-F18 PolarHBondContact O-N 3.03Å; I16-F18 VanDerWaalsContact C-N 3.33Å; I16-F18 PolarHBondContact O-N 2.69Å; F18-I20 PolarHBondContact O-N 3.15Å; F18-S21 WeakPolarHBondContact CA-OG 2.88Å; F18-S21 PolarHBondContact O-N 3.29Å; F18-S21 PolarHBondContact O-OG 3.19Å; F18-R22 WeakPolarHBondContact O-CB 3.05Å; F18-R22 PolarHBondContact O-N 2.88Å |
| 19 | M | 59.8 | Low | 64.9 | Low | 106 Ų | 106 | 95.5 Ų | 95.5 | 52% | 0.522 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 175 | -73.2 | -76.5 | -84.9 | 0 | 0 | 111.8 | S15 I16 S21 R22 F23 | S15-M19 WeakPolarHBondContact O-CB 3.49Å; S15-M19 WeakPolarHBondContact O-CG 3.35Å; S15-M19 PolarHBondContact O-N 2.95Å; I16-M19 PolarHBondContact O-N 3.34Å; M19-S21 PolarHBondContact O-N 3.3Å; M19-R22 WeakPolarHBondContact O-CB 3.44Å; M19-R22 PolarHBondContact O-N 3.03Å; M19-F23 WeakPolarHBondContact O-CD2 3.49Å; M19-F23 PolarHBondContact O-N 3.44Å |
| 20 | I | 60.8 | Low | 66.5 | Low | 93 Ų | 93 | 92.7 Ų | 92.7 | 48% | 0.477 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 178.2 | -66.8 | 167.2 | 0 | 0 | 0 | 111.1 | I16 I17 F18 R22 F23 I24 | I16-I20 HydrophobicContact CG2-CD1 3.75Å; I16-I20 HydrophobicContact CG2-CG1 4.45Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.2Å; I16-I20 PolarHBondContact O-N 3.43Å; I17-I20 PolarHBondContact O-N 3.01Å; F18-I20 PolarHBondContact O-N 3.15Å; I20-R22 VanDerWaalsContact C-N 3.3Å; I20-R22 PolarHBondContact O-N 2.97Å; I20-F23 WeakPolarHBondContact O-CB 3.48Å; I20-F23 PolarHBondContact O-N 3.29Å; I20-F23 VanDerWaalsContact O-N 3.11Å; I20-I24 HydrophobicContact CG2-CD1 3.87Å; I20-I24 WeakPolarHBondContact O-CG1 3.42Å; I20-I24 PolarHBondContact O-N 3.4Å; I20-I24 VanDerWaalsContact O-N 3.14Å |
| 21 | S | 57.9 | Low | 67.8 | Low | 61 Ų | 61 | 95.7 Ų | 95.7 | 43% | 0.427 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 177.6 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | I17 F18 M19 F23 I24 | I17-S21 WeakPolarHBondContact O-CB 3.21Å; I17-S21 PolarHBondContact O-N 2.68Å; I17-S21 PolarHBondContact O-OG 3.2Å; F18-S21 WeakPolarHBondContact CA-OG 2.88Å; F18-S21 PolarHBondContact O-N 3.29Å; F18-S21 PolarHBondContact O-OG 3.19Å; M19-S21 PolarHBondContact O-N 3.3Å; S21-F23 PolarHBondContact O-N 2.91Å; S21-I24 CarbonylContact O-C 3.57Å; S21-I24 VanDerWaalsContact O-C 3.24Å; S21-I24 PolarHBondContact O-N 3.16Å |
| 22 | R | 54 | Low | 68.8 | Low | 177 Ų | 177 | 96 Ų | 96 | 67% | 0.668 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.7 | -30.1 | 175.8 | -161.4 | 177.5 | 174.5 | 177 | 0.2 | 112.3 | F18 M19 I20 | F18-R22 WeakPolarHBondContact O-CB 3.05Å; F18-R22 PolarHBondContact O-N 2.88Å; M19-R22 WeakPolarHBondContact O-CB 3.44Å; M19-R22 PolarHBondContact O-N 3.03Å; I20-R22 VanDerWaalsContact C-N 3.3Å; I20-R22 PolarHBondContact O-N 2.97Å |
| 23 | F | 49.5 | Very low | 69.6 | Low | 172 Ų | 172 | 97.9 Ų | 97.9 | 75% | 0.754 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -78.9 | -18.6 | 172.2 | -75.7 | -70.2 | 0 | 0 | 0 | 113.9 | M19 I20 S21 | M19-F23 WeakPolarHBondContact O-CD2 3.49Å; M19-F23 PolarHBondContact O-N 3.44Å; I20-F23 WeakPolarHBondContact O-CB 3.48Å; I20-F23 PolarHBondContact O-N 3.29Å; I20-F23 VanDerWaalsContact O-N 3.11Å; S21-F23 PolarHBondContact O-N 2.91Å |
| 24 | I | 54.1 | Low | 70.4 | Confident | 116 Ų | 116 | 99.9 Ų | 99.9 | 60% | 0.595 | 50% | 0.496 | S | S | * | . | trans | -112 | 61 | 178.7 | -49.2 | 170.7 | 0 | 0 | 0 | 108.9 | I20 S21 C26 | I20-I24 HydrophobicContact CG2-CD1 3.87Å; I20-I24 WeakPolarHBondContact O-CG1 3.42Å; I20-I24 PolarHBondContact O-N 3.4Å; I20-I24 VanDerWaalsContact O-N 3.14Å; S21-I24 CarbonylContact O-C 3.57Å; S21-I24 VanDerWaalsContact O-C 3.24Å; S21-I24 PolarHBondContact O-N 3.16Å; I24-C26 PolarHBondContact O-N 2.87Å | ||
| 25 | K | 59.9 | Low | 71.2 | Confident | 175 Ų | 175 | 93.2 Ų | 93.2 | 76% | 0.761 | 47% | 0.471 | S | S | * | . | trans | -73 | 84.7 | 159.9 | -75.7 | -171.6 | 178.2 | -174.4 | 0 | 108.2 | N27 | K25-N27 PolarHBondContact O-N 2.77Š| ||
| 26 | C | 68.9 | Low | 72.2 | Confident | 82 Ų | 82 | 94.5 Ų | 94.5 | 55% | 0.554 | 47% | 0.469 | S | S | * | . | trans | -81 | 111.3 | 168 | -163.2 | 0 | 0 | 0 | 0 | 107.8 | I24 | I24-C26 PolarHBondContact O-N 2.87Š| ||
| 27 | N | 80.1 | Confident | 72.9 | Confident | 49 Ų | 49 | 96.3 Ų | 96.3 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | trans | -68.9 | 131.6 | 173.2 | -72.7 | -55.9 | 0 | 0 | 0 | 109.2 | K25 I29 C30 I191 | K25-N27 PolarHBondContact O-N 2.77Å; N27-I29 HydrophobicContact CB-CG2 4.09Å; N27-I29 PolarHBondContact O-N 3.11Å; N27-I29 VanDerWaalsContact O-N 3.14Å; N27-C30 WeakPolarHBondContact O-CB 3.24Å; N27-C30 PolarHBondContact O-N 3.49Å; N27-C30 PolarHBondContact O-SG 3.19Å; N27-C30 VanDerWaalsContact O-SG 3.38Å; N27-I191 HydrophobicContact CB-CG2 3.61Å; N27-I191 WeakPolarHBondContact ND2-CG2 3.43Å | ||
| 28 | E | 83.4 | Confident | 74 | Confident | 105 Ų | 105 | 95.6 Ų | 95.6 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -57.4 | -34.3 | -174.1 | -66.4 | -172.9 | -170.5 | 0 | 0 | 112.9 | C30 T31 K32 L35 Y54 | E28-C30 PolarHBondContact O-N 3.06Å; E28-C30 VanDerWaalsContact O-N 3.08Å; E28-T31 PolarHBondContact O-N 3.43Å; E28-T31 PolarHBondContact O-OG1 2.85Å; E28-K32 PolarHBondContact O-N 3.45Å; E28-L35 HydrophobicContact CB-CD1 3.77Å; E28-Y54 HydrophobicContact CB-CE2 4.37Å; E28-Y54 PolarHBondContact N-OH 2.61Å |
| 29 | I | 85.8 | Confident | 75.4 | Confident | 2 Ų | 2 | 92.7 Ų | 92.7 | 1% | 0.01 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -57 | -24.4 | 176 | -164.7 | 167.4 | 0 | 0 | 0 | 113.4 | N27 T31 L35 K36 Y54 I191 K200 A202 | N27-I29 HydrophobicContact CB-CG2 4.09Å; N27-I29 PolarHBondContact O-N 3.11Å; N27-I29 VanDerWaalsContact O-N 3.14Å; I29-T31 PolarHBondContact O-N 2.89Å; I29-L35 HydrophobicContact CB-CB 4.33Å; I29-L35 HydrophobicContact CG1-CB 4.16Å; I29-K36 HydrophobicContact CD1-CB 4.25Å; I29-Y54 HydrophobicContact CB-CD2 4.47Å; I29-Y54 HydrophobicContact CB-CE1 4.05Å; I29-Y54 HydrophobicContact CB-CE2 3.86Å; I29-Y54 HydrophobicContact CD1-CD1 4.21Å; I29-Y54 HydrophobicContact CD1-CE1 4.34Å; I29-Y54 HydrophobicContact CG2-CE1 4.01Å; I29-Y54 HydrophobicContact CG2-CE2 4.49Å; I29-I191 HydrophobicContact CD1-CD1 4.22Å; I29-I191 HydrophobicContact CG2-CB 4.27Å; I29-I191 HydrophobicContact CG2-CD1 3.82Å; I29-I191 HydrophobicContact CG2-CG2 3.85Å; I29-K200 HydrophobicContact CD1-CB 4.47Å; I29-K200 HydrophobicContact CG1-CB 4.31Å; I29-K200 HydrophobicContact CG2-CB 4.38Å; I29-A202 HydrophobicContact CD1-CB 3.81Å |
| 30 | C | 85.5 | Confident | 77 | Confident | 34 Ų | 34 | 90.8 Ų | 90.8 | 23% | 0.23 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -67.7 | -24.5 | 176.2 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | N27 E28 C193 | N27-C30 WeakPolarHBondContact O-CB 3.24Å; N27-C30 PolarHBondContact O-N 3.49Å; N27-C30 PolarHBondContact O-SG 3.19Å; N27-C30 VanDerWaalsContact O-SG 3.38Å; E28-C30 PolarHBondContact O-N 3.06Å; E28-C30 VanDerWaalsContact O-N 3.08Å; C30-C193 WeakPolarHBondContact CA-SG 3.1Å; C30-C193 HydrophobicContact CB-CB 3.62Å; C30-C193 WeakPolarHBondContact CB-SG 3.48Å; C30-C193 WeakPolarHBondContact SG-CA 3.42Å; C30-C193 WeakPolarHBondContact SG-CB 2.99Å; C30-C193 CovalentContact SG-SG 2.03Å; C30-C193 PolarHBondContact SG-SG 3.15Å |
| 31 | T | 85 | Confident | 78.5 | Confident | 99 Ų | 99 | 89.3 Ų | 89.3 | 61% | 0.607 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -21.9 | 177.8 | 57 | 0 | 0 | 0 | 0 | 113.2 | E28 I29 | E28-T31 PolarHBondContact O-N 3.43Å; E28-T31 PolarHBondContact O-OG1 2.85Å; I29-T31 PolarHBondContact O-N 2.89Å |
| 32 | K | 86.9 | Confident | 80 | Confident | 93 Ų | 93 | 87.1 Ų | 87.1 | 40% | 0.404 | 43% | 0.433 | S | S | . | . | trans | -124.9 | 84.2 | -174 | -70.2 | -176.5 | -176.3 | 174.4 | 0 | 110.2 | E28 E34 L35 | E28-K32 PolarHBondContact O-N 3.45Å; K32-E34 VanDerWaalsContact CA-OE2 3.31Å; K32-E34 WeakPolarHBondContact CA-OE2 3.33Å; K32-E34 WeakPolarHBondContact CB-OE1 3.21Å; K32-E34 WeakPolarHBondContact CG-OE1 3.26Å; K32-E34 PolarHBondContact O-N 3.22Å; K32-L35 HydrophobicContact CB-CD1 3.76Å; K32-L35 HydrophobicContact CB-CG 3.87Å; K32-L35 HydrophobicContact CD-CD1 4.14Å; K32-L35 WeakPolarHBondContact O-CB 3.4Å; K32-L35 PolarHBondContact O-N 2.92Å; K32-L35 VanDerWaalsContact O-N 3.09Å | ||
| 33 | P | 83.3 | Confident | 81.6 | Confident | 93 Ų | 93 | 79.6 Ų | 79.6 | 60% | 0.604 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -61.8 | -23.5 | -176.1 | 25.6 | -34.7 | 0 | 0 | 0 | 113.6 | L35 K36 | P33-L35 PolarHBondContact O-N 2.98Å; P33-K36 WeakPolarHBondContact O-CB 3.4Å; P33-K36 PolarHBondContact O-N 3.1Å |
| 34 | E | 87.1 | Confident | 83.7 | Confident | 123 Ų | 123 | 75.1 Ų | 75.1 | 58% | 0.575 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -59.4 | -24.3 | 174.6 | 66.9 | -83.5 | -166.1 | 0 | 0 | 113.1 | K32 K36 | K32-E34 VanDerWaalsContact CA-OE2 3.31Å; K32-E34 WeakPolarHBondContact CA-OE2 3.33Å; K32-E34 WeakPolarHBondContact CB-OE1 3.21Å; K32-E34 WeakPolarHBondContact CG-OE1 3.26Å; K32-E34 PolarHBondContact O-N 3.22Å; E34-K36 PolarHBondContact O-N 3.42Å |
| 35 | L | 87.4 | Confident | 85.5 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -68.2 | -15.9 | 179.1 | -66.1 | 179.9 | 0 | 0 | 0 | 113.5 | E28 I29 K32 P33 N37 F38 Y54 | E28-L35 HydrophobicContact CB-CD1 3.77Å; I29-L35 HydrophobicContact CB-CB 4.33Å; I29-L35 HydrophobicContact CG1-CB 4.16Å; K32-L35 HydrophobicContact CB-CD1 3.76Å; K32-L35 HydrophobicContact CB-CG 3.87Å; K32-L35 HydrophobicContact CD-CD1 4.14Å; K32-L35 WeakPolarHBondContact O-CB 3.4Å; K32-L35 PolarHBondContact O-N 2.92Å; K32-L35 VanDerWaalsContact O-N 3.09Å; P33-L35 PolarHBondContact O-N 2.98Å; L35-N37 PolarHBondContact O-N 2.78Å; L35-F38 HydrophobicContact CD2-CB 4.07Å; L35-F38 HydrophobicContact CD2-CD2 4.26Å; L35-F38 HydrophobicContact CD2-CG 4.15Å; L35-F38 PolarHBondContact O-N 2.9Å; L35-Y54 HydrophobicContact CB-CD2 3.68Å; L35-Y54 HydrophobicContact CB-CE2 4.22Å; L35-Y54 HydrophobicContact CB-CG 4.3Å; L35-Y54 HydrophobicContact CD1-CD2 3.84Å; L35-Y54 HydrophobicContact CD1-CE2 3.76Å; L35-Y54 HydrophobicContact CG-CD2 4.22Å; L35-Y54 VanDerWaalsContact O-CB 3.26Å; L35-Y54 WeakPolarHBondContact O-CB 3.46Å |
| 36 | K | 86.3 | Confident | 87.1 | Confident | 91 Ų | 91 | 71.5 Ų | 71.5 | 40% | 0.396 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -55.8 | -37 | 178.6 | 171.5 | 168.4 | 177.5 | -176.8 | 0 | 113.7 | I29 P33 E34 S201 H203 | I29-K36 HydrophobicContact CD1-CB 4.25Å; P33-K36 WeakPolarHBondContact O-CB 3.4Å; P33-K36 PolarHBondContact O-N 3.1Å; E34-K36 PolarHBondContact O-N 3.42Å; K36-S201 WeakPolarHBondContact CD-O 3.31Å; K36-S201 WeakPolarHBondContact CE-OG 3.39Å; K36-S201 WeakPolarHBondContact CG-O 3.37Å; K36-S201 PolarHBondContact NZ-OG 2.88Å; K36-H203 PolarHBondContact O-N 3.4Å |
| 37 | N | 85.1 | Confident | 88.2 | Confident | 105 Ų | 105 | 70.3 Ų | 70.3 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -116 | 16.9 | -179.2 | -59.3 | -13.4 | 0 | 0 | 0 | 111.6 | L35 T39 H203 | L35-N37 PolarHBondContact O-N 2.78Å; N37-T39 PolarHBondContact O-N 2.9Å; N37-H203 PolarHBondContact OD1-CE1 3.05Å; N37-H203 PolarHBondContact OD1-NE2 3.11Å; N37-H203 VanDerWaalsContact OD1-NE2 3.11Å |
| 38 | F | 90.2 | Very high | 88.8 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | trans | -63.8 | 124.7 | -176.6 | 174.9 | -94.6 | 0 | 0 | 0 | 109.7 | L35 K40 N53 | L35-F38 HydrophobicContact CD2-CB 4.07Å; L35-F38 HydrophobicContact CD2-CD2 4.26Å; L35-F38 HydrophobicContact CD2-CG 4.15Å; L35-F38 PolarHBondContact O-N 2.9Å; F38-K40 HydrophobicContact CE1-CB 4.1Å; F38-K40 HydrophobicContact CE2-CB 4.34Å; F38-K40 HydrophobicContact CZ-CB 3.68Å; F38-K40 HydrophobicContact CZ-CD 4.26Å; F38-N53 WeakPolarHBondContact O-CA 3.1Å; F38-N53 PolarHBondContact O-OD1 3.13Å | ||
| 39 | T | 93.2 | Very high | 89.3 | Confident | 68 Ų | 68 | 66.8 Ų | 66.8 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 125.7 | 170.2 | -57.2 | 0 | 0 | 0 | 0 | 107.5 | N37 H52 N53 | N37-T39 PolarHBondContact O-N 2.9Å; T39-H52 CarbonylContact C-O 3.53Å; T39-H52 VanDerWaalsContact CA-O 3.3Å; T39-H52 WeakPolarHBondContact CA-O 3.07Å; T39-N53 PolarHBondContact OG1-OD1 2.84Å |
| 40 | K | 92.1 | Very high | 89.7 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 29% | 0.291 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 114 | 173.2 | -173.7 | 152.9 | 160 | -165.1 | 0 | 108.9 | F38 S51 H52 S250 D251 I252 | F38-K40 HydrophobicContact CE1-CB 4.1Å; F38-K40 HydrophobicContact CE2-CB 4.34Å; F38-K40 HydrophobicContact CZ-CB 3.68Å; F38-K40 HydrophobicContact CZ-CD 4.26Å; K40-S51 CarbonylContact O-C 3.53Å; K40-S51 WeakPolarHBondContact O-CA 3.4Å; K40-S51 WeakPolarHBondContact O-CB 3.47Å; K40-H52 PolarHBondContact N-O 3.32Å; K40-H52 PolarHBondContact O-N 3.14Å; K40-S250 WeakPolarHBondContact CE-O 3.05Å; K40-S250 PolarHBondContact NZ-O 3.23Å; K40-D251 PolarHBondContact NZ-O 3.01Å; K40-I252 HydrophobicContact CB-CD1 3.86Å; K40-I252 HydrophobicContact CD-CD1 3.48Å; K40-I252 VanDerWaalsContact CD-CD1 3.48Å; K40-I252 HydrophobicContact CD-CG1 4.08Å; K40-I252 HydrophobicContact CG-CD1 3.53Å |
| 41 | V | 92.6 | Very high | 90.1 | Very high | 62 Ų | 62 | 65.1 Ų | 65.1 | 38% | 0.376 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 128.1 | 178 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | E44 K49 | V41-E44 HydrophobicContact CG1-CB 3.93Å; V41-K49 HydrophobicContact CG1-CG 4.37Å; V41-K49 VanDerWaalsContact CG2-CE 3.5Å |
| 42 | I | 89.7 | Confident | 90.5 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.077 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -48.2 | 180 | -64.5 | 171.4 | 0 | 0 | 0 | 108.9 | Y50 H52 C247 I252 | I42-Y50 HydrophobicContact CB-CD1 3.93Å; I42-Y50 HydrophobicContact CD1-CD1 3.63Å; I42-Y50 HydrophobicContact CD1-CE1 3.45Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.45Å; I42-Y50 HydrophobicContact CG1-CD1 4.31Å; I42-Y50 HydrophobicContact CG2-CD1 4.23Å; I42-Y50 PolarHBondContact N-O 3.24Å; I42-H52 WeakPolarHBondContact CD1-CD2 3.45Å; I42-H52 VanDerWaalsContact CD1-NE2 3.27Å; I42-H52 WeakPolarHBondContact CD1-NE2 3.38Å; I42-C247 HydrophobicContact CG2-CB 3.8Å; I42-I252 HydrophobicContact CD1-CD1 4.46Å; I42-I252 HydrophobicContact CD1-CG2 4.02Å; I42-I252 HydrophobicContact CG1-CD1 4.28Å |
| 43 | F | 88.3 | Confident | 90.8 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 151.2 | 172.5 | 59.5 | -102.6 | 0 | 0 | 0 | 110.5 | Y48 Y50 | F43-Y48 AromaticContact CD2-CD2 3.52Å; F43-Y48 HydrophobicContact CD2-CD2 3.52Å; F43-Y48 AromaticContact CD2-CE2 3.33Å; F43-Y48 HydrophobicContact CD2-CE2 3.33Å; F43-Y48 AromaticContact CE2-CD2 3.37Å; F43-Y48 HydrophobicContact CE2-CD2 3.37Å; F43-Y48 AromaticContact CE2-CE2 3.41Å; F43-Y48 HydrophobicContact CE2-CE2 3.41Å; F43-Y48 VanDerWaalsContact CE2-CE2 3.41Å; F43-Y48 HydrophobicContact CG-CE2 4.48Å; F43-Y50 HydrophobicContact CD1-CD1 4.09Å; F43-Y50 HydrophobicContact CD1-CG 4.41Å; F43-Y50 AromaticContact CE1-CD1 3.52Å; F43-Y50 HydrophobicContact CE1-CD1 3.52Å; F43-Y50 AromaticContact CE1-CG 3.73Å; F43-Y50 HydrophobicContact CE1-CG 3.73Å; F43-Y50 HydrophobicContact CE2-CG 4.45Å; F43-Y50 HydrophobicContact CZ-CD1 4.07Å; F43-Y50 AromaticContact CZ-CG 3.79Å; F43-Y50 HydrophobicContact CZ-CG 3.79Å; F43-Y50 PolarHBondContact N-O 3.16Å; F43-Y50 PolarHBondContact O-N 3.1Å |
| 44 | E | 92.4 | Very high | 91.2 | Very high | 78 Ų | 78 | 53.3 Ų | 53.3 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 134.8 | 179.6 | -176.5 | 164.5 | -169.3 | 0 | 0 | 108.7 | V41 K49 K209 W210 | V41-E44 HydrophobicContact CG1-CB 3.93Å; E44-K49 HydrophobicContact CB-CB 4.49Å; E44-K49 HydrophobicContact CB-CG 4.2Å; E44-K49 HydrophobicContact CG-CB 4.12Å; E44-K49 HydrophobicContact CG-CD 4.49Å; E44-K49 HydrophobicContact CG-CG 4.06Å; E44-K209 WeakPolarHBondContact OE1-CE 3.42Å; E44-K209 IonicContact OE1-NZ 2.62Å; E44-K209 PolarHBondContact OE1-NZ 3.36Å; E44-W210 HydrophobicContact CG-CZ2 3.99Å; E44-W210 WeakPolarHBondContact OE1-CZ2 3.32Å; E44-W210 PolarHBondContact OE1-NE1 3.34Å |
| 45 | N | 91.8 | Very high | 91.4 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | trans | -135.3 | -162.2 | 167.5 | 74.7 | 1.2 | 0 | 0 | 0 | 109.3 | S47 Y48 W210 | N45-S47 VanDerWaalsContact C-N 3.31Å; N45-S47 PolarHBondContact O-N 2.89Å; N45-S47 PolarHBondContact OD1-N 2.87Å; N45-Y48 PolarHBondContact N-O 3.27Å; N45-Y48 WeakPolarHBondContact ND2-CD1 3.37Å; N45-Y48 WeakPolarHBondContact ND2-CE1 3.35Å; N45-Y48 PolarHBondContact ND2-OH 2.87Å; N45-Y48 VanDerWaalsContact OD1-CD1 3.29Å; N45-Y48 WeakPolarHBondContact OD1-CD1 2.95Å; N45-Y48 PolarHBondContact OD1-N 2.84Å; N45-Y48 PolarHBondContact OD1-O 2.03Å; N45-W210 WeakPolarHBondContact O-CH2 3.01Å | ||
| 46 | D | 93.2 | Very high | 91.7 | Very high | 152 Ų | 152 | 49.6 Ų | 49.6 | 81% | 0.813 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -73.2 | -20.2 | -177.3 | -62.1 | -28.1 | 0 | 0 | 0 | 114.1 | L62 | D46-L62 WeakPolarHBondContact O-CD1 3.46Š|
| 47 | S | 93.4 | Very high | 92.1 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 41% | 0.406 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -117.6 | -15.7 | -172.7 | -64.9 | 0 | 0 | 0 | 0 | 114.9 | N45 L62 | N45-S47 VanDerWaalsContact C-N 3.31Å; N45-S47 PolarHBondContact O-N 2.89Å; N45-S47 PolarHBondContact OD1-N 2.87Å; S47-L62 WeakPolarHBondContact O-CG 3.4Å; S47-L62 PolarHBondContact O-N 2.95Å |
| 48 | Y | 91.9 | Very high | 92.6 | Very high | 67 Ų | 67 | 40.6 Ų | 40.6 | 26% | 0.263 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 157.9 | 178 | 59.4 | -105.4 | 0 | 0 | 0 | 113.2 | F43 N45 I60 W210 | F43-Y48 AromaticContact CD2-CD2 3.52Å; F43-Y48 HydrophobicContact CD2-CD2 3.52Å; F43-Y48 AromaticContact CD2-CE2 3.33Å; F43-Y48 HydrophobicContact CD2-CE2 3.33Å; F43-Y48 AromaticContact CE2-CD2 3.37Å; F43-Y48 HydrophobicContact CE2-CD2 3.37Å; F43-Y48 AromaticContact CE2-CE2 3.41Å; F43-Y48 HydrophobicContact CE2-CE2 3.41Å; F43-Y48 VanDerWaalsContact CE2-CE2 3.41Å; F43-Y48 HydrophobicContact CG-CE2 4.48Å; N45-Y48 PolarHBondContact N-O 3.27Å; N45-Y48 WeakPolarHBondContact ND2-CD1 3.37Å; N45-Y48 WeakPolarHBondContact ND2-CE1 3.35Å; N45-Y48 PolarHBondContact ND2-OH 2.87Å; N45-Y48 VanDerWaalsContact OD1-CD1 3.29Å; N45-Y48 WeakPolarHBondContact OD1-CD1 2.95Å; N45-Y48 PolarHBondContact OD1-N 2.84Å; N45-Y48 PolarHBondContact OD1-O 2.03Å; Y48-I60 CarbonylContact C-O 3.5Å; Y48-I60 WeakPolarHBondContact CA-O 3.43Å; Y48-I60 VanDerWaalsContact CB-O 3.24Å; Y48-I60 WeakPolarHBondContact CB-O 3.4Å; Y48-W210 VanDerWaalsContact C-CH2 3.42Å; Y48-W210 WeakPolarHBondContact O-CH2 3.4Å |
| 49 | K | 94.8 | Very high | 92.9 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 132.2 | 173.7 | -179.9 | -173.1 | 176.3 | -141.2 | 0 | 110.2 | V41 E44 L59 I60 W210 | V41-K49 HydrophobicContact CG1-CG 4.37Å; V41-K49 VanDerWaalsContact CG2-CE 3.5Å; E44-K49 HydrophobicContact CB-CB 4.49Å; E44-K49 HydrophobicContact CB-CG 4.2Å; E44-K49 HydrophobicContact CG-CB 4.12Å; E44-K49 HydrophobicContact CG-CD 4.49Å; E44-K49 HydrophobicContact CG-CG 4.06Å; K49-L59 CarbonylContact O-C 3.6Å; K49-L59 WeakPolarHBondContact O-CA 3.37Å; K49-I60 HydrophobicContact CB-CB 4.24Å; K49-I60 HydrophobicContact CB-CD1 4.49Å; K49-I60 HydrophobicContact CD-CD1 4.29Å; K49-I60 PolarHBondContact N-O 3.43Å; K49-I60 PolarHBondContact O-N 2.83Å; K49-W210 HydrophobicContact CB-CH2 4.09Å; K49-W210 HydrophobicContact CB-CZ2 3.59Å; K49-W210 HydrophobicContact CD-CZ2 4.46Å |
| 50 | Y | 94.1 | Very high | 93 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.7 | 170.2 | -172.5 | -119.4 | 0 | 0 | 0 | 110.8 | I42 F43 H52 S57 Q58 L59 T254 K265 | I42-Y50 HydrophobicContact CB-CD1 3.93Å; I42-Y50 HydrophobicContact CD1-CD1 3.63Å; I42-Y50 HydrophobicContact CD1-CE1 3.45Å; I42-Y50 VanDerWaalsContact CD1-CE1 3.45Å; I42-Y50 HydrophobicContact CG1-CD1 4.31Å; I42-Y50 HydrophobicContact CG2-CD1 4.23Å; I42-Y50 PolarHBondContact N-O 3.24Å; F43-Y50 HydrophobicContact CD1-CD1 4.09Å; F43-Y50 HydrophobicContact CD1-CG 4.41Å; F43-Y50 AromaticContact CE1-CD1 3.52Å; F43-Y50 HydrophobicContact CE1-CD1 3.52Å; F43-Y50 AromaticContact CE1-CG 3.73Å; F43-Y50 HydrophobicContact CE1-CG 3.73Å; F43-Y50 HydrophobicContact CE2-CG 4.45Å; F43-Y50 HydrophobicContact CZ-CD1 4.07Å; F43-Y50 AromaticContact CZ-CG 3.79Å; F43-Y50 HydrophobicContact CZ-CG 3.79Å; F43-Y50 PolarHBondContact N-O 3.16Å; F43-Y50 PolarHBondContact O-N 3.1Å; Y50-H52 AromaticContact CE1-CD2 3.96Å; Y50-H52 AromaticContact CE1-NE2 3.72Å; Y50-H52 AromaticContact CZ-CD2 3.94Å; Y50-H52 AromaticContact CZ-NE2 3.75Å; Y50-H52 PolarHBondContact OH-NE2 3.31Å; Y50-S57 VanDerWaalsContact OH-CB 3.31Å; Y50-S57 WeakPolarHBondContact OH-CB 3.44Å; Y50-Q58 WeakPolarHBondContact CA-O 3.5Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.42Å; Y50-L59 HydrophobicContact CD2-CB 4.03Å; Y50-L59 HydrophobicContact CD2-CD1 4.17Å; Y50-T254 PolarHBondContact OH-OG1 2.85Å; Y50-K265 HydrophobicContact CE1-CG 4.49Å |
| 51 | S | 94 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150.4 | -179.5 | 57 | 0 | 0 | 0 | 0 | 112 | K40 S57 Q58 | K40-S51 CarbonylContact O-C 3.53Å; K40-S51 WeakPolarHBondContact O-CA 3.4Å; K40-S51 WeakPolarHBondContact O-CB 3.47Å; S51-S57 CarbonylContact O-C 3.41Å; S51-S57 WeakPolarHBondContact O-CA 3.22Å; S51-Q58 PolarHBondContact N-O 2.97Å; S51-Q58 PolarHBondContact O-N 3.12Å; S51-Q58 PolarHBondContact OG-OE1 3.25Å |
| 52 | H | 93.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133 | 169.7 | -77 | -163.1 | 0 | 0 | 0 | 109.4 | T39 K40 I42 Y50 L222 I252 T254 | T39-H52 CarbonylContact C-O 3.53Å; T39-H52 VanDerWaalsContact CA-O 3.3Å; T39-H52 WeakPolarHBondContact CA-O 3.07Å; K40-H52 PolarHBondContact N-O 3.32Å; K40-H52 PolarHBondContact O-N 3.14Å; I42-H52 WeakPolarHBondContact CD1-CD2 3.45Å; I42-H52 VanDerWaalsContact CD1-NE2 3.27Å; I42-H52 WeakPolarHBondContact CD1-NE2 3.38Å; Y50-H52 AromaticContact CE1-CD2 3.96Å; Y50-H52 AromaticContact CE1-NE2 3.72Å; Y50-H52 AromaticContact CZ-CD2 3.94Å; Y50-H52 AromaticContact CZ-NE2 3.75Å; Y50-H52 PolarHBondContact OH-NE2 3.31Å; H52-L222 HydrophobicContact CB-CD1 4.14Å; H52-L222 HydrophobicContact CB-CD2 4.5Å; H52-I252 HydrophobicContact CB-CD1 4.24Å; H52-I252 WeakPolarHBondContact CE1-CG2 3.4Å; H52-I252 WeakPolarHBondContact ND1-CG2 3.48Å; H52-T254 PolarHBondContact NE2-OG1 2.63Å |
| 53 | N | 93.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 176.7 | 170.3 | -57.9 | -91.2 | 0 | 0 | 0 | 108.9 | F38 T39 Y55 Y56 V204 L222 | F38-N53 WeakPolarHBondContact O-CA 3.1Å; F38-N53 PolarHBondContact O-OD1 3.13Å; T39-N53 PolarHBondContact OG1-OD1 2.84Å; N53-Y55 PolarHBondContact O-N 3.04Å; N53-Y56 CarbonylContact C-O 3.52Å; N53-Y56 WeakPolarHBondContact CA-O 3.36Å; N53-Y56 WeakPolarHBondContact CB-O 2.68Å; N53-Y56 PolarHBondContact N-O 3Å; N53-V204 HydrophobicContact CB-CG1 4.49Å; N53-V204 HydrophobicContact CB-CG2 3.76Å; N53-L222 WeakPolarHBondContact O-CD1 3.41Å |
| 54 | Y | 91.1 | Very high | 94.1 | Very high | 29 Ų | 29 | 38.1 Ų | 38.1 | 11% | 0.114 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -61.6 | 125 | 170.5 | -175.8 | -93 | 0 | 0 | 0 | 110.2 | E28 I29 L35 Y56 Y91 I191 A202 | E28-Y54 HydrophobicContact CB-CE2 4.37Å; E28-Y54 PolarHBondContact N-OH 2.61Å; I29-Y54 HydrophobicContact CB-CD2 4.47Å; I29-Y54 HydrophobicContact CB-CE1 4.05Å; I29-Y54 HydrophobicContact CB-CE2 3.86Å; I29-Y54 HydrophobicContact CD1-CD1 4.21Å; I29-Y54 HydrophobicContact CD1-CE1 4.34Å; I29-Y54 HydrophobicContact CG2-CE1 4.01Å; I29-Y54 HydrophobicContact CG2-CE2 4.49Å; L35-Y54 HydrophobicContact CB-CD2 3.68Å; L35-Y54 HydrophobicContact CB-CE2 4.22Å; L35-Y54 HydrophobicContact CB-CG 4.3Å; L35-Y54 HydrophobicContact CD1-CD2 3.84Å; L35-Y54 HydrophobicContact CD1-CE2 3.76Å; L35-Y54 HydrophobicContact CG-CD2 4.22Å; L35-Y54 VanDerWaalsContact O-CB 3.26Å; L35-Y54 WeakPolarHBondContact O-CB 3.46Å; Y54-Y56 PolarHBondContact O-N 2.91Å; Y54-Y91 HydrophobicContact CD1-CD1 4.47Å; Y54-Y91 HydrophobicContact CD1-CE1 4.33Å; Y54-Y91 WeakPolarHBondContact O-CE1 3.39Å; Y54-I191 HydrophobicContact CD1-CD1 4.06Å; Y54-I191 HydrophobicContact CE1-CD1 3.49Å; Y54-I191 VanDerWaalsContact CE1-CD1 3.49Å; Y54-A202 HydrophobicContact CD1-CB 3.72Å; Y54-A202 HydrophobicContact CE1-CB 4.47Å |
| 55 | Y | 91 | Very high | 94.2 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 26% | 0.263 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 69.8 | -25.2 | -180 | -152.2 | -81.7 | 0 | 0 | 0 | 116.9 | N53 Y91 G92 V221 L222 | N53-Y55 PolarHBondContact O-N 3.04Å; Y55-Y91 VanDerWaalsContact CB-CD1 3.47Å; Y55-Y91 HydrophobicContact CD1-CD1 4.14Å; Y55-Y91 HydrophobicContact CD1-CG 4.44Å; Y55-Y91 HydrophobicContact CD2-CD1 4.32Å; Y55-Y91 AromaticContact CG-CD1 3.74Å; Y55-Y91 HydrophobicContact CG-CD1 3.74Å; Y55-Y91 HydrophobicContact CG-CE1 4.4Å; Y55-Y91 HydrophobicContact CG-CG 4.4Å; Y55-G92 VanDerWaalsContact CZ-N 3.34Å; Y55-G92 WeakPolarHBondContact OH-CA 3.42Å; Y55-G92 PolarHBondContact OH-N 2.91Å; Y55-G92 VanDerWaalsContact OH-N 3.09Å; Y55-V221 HydrophobicContact CD1-CG1 4.07Å; Y55-V221 HydrophobicContact CD1-CG2 4.44Å; Y55-V221 HydrophobicContact CE1-CB 4.38Å; Y55-V221 HydrophobicContact CE1-CG1 3.59Å; Y55-V221 HydrophobicContact CE1-CG2 3.97Å; Y55-V221 WeakPolarHBondContact O-CA 3Å; Y55-L222 PolarHBondContact O-N 3.47Å |
| 56 | Y | 94.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.4 | -176.4 | -74.3 | -91.9 | 0 | 0 | 0 | 112.7 | N53 Y54 Y91 G165 F187 L219 E220 V221 | N53-Y56 CarbonylContact C-O 3.52Å; N53-Y56 WeakPolarHBondContact CA-O 3.36Å; N53-Y56 WeakPolarHBondContact CB-O 2.68Å; N53-Y56 PolarHBondContact N-O 3Å; Y54-Y56 PolarHBondContact O-N 2.91Å; Y56-Y91 HydrophobicContact CD2-CD1 4.23Å; Y56-Y91 HydrophobicContact CD2-CD2 4.42Å; Y56-Y91 AromaticContact CD2-CE1 3.82Å; Y56-Y91 HydrophobicContact CD2-CE1 3.82Å; Y56-Y91 HydrophobicContact CD2-CE2 4.06Å; Y56-Y91 AromaticContact CD2-CZ 3.75Å; Y56-Y91 AromaticContact CE2-CD1 3.97Å; Y56-Y91 HydrophobicContact CE2-CD1 3.97Å; Y56-Y91 AromaticContact CE2-CD2 3.65Å; Y56-Y91 HydrophobicContact CE2-CD2 3.65Å; Y56-Y91 AromaticContact CE2-CE1 3.95Å; Y56-Y91 HydrophobicContact CE2-CE1 3.95Å; Y56-Y91 AromaticContact CE2-CE2 3.66Å; Y56-Y91 HydrophobicContact CE2-CE2 3.66Å; Y56-Y91 AromaticContact CE2-CG 3.85Å; Y56-Y91 HydrophobicContact CE2-CG 3.85Å; Y56-Y91 AromaticContact CE2-CZ 3.83Å; Y56-Y91 PolarHBondContact OH-N 2.8Å; Y56-G165 WeakPolarHBondContact CE1-O 3.48Å; Y56-F187 HydrophobicContact CD2-CD1 4.5Å; Y56-F187 HydrophobicContact CD2-CE1 4.18Å; Y56-F187 HydrophobicContact CE1-CE1 4.14Å; Y56-F187 HydrophobicContact CE2-CD1 4.34Å; Y56-F187 AromaticContact CE2-CE1 3.6Å; Y56-F187 HydrophobicContact CE2-CE1 3.6Å; Y56-F187 AromaticContact CZ-CE1 3.57Å; Y56-L219 HydrophobicContact CD1-CB 3.97Å; Y56-E220 CarbonylContact C-O 3.56Å; Y56-E220 VanDerWaalsContact CA-O 3.31Å; Y56-E220 WeakPolarHBondContact CA-O 3.44Å; Y56-V221 HydrophobicContact CD1-CG2 4.35Å; Y56-V221 HydrophobicContact CE1-CG2 3.75Å |
| 57 | S | 94.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 150.1 | 159.3 | 66.8 | 0 | 0 | 0 | 0 | 109.3 | Y50 S51 L219 E220 | Y50-S57 VanDerWaalsContact OH-CB 3.31Å; Y50-S57 WeakPolarHBondContact OH-CB 3.44Å; S51-S57 CarbonylContact O-C 3.41Å; S51-S57 WeakPolarHBondContact O-CA 3.22Å; S57-L219 VanDerWaalsContact O-CA 3.26Å; S57-L219 WeakPolarHBondContact O-CA 3.27Å; S57-E220 PolarHBondContact N-O 3.06Å; S57-E220 PolarHBondContact O-N 2.79Å; S57-E220 VanDerWaalsContact O-N 3.07Å; S57-E220 PolarHBondContact OG-O 3.03Å |
| 58 | Q | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 117.3 | 176.7 | 174.1 | -175.7 | 82.2 | 0 | 0 | 108.2 | Y50 S51 I60 V204 K205 V217 E218 L219 | Y50-Q58 WeakPolarHBondContact CA-O 3.5Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.42Å; S51-Q58 PolarHBondContact N-O 2.97Å; S51-Q58 PolarHBondContact O-N 3.12Å; S51-Q58 PolarHBondContact OG-OE1 3.25Å; Q58-I60 HydrophobicContact CG-CD1 4.3Å; Q58-I60 HydrophobicContact CG-CG1 3.86Å; Q58-V204 HydrophobicContact CB-CG1 4.32Å; Q58-K205 PolarHBondContact NE2-O 3.38Å; Q58-V217 HydrophobicContact CG-CG1 3.98Å; Q58-E218 WeakPolarHBondContact CA-O 3.21Å; Q58-L219 HydrophobicContact CB-CD2 3.7Å; Q58-L219 HydrophobicContact CG-CD2 3.78Å |
| 59 | L | 95.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.2 | 167.3 | 178.9 | 62 | 0 | 0 | 0 | 108.6 | K49 Y50 R61 V217 E218 N261 | K49-L59 CarbonylContact O-C 3.6Å; K49-L59 WeakPolarHBondContact O-CA 3.37Å; Y50-L59 HydrophobicContact CD2-CB 4.03Å; Y50-L59 HydrophobicContact CD2-CD1 4.17Å; L59-R61 HydrophobicContact CD1-CG 4.32Å; L59-R61 HydrophobicContact CD2-CG 4.46Å; L59-R61 HydrophobicContact CG-CG 4.15Å; L59-V217 CarbonylContact O-C 3.53Å; L59-V217 WeakPolarHBondContact O-CA 3.44Å; L59-E218 PolarHBondContact N-O 2.83Å; L59-E218 PolarHBondContact O-N 2.8Å; L59-N261 HydrophobicContact CD2-CB 4.49Å; L59-N261 WeakPolarHBondContact CD2-ND2 3.5Å |
| 60 | I | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.8 | 174.4 | -52.2 | -174.7 | 0 | 0 | 0 | 107.6 | Y48 K49 Q58 V206 W210 T215 L216 V217 | Y48-I60 CarbonylContact C-O 3.5Å; Y48-I60 WeakPolarHBondContact CA-O 3.43Å; Y48-I60 VanDerWaalsContact CB-O 3.24Å; Y48-I60 WeakPolarHBondContact CB-O 3.4Å; K49-I60 HydrophobicContact CB-CB 4.24Å; K49-I60 HydrophobicContact CB-CD1 4.49Å; K49-I60 HydrophobicContact CD-CD1 4.29Å; K49-I60 PolarHBondContact N-O 3.43Å; K49-I60 PolarHBondContact O-N 2.83Å; Q58-I60 HydrophobicContact CG-CD1 4.3Å; Q58-I60 HydrophobicContact CG-CG1 3.86Å; I60-V206 HydrophobicContact CD1-CG1 4.3Å; I60-W210 HydrophobicContact CB-CD2 4.38Å; I60-W210 HydrophobicContact CB-CE3 4.29Å; I60-W210 HydrophobicContact CD1-CB 4Å; I60-W210 HydrophobicContact CD1-CD2 4.24Å; I60-W210 HydrophobicContact CD1-CG 3.75Å; I60-W210 HydrophobicContact CG2-CB 3.84Å; I60-W210 HydrophobicContact CG2-CD2 3.71Å; I60-W210 HydrophobicContact CG2-CE3 3.44Å; I60-W210 VanDerWaalsContact CG2-CE3 3.44Å; I60-W210 HydrophobicContact CG2-CG 3.88Å; I60-W210 HydrophobicContact CG2-CZ3 4.25Å; I60-T215 HydrophobicContact CG2-CG2 3.63Å; I60-L216 WeakPolarHBondContact CA-O 3.37Å; I60-V217 HydrophobicContact CG1-CG1 4.31Å; I60-V217 HydrophobicContact CG1-CG2 4.17Å; I60-V217 HydrophobicContact CG2-CG2 4.21Å |
| 61 | R | 96.3 | Very high | 94 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 131.9 | 175.9 | -64.6 | -178.6 | -74.7 | 172.7 | -1 | 110 | L59 Q64 T215 L216 E218 N261 | L59-R61 HydrophobicContact CD1-CG 4.32Å; L59-R61 HydrophobicContact CD2-CG 4.46Å; L59-R61 HydrophobicContact CG-CG 4.15Å; R61-Q64 HydrophobicContact CB-CG 3.71Å; R61-T215 WeakPolarHBondContact O-CA 3.47Å; R61-L216 PolarHBondContact N-O 3.29Å; R61-L216 PolarHBondContact O-N 2.67Å; R61-E218 IonicContact CZ-OE2 2.69Å; R61-E218 IonicContact NE-OE2 2.68Å; R61-E218 IonicContact NH2-OE1 3.69Å; R61-E218 IonicContact NH2-OE2 2.84Å; R61-E218 PolarHBondContact NH2-OE2 2.79Å; R61-N261 PolarHBondContact NH1-OD1 3.43Å |
| 62 | L | 96 | Very high | 93.9 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -83.4 | 165.2 | 173.2 | -58.8 | -173.5 | 0 | 0 | 0 | 111.6 | D46 S47 Q64 W210 Q212 T215 | D46-L62 WeakPolarHBondContact O-CD1 3.46Å; S47-L62 WeakPolarHBondContact O-CG 3.4Å; S47-L62 PolarHBondContact O-N 2.95Å; L62-Q64 PolarHBondContact O-N 2.79Å; L62-Q64 PolarHBondContact O-NE2 2.94Å; L62-W210 HydrophobicContact CD1-CE3 4.45Å; L62-W210 HydrophobicContact CD1-CZ3 4.1Å; L62-W210 HydrophobicContact CD2-CE3 3.66Å; L62-W210 HydrophobicContact CD2-CZ3 4Å; L62-W210 HydrophobicContact CG-CE3 4Å; L62-W210 HydrophobicContact CG-CZ3 3.79Å; L62-Q212 HydrophobicContact CD2-CG 4.1Å; L62-T215 HydrophobicContact CD2-CG2 4.11Å; L62-T215 WeakPolarHBondContact CD2-OG1 3.44Å |
| 63 | N | 95.5 | Very high | 94 | Very high | 132 Ų | 132 | 48.6 Ų | 48.6 | 71% | 0.706 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 55.1 | 35.9 | 171.1 | -52.8 | -35.5 | 0 | 0 | 0 | 113.9 | G214 | N63-G214 PolarHBondContact N-O 2.83Å; N63-G214 VanDerWaalsContact N-O 3.16Å |
| 64 | Q | 96.5 | Very high | 93.9 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -87 | 148.3 | 177.2 | -58.3 | -58.5 | -72.8 | 0 | 0 | 110.3 | R61 L62 Y170 G214 L216 | R61-Q64 HydrophobicContact CB-CG 3.71Å; L62-Q64 PolarHBondContact O-N 2.79Å; L62-Q64 PolarHBondContact O-NE2 2.94Å; Q64-Y170 WeakPolarHBondContact O-CE2 3.1Å; Q64-Y170 PolarHBondContact O-OH 3.19Å; Q64-G214 PolarHBondContact N-O 2.98Å; Q64-L216 HydrophobicContact CB-CB 3.86Å; Q64-L216 HydrophobicContact CG-CB 3.69Å; Q64-L216 HydrophobicContact CG-CD2 4.45Å |
| 65 | S | 95.9 | Very high | 93.8 | Very high | 100 Ų | 100 | 54.2 Ų | 54.2 | 70% | 0.699 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 154.4 | 169.7 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 66 | P | 95.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 53.2 Ų | 53.2 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 131 | 174.6 | -22.3 | 30.8 | 0 | 0 | 0 | 111.4 | V68 Y170 | P66-V68 PolarHBondContact O-N 3.42Å; P66-Y170 HydrophobicContact CB-CD1 4.32Å; P66-Y170 HydrophobicContact CB-CE1 3.71Å; P66-Y170 WeakPolarHBondContact CD-OH 3.43Å; P66-Y170 HydrophobicContact CG-CE1 3.77Å; P66-Y170 WeakPolarHBondContact CG-OH 3.26Å |
| 67 | P | 94.3 | Very high | 93.1 | Very high | 55 Ų | 55 | 62.2 Ų | 62.2 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -72.6 | -15.4 | -177.2 | 27.6 | -34.8 | 0 | 0 | 0 | 113.6 | L160 Y170 | P67-L160 HydrophobicContact CB-CD2 4.05Å; P67-L160 HydrophobicContact CG-CD1 3.66Å; P67-L160 HydrophobicContact CG-CD2 3.77Å; P67-L160 HydrophobicContact CG-CG 4.39Å; P67-Y170 VanDerWaalsContact CD-CG 3.48Å; P67-Y170 HydrophobicContact CG-CG 4.27Å |
| 68 | V | 94.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -137.6 | 136 | -178.8 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | P66 F73 L132 L137 L160 | P66-V68 PolarHBondContact O-N 3.42Å; V68-F73 HydrophobicContact CB-CE2 4.1Å; V68-F73 HydrophobicContact CB-CZ 4.24Å; V68-F73 HydrophobicContact CG1-CD2 4.5Å; V68-F73 HydrophobicContact CG1-CE2 3.62Å; V68-F73 HydrophobicContact CG1-CZ 3.97Å; V68-L132 HydrophobicContact CG1-CD2 3.6Å; V68-L137 HydrophobicContact CG2-CD1 4.28Å; V68-L137 HydrophobicContact CG2-CD2 4.4Å; V68-L160 HydrophobicContact CG2-CD2 3.59Å |
| 69 | S | 91.5 | Very high | 90.9 | Very high | 70 Ų | 70 | 70.5 Ų | 70.5 | 49% | 0.49 | 38% | 0.379 | S | S | . | . | trans | -65.4 | 143.9 | 177 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | D71 R72 | S69-D71 VanDerWaalsContact C-N 3.34Å; S69-D71 WeakPolarHBondContact CB-OD1 3.35Å; S69-D71 PolarHBondContact O-N 3.11Å; S69-D71 PolarHBondContact OG-OD1 2.97Å; S69-R72 PolarHBondContact O-N 3.21Å | ||
| 70 | N | 88.1 | Confident | 89.9 | Confident | 97 Ų | 97 | 75 Ų | 75 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -67.4 | -30.2 | -173 | -78.2 | -20.5 | 0 | 0 | 0 | 114.2 | R72 R141 | N70-R72 PolarHBondContact O-N 2.99Å; N70-R141 VanDerWaalsContact OD1-CZ 3.28Å; N70-R141 PolarHBondContact OD1-NH1 2.76Å; N70-R141 PolarHBondContact OD1-NH2 2.68Å |
| 71 | D | 89.4 | Confident | 89.5 | Confident | 132 Ų | 132 | 81.3 Ų | 81.3 | 71% | 0.706 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -69.7 | -12 | -177.5 | 62.6 | -32.9 | 0 | 0 | 0 | 114.3 | S69 | S69-D71 VanDerWaalsContact C-N 3.34Å; S69-D71 WeakPolarHBondContact CB-OD1 3.35Å; S69-D71 PolarHBondContact O-N 3.11Å; S69-D71 PolarHBondContact OG-OD1 2.97Å |
| 72 | R | 93 | Very high | 89.3 | Confident | 106 Ų | 106 | 80.7 Ų | 80.7 | 40% | 0.4 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -86.9 | -15.4 | -176.1 | -59.7 | 179.9 | 68.2 | -166.9 | 5.7 | 113.9 | S69 N70 L132 E134 | S69-R72 PolarHBondContact O-N 3.21Å; N70-R72 PolarHBondContact O-N 2.99Å; R72-L132 HydrophobicContact CB-CD1 4.31Å; R72-L132 HydrophobicContact CB-CD2 4.02Å; R72-L132 WeakPolarHBondContact O-CD1 3.4Å; R72-E134 IonicContact CZ-OE1 3.73Å; R72-E134 IonicContact CZ-OE2 2.68Å; R72-E134 IonicContact NE-OE1 3.98Å; R72-E134 IonicContact NH2-OE1 3.42Å; R72-E134 PolarHBondContact NH2-OE1 2.97Å; R72-E134 IonicContact NH2-OE2 2.68Å; R72-E134 PolarHBondContact NH2-OE2 3.05Å |
| 73 | F | 94.8 | Very high | 89.3 | Confident | 23 Ų | 23 | 84.5 Ų | 84.5 | 10% | 0.101 | 45% | 0.451 | C | S | . | . | trans | -83.3 | 141.5 | -173.4 | -73.8 | -92.3 | 0 | 0 | 0 | 112.4 | V68 E130 L132 A139 R141 T158 | V68-F73 HydrophobicContact CB-CE2 4.1Å; V68-F73 HydrophobicContact CB-CZ 4.24Å; V68-F73 HydrophobicContact CG1-CD2 4.5Å; V68-F73 HydrophobicContact CG1-CE2 3.62Å; V68-F73 HydrophobicContact CG1-CZ 3.97Å; F73-E130 HydrophobicContact CB-CB 3.92Å; F73-E130 HydrophobicContact CD1-CB 4.01Å; F73-E130 HydrophobicContact CG-CB 4.3Å; F73-L132 HydrophobicContact CD1-CB 4.11Å; F73-L132 HydrophobicContact CE1-CB 4.16Å; F73-A139 HydrophobicContact CE1-CB 3.68Å; F73-A139 HydrophobicContact CZ-CB 3.8Å; F73-R141 HydrophobicContact CD1-CB 4.22Å; F73-R141 HydrophobicContact CE1-CB 3.92Å; F73-T158 HydrophobicContact CE1-CG2 4.39Å; F73-T158 HydrophobicContact CZ-CG2 3.97Å | ||
| 74 | G | 92.1 | Very high | 89.3 | Confident | 34 Ų | 34 | 78.7 Ų | 78.7 | 35% | 0.351 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E130 I131 | G74-E130 CarbonylContact O-C 3.57Å; G74-E130 VanDerWaalsContact O-CA 3.32Å; G74-E130 WeakPolarHBondContact O-CA 3.43Å; G74-I131 PolarHBondContact N-O 2.89Å; G74-I131 PolarHBondContact O-N 2.86Å |
| 75 | N | 89.4 | Confident | 89.3 | Confident | 115 Ų | 115 | 78.4 Ų | 78.4 | 62% | 0.615 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 138.7 | 172.4 | -67.5 | -59.4 | 0 | 0 | 0 | 110.6 | N128 | N75-N128 PolarHBondContact OD1-ND2 3.18Å; N75-N128 PolarHBondContact OD1-OD1 2.77Å |
| 76 | V | 87.6 | Confident | 89.3 | Confident | 46 Ų | 46 | 75 Ų | 75 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | trans | -131.9 | 149.7 | -178.4 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | L129 I131 | V76-L129 PolarHBondContact N-O 2.56Å; V76-I131 HydrophobicContact CB-CD1 4.12Å; V76-I131 HydrophobicContact CG1-CD1 4.29Å; V76-I131 HydrophobicContact CG2-CB 4.02Å; V76-I131 HydrophobicContact CG2-CD1 3.96Å; V76-I131 HydrophobicContact CG2-CG1 4.13Å | ||
| 77 | Y | 81.6 | Confident | 89.2 | Confident | 190 Ų | 190 | 75.1 Ų | 75.1 | 75% | 0.745 | 40% | 0.398 | S | S | * | . | trans | -68.1 | 141.3 | 173.7 | -69.1 | -78.6 | 0 | 0 | 0 | 111.5 | ||||
| 78 | I | 76 | Confident | 89.3 | Confident | 66 Ų | 66 | 72.5 Ų | 72.5 | 34% | 0.338 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 141.1 | 177.9 | -59.1 | 175.3 | 0 | 0 | 0 | 109.1 | F102 M126 L129 | I78-F102 HydrophobicContact CG2-CB 3.86Å; I78-M126 HydrophobicContact CD1-CE 4.42Å; I78-M126 HydrophobicContact CG1-CE 4.26Å; I78-M126 HydrophobicContact CG2-CE 4.45Å; I78-L129 HydrophobicContact CG1-CB 4.45Å |
| 79 | D | 69.1 | Low | 89.3 | Confident | 114 Ų | 114 | 76.2 Ų | 76.2 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 15.6 | 178.9 | -149.7 | 30.2 | 0 | 0 | 0 | 117 | I100 | D79-I100 PolarHBondContact N-O 2.81Š|
| 80 | E | 74 | Confident | 89.4 | Confident | 103 Ų | 103 | 72.9 Ų | 72.9 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | trans | -83.2 | 148 | 171.8 | -70.5 | -171.5 | 179.7 | 0 | 0 | 113.4 | ||||
| 81 | F | 88.1 | Confident | 89.6 | Confident | 131 Ų | 131 | 68.6 Ų | 68.6 | 58% | 0.575 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 130.4 | 165.3 | -73.7 | -75.3 | 0 | 0 | 0 | 109.9 | R97 L98 | F81-R97 HydrophobicContact CB-CG 4.38Å; F81-R97 HydrophobicContact CD1-CG 3.91Å; F81-L98 WeakPolarHBondContact CA-O 3.32Å |
| 82 | L | 92.9 | Very high | 89.5 | Confident | 27 Ų | 27 | 64.4 Ų | 64.4 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.2 | 176.8 | 177.4 | 68.7 | 0 | 0 | 0 | 110.2 | L98 I100 I131 L138 I140 | L82-L98 HydrophobicContact CB-CB 4.34Å; L82-L98 PolarHBondContact N-O 2.02Å; L82-L98 PolarHBondContact O-N 2.94Å; L82-I100 HydrophobicContact CB-CD1 4.24Å; L82-I131 HydrophobicContact CD1-CG2 4.28Å; L82-I131 HydrophobicContact CD2-CD1 4.25Å; L82-I131 HydrophobicContact CD2-CG2 4.16Å; L82-L138 HydrophobicContact CD2-CD1 3.7Å; L82-L138 HydrophobicContact CD2-CD2 3.89Å; L82-L138 HydrophobicContact CD2-CG 4.44Å; L82-I140 HydrophobicContact CD2-CD1 4.19Å |
| 83 | V | 95.1 | Very high | 89.4 | Confident | 101 Ų | 101 | 62 Ų | 62 | 61% | 0.612 | 33% | 0.333 | S | S | * | . | trans | -100.9 | 112.4 | 169.5 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | N133 | V83-N133 PolarHBondContact O-ND2 2.98Š| ||
| 84 | P | 95.9 | Very high | 89.3 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 7% | 0.071 | 34% | 0.342 | C | S | . | . | trans | -66.6 | 154.2 | 178.2 | -19.4 | 33 | 0 | 0 | 0 | 112 | F86 I88 D96 L98 N133 L138 | P84-F86 WeakPolarHBondContact CB-O 3.48Å; P84-F86 PolarHBondContact O-N 2.83Å; P84-F86 VanDerWaalsContact O-N 3.12Å; P84-I88 HydrophobicContact CB-CD1 4.16Å; P84-I88 HydrophobicContact CB-CG1 4.34Å; P84-I88 HydrophobicContact CG-CD1 3.55Å; P84-I88 HydrophobicContact CG-CG1 4.13Å; P84-D96 WeakPolarHBondContact CD-O 3.45Å; P84-L98 HydrophobicContact CG-CD1 3.1Å; P84-N133 WeakPolarHBondContact CA-OD1 3.08Å; P84-L138 HydrophobicContact CB-CD2 4.18Å; P84-L138 HydrophobicContact CG-CD2 4.1Å | ||
| 85 | A | 96.5 | Very high | 89.5 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 44% | 0.438 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -70.7 | -0.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N133 E134 | A85-N133 PolarHBondContact N-OD1 2.95Å; A85-E134 WeakPolarHBondContact CB-O 3.43Å |
| 86 | F | 96.3 | Very high | 89.8 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 13% | 0.127 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -150.3 | 165.8 | 180 | 56.5 | -91.9 | 0 | 0 | 0 | 111.5 | P84 I88 E134 L138 I161 P163 | P84-F86 WeakPolarHBondContact CB-O 3.48Å; P84-F86 PolarHBondContact O-N 2.83Å; P84-F86 VanDerWaalsContact O-N 3.12Å; F86-I88 HydrophobicContact CD2-CG1 4.13Å; F86-I88 HydrophobicContact CE2-CG1 3.7Å; F86-I88 HydrophobicContact CZ-CG1 4.49Å; F86-I88 PolarHBondContact O-N 3.08Å; F86-E134 WeakPolarHBondContact CD1-O 3.46Å; F86-E134 WeakPolarHBondContact CE1-O 3.4Å; F86-L138 HydrophobicContact CE1-CB 4.06Å; F86-L138 HydrophobicContact CZ-CB 3.89Å; F86-I161 HydrophobicContact CE2-CG2 4.22Å; F86-I161 HydrophobicContact CZ-CG2 4.34Å; F86-I161 WeakPolarHBondContact CZ-O 3.08Å; F86-P163 HydrophobicContact CB-CB 4.48Å; F86-P163 HydrophobicContact CB-CG 4.35Å; F86-P163 HydrophobicContact CD1-CG 3.99Å; F86-P163 HydrophobicContact CD2-CB 3.95Å; F86-P163 HydrophobicContact CD2-CG 3.87Å; F86-P163 HydrophobicContact CE1-CG 4.24Å; F86-P163 HydrophobicContact CE2-CB 4.38Å; F86-P163 HydrophobicContact CE2-CG 4.1Å; F86-P163 HydrophobicContact CG-CB 4.19Å; F86-P163 HydrophobicContact CG-CG 3.81Å; F86-P163 HydrophobicContact CZ-CG 4.3Å |
| 87 | L | 94.6 | Very high | 90.2 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 36% | 0.356 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -82 | 116.4 | 175.6 | -167 | 68.9 | 0 | 0 | 0 | 110.2 | D94 D96 | L87-D94 HydrophobicContact CD1-CB 4.04Å; L87-D94 HydrophobicContact CD2-CB 3.85Å; L87-D94 VanDerWaalsContact CD2-CG 3.46Å; L87-D94 WeakPolarHBondContact CD2-OD2 3.18Å; L87-D94 HydrophobicContact CG-CB 3.94Å; L87-D96 HydrophobicContact CD1-CB 3.89Å |
| 88 | I | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 139.7 | -178.9 | -58 | 167.6 | 0 | 0 | 0 | 109.5 | P84 F86 V90 D94 A95 L98 M108 L138 I161 | P84-I88 HydrophobicContact CB-CD1 4.16Å; P84-I88 HydrophobicContact CB-CG1 4.34Å; P84-I88 HydrophobicContact CG-CD1 3.55Å; P84-I88 HydrophobicContact CG-CG1 4.13Å; F86-I88 HydrophobicContact CD2-CG1 4.13Å; F86-I88 HydrophobicContact CE2-CG1 3.7Å; F86-I88 HydrophobicContact CZ-CG1 4.49Å; F86-I88 PolarHBondContact O-N 3.08Å; I88-V90 HydrophobicContact CG2-CG2 3.79Å; I88-D94 CarbonylContact O-C 3.47Å; I88-D94 WeakPolarHBondContact O-CA 3.42Å; I88-A95 HydrophobicContact CB-CB 4.22Å; I88-A95 PolarHBondContact N-O 3.27Å; I88-A95 PolarHBondContact O-N 2.71Å; I88-L98 HydrophobicContact CD1-CD1 3.6Å; I88-L98 HydrophobicContact CD1-CD2 4.21Å; I88-L98 HydrophobicContact CD1-CG 4.32Å; I88-M108 HydrophobicContact CG2-SD 4.42Å; I88-L138 HydrophobicContact CD1-CD2 4.24Å; I88-I161 HydrophobicContact CB-CG2 4.36Å; I88-I161 HydrophobicContact CD1-CD1 4.3Å; I88-I161 HydrophobicContact CD1-CG2 3.98Å; I88-I161 HydrophobicContact CG1-CG2 3.88Å; I88-I161 HydrophobicContact CG2-CG2 3.58Å |
| 89 | K | 94 | Very high | 91.8 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.3 | 171.7 | -58.4 | -63.4 | -176.3 | 175.6 | 0 | 110.7 | N93 D94 G165 | K89-N93 CarbonylContact C-O 3.5Å; K89-N93 WeakPolarHBondContact CA-O 3.46Å; K89-D94 WeakPolarHBondContact CD-OD1 3.09Å; K89-D94 VanDerWaalsContact CE-OD1 3.31Å; K89-D94 WeakPolarHBondContact CE-OD1 3.4Å; K89-D94 IonicContact NZ-OD1 3.62Å; K89-D94 PolarHBondContact NZ-OD1 3Å; K89-D94 IonicContact NZ-OD2 3.58Å; K89-G165 WeakPolarHBondContact O-CA 3.32Å |
| 90 | V | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 110.6 | -178.6 | -179 | 0 | 0 | 0 | 0 | 109.4 | I88 G92 N93 A95 M108 F187 | I88-V90 HydrophobicContact CG2-CG2 3.79Å; V90-G92 PolarHBondContact O-N 3.3Å; V90-N93 PolarHBondContact N-O 2.94Å; V90-N93 WeakPolarHBondContact O-CB 3.48Å; V90-N93 PolarHBondContact O-N 3.45Å; V90-A95 HydrophobicContact CG2-CB 4.47Å; V90-M108 HydrophobicContact CG2-SD 3.46Å; V90-M108 WeakPolarHBondContact CG2-SD 3.38Å; V90-F187 HydrophobicContact CG1-CE2 4.26Å; V90-F187 HydrophobicContact CG1-CZ 3.77Å |
| 91 | Y | 91.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 33.6 | -176.6 | -71 | -97.2 | 0 | 0 | 0 | 113.4 | Y54 Y55 Y56 N93 F187 G189 I191 A202 | Y54-Y91 HydrophobicContact CD1-CD1 4.47Å; Y54-Y91 HydrophobicContact CD1-CE1 4.33Å; Y54-Y91 WeakPolarHBondContact O-CE1 3.39Å; Y55-Y91 VanDerWaalsContact CB-CD1 3.47Å; Y55-Y91 HydrophobicContact CD1-CD1 4.14Å; Y55-Y91 HydrophobicContact CD1-CG 4.44Å; Y55-Y91 HydrophobicContact CD2-CD1 4.32Å; Y55-Y91 AromaticContact CG-CD1 3.74Å; Y55-Y91 HydrophobicContact CG-CD1 3.74Å; Y55-Y91 HydrophobicContact CG-CE1 4.4Å; Y55-Y91 HydrophobicContact CG-CG 4.4Å; Y56-Y91 HydrophobicContact CD2-CD1 4.23Å; Y56-Y91 HydrophobicContact CD2-CD2 4.42Å; Y56-Y91 AromaticContact CD2-CE1 3.82Å; Y56-Y91 HydrophobicContact CD2-CE1 3.82Å; Y56-Y91 HydrophobicContact CD2-CE2 4.06Å; Y56-Y91 AromaticContact CD2-CZ 3.75Å; Y56-Y91 AromaticContact CE2-CD1 3.97Å; Y56-Y91 HydrophobicContact CE2-CD1 3.97Å; Y56-Y91 AromaticContact CE2-CD2 3.65Å; Y56-Y91 HydrophobicContact CE2-CD2 3.65Å; Y56-Y91 AromaticContact CE2-CE1 3.95Å; Y56-Y91 HydrophobicContact CE2-CE1 3.95Å; Y56-Y91 AromaticContact CE2-CE2 3.66Å; Y56-Y91 HydrophobicContact CE2-CE2 3.66Å; Y56-Y91 AromaticContact CE2-CG 3.85Å; Y56-Y91 HydrophobicContact CE2-CG 3.85Å; Y56-Y91 AromaticContact CE2-CZ 3.83Å; Y56-Y91 PolarHBondContact OH-N 2.8Å; Y91-N93 VanDerWaalsContact C-N 3.29Å; Y91-N93 PolarHBondContact O-N 3.1Å; Y91-F187 HydrophobicContact CD2-CE1 4.03Å; Y91-F187 HydrophobicContact CD2-CZ 4.41Å; Y91-F187 AromaticContact CE2-CD1 3.81Å; Y91-F187 HydrophobicContact CE2-CD1 3.81Å; Y91-F187 AromaticContact CE2-CE1 3.51Å; Y91-F187 HydrophobicContact CE2-CE1 3.51Å; Y91-F187 HydrophobicContact CE2-CZ 4.19Å; Y91-G189 VanDerWaalsContact CE2-N 3.31Å; Y91-I191 HydrophobicContact CD1-CD1 4.05Å; Y91-A202 HydrophobicContact CD1-CB 4.08Å; Y91-A202 HydrophobicContact CE1-CB 3.45Å; Y91-A202 VanDerWaalsContact CE1-CB 3.45Å; Y91-A202 PolarHBondContact OH-O 3.48Å |
| 92 | G | 87.9 | Confident | 93.9 | Very high | 45 Ų | 45 | 39.9 Ų | 39.9 | 46% | 0.464 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -4.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y55 V90 | Y55-G92 VanDerWaalsContact CZ-N 3.34Å; Y55-G92 WeakPolarHBondContact OH-CA 3.42Å; Y55-G92 PolarHBondContact OH-N 2.91Å; Y55-G92 VanDerWaalsContact OH-N 3.09Å; V90-G92 PolarHBondContact O-N 3.3Å |
| 93 | N | 90.3 | Very high | 93.8 | Very high | 55 Ų | 55 | 43.5 Ų | 43.5 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 154.3 | 170.7 | -56.6 | -64.7 | 0 | 0 | 0 | 110.7 | K89 V90 Y91 V114 A190 | K89-N93 CarbonylContact C-O 3.5Å; K89-N93 WeakPolarHBondContact CA-O 3.46Å; V90-N93 PolarHBondContact N-O 2.94Å; V90-N93 WeakPolarHBondContact O-CB 3.48Å; V90-N93 PolarHBondContact O-N 3.45Å; Y91-N93 VanDerWaalsContact C-N 3.29Å; Y91-N93 PolarHBondContact O-N 3.1Å; N93-V114 HydrophobicContact CB-CB 4.23Å; N93-V114 HydrophobicContact CB-CG1 4.25Å; N93-A190 PolarHBondContact ND2-O 3.38Å |
| 94 | D | 94.1 | Very high | 93.6 | Very high | 53 Ų | 53 | 38.7 Ų | 38.7 | 28% | 0.283 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 146.3 | 174.3 | -65.1 | -18.4 | 0 | 0 | 0 | 110.2 | L87 I88 K89 K110 | L87-D94 HydrophobicContact CD1-CB 4.04Å; L87-D94 HydrophobicContact CD2-CB 3.85Å; L87-D94 VanDerWaalsContact CD2-CG 3.46Å; L87-D94 WeakPolarHBondContact CD2-OD2 3.18Å; L87-D94 HydrophobicContact CG-CB 3.94Å; I88-D94 CarbonylContact O-C 3.47Å; I88-D94 WeakPolarHBondContact O-CA 3.42Å; K89-D94 WeakPolarHBondContact CD-OD1 3.09Å; K89-D94 VanDerWaalsContact CE-OD1 3.31Å; K89-D94 WeakPolarHBondContact CE-OD1 3.4Å; K89-D94 IonicContact NZ-OD1 3.62Å; K89-D94 PolarHBondContact NZ-OD1 3Å; K89-D94 IonicContact NZ-OD2 3.58Å; D94-K110 HydrophobicContact CB-CD 4.49Å; D94-K110 WeakPolarHBondContact O-CB 2.98Å |
| 95 | A | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I88 V90 M108 F109 V114 | I88-A95 HydrophobicContact CB-CB 4.22Å; I88-A95 PolarHBondContact N-O 3.27Å; I88-A95 PolarHBondContact O-N 2.71Å; V90-A95 HydrophobicContact CG2-CB 4.47Å; A95-M108 HydrophobicContact CB-CB 3.91Å; A95-F109 CarbonylContact C-O 3.48Å; A95-F109 VanDerWaalsContact CA-O 3.23Å; A95-F109 WeakPolarHBondContact CA-O 3.38Å; A95-V114 HydrophobicContact CB-CG2 3.61Å |
| 96 | D | 95.8 | Very high | 93.4 | Very high | 60 Ų | 60 | 37 Ų | 37 | 32% | 0.321 | 19% | 0.187 | S | C | . | . | trans | -116.2 | -3.8 | -179.4 | 60 | 3.6 | 0 | 0 | 0 | 113.8 | P84 L87 F109 K110 | P84-D96 WeakPolarHBondContact CD-O 3.45Å; L87-D96 HydrophobicContact CD1-CB 3.89Å; D96-F109 PolarHBondContact N-O 3.34Å; D96-F109 VanDerWaalsContact OD1-O 3.13Å; D96-K110 HydrophobicContact CB-CD 4.22Å; D96-K110 VanDerWaalsContact CG-CD 3.49Å; D96-K110 WeakPolarHBondContact OD2-CD 3.33Å; D96-K110 WeakPolarHBondContact OD2-CE 3.35Å; D96-K110 IonicContact OD2-NZ 2.6Å; D96-K110 PolarHBondContact OD2-NZ 2.9Å | ||
| 97 | R | 96 | Very high | 93.4 | Very high | 95 Ų | 95 | 36.9 Ų | 36.9 | 36% | 0.358 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 145 | 178.6 | -175.2 | 176.9 | 64.1 | -161.3 | -2.5 | 111.1 | F81 F109 | F81-R97 HydrophobicContact CB-CG 4.38Å; F81-R97 HydrophobicContact CD1-CG 3.91Å; R97-F109 PolarHBondContact N-O 3.43Å; R97-F109 PolarHBondContact O-N 3.16Å |
| 98 | L | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 156.6 | 170.7 | -58.9 | 77.1 | 0 | 0 | 0 | 110.8 | F81 L82 P84 I88 I106 S107 M108 L138 I140 I161 | F81-L98 WeakPolarHBondContact CA-O 3.32Å; L82-L98 HydrophobicContact CB-CB 4.34Å; L82-L98 PolarHBondContact N-O 2.02Å; L82-L98 PolarHBondContact O-N 2.94Å; P84-L98 HydrophobicContact CG-CD1 3.1Å; I88-L98 HydrophobicContact CD1-CD1 3.6Å; I88-L98 HydrophobicContact CD1-CD2 4.21Å; I88-L98 HydrophobicContact CD1-CG 4.32Å; L98-I106 HydrophobicContact CB-CG2 4.49Å; L98-I106 HydrophobicContact CD2-CG2 3.59Å; L98-I106 HydrophobicContact CG-CG2 4.49Å; L98-S107 CarbonylContact C-O 3.41Å; L98-S107 WeakPolarHBondContact CA-O 3.36Å; L98-M108 HydrophobicContact CD2-CE 4.31Å; L98-M108 HydrophobicContact CD2-CG 4.18Å; L98-M108 HydrophobicContact CG-CG 4.12Å; L98-L138 HydrophobicContact CD1-CD2 4.26Å; L98-L138 HydrophobicContact CD2-CD2 3.99Å; L98-I140 HydrophobicContact CD2-CD1 4Å; L98-I161 HydrophobicContact CD2-CD1 4Å |
| 99 | S | 94.4 | Very high | 93.5 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.8 | 166.3 | 169 | 0 | 0 | 0 | 0 | 108 | S107 | S99-S107 PolarHBondContact N-O 2.95Å; S99-S107 PolarHBondContact O-N 2.82Å |
| 100 | I | 94.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 113 | 178.6 | -56.4 | 90.2 | 0 | 0 | 0 | 107.5 | D79 L82 T105 I106 M126 L129 I140 L142 | D79-I100 PolarHBondContact N-O 2.81Å; L82-I100 HydrophobicContact CB-CD1 4.24Å; I100-T105 WeakPolarHBondContact CA-O 3.41Å; I100-I106 HydrophobicContact CG1-CG1 4.02Å; I100-I106 HydrophobicContact CG1-CG2 4.37Å; I100-I106 HydrophobicContact CG2-CG1 4.39Å; I100-M126 HydrophobicContact CG2-CE 4.02Å; I100-L129 HydrophobicContact CB-CD2 4.32Å; I100-L129 HydrophobicContact CG2-CD1 4.2Å; I100-L129 HydrophobicContact CG2-CD2 4.21Å; I100-I140 HydrophobicContact CD1-CD1 4.5Å; I100-L142 HydrophobicContact CG2-CD2 4.34Å |
| 101 | N | 91.2 | Very high | 93.4 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | trans | -81.7 | 168.6 | 177.5 | 75.5 | 10.4 | 0 | 0 | 0 | 111.7 | Y103 G104 T105 | N101-Y103 PolarHBondContact O-N 2.84Å; N101-Y103 VanDerWaalsContact O-N 3.14Å; N101-Y103 WeakPolarHBondContact OD1-CA 3.18Å; N101-Y103 WeakPolarHBondContact OD1-CB 3.37Å; N101-Y103 PolarHBondContact OD1-N 3.07Å; N101-Y103 VanDerWaalsContact OD1-N 3.11Å; N101-G104 WeakPolarHBondContact O-CA 3.44Å; N101-G104 PolarHBondContact O-N 2.99Å; N101-G104 PolarHBondContact OD1-N 3.44Å; N101-G104 VanDerWaalsContact OD1-N 3.13Å; N101-T105 PolarHBondContact N-O 2.68Å; N101-T105 VanDerWaalsContact N-O 3.11Å; N101-T105 WeakPolarHBondContact OD1-CB 3.49Å; N101-T105 PolarHBondContact OD1-N 2.68Å | ||
| 102 | F | 90.5 | Very high | 93.4 | Very high | 80 Ų | 80 | 43.6 Ų | 43.6 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.4 | -179.7 | 67.1 | -83.9 | 0 | 0 | 0 | 115.1 | I78 G104 E125 M126 | I78-F102 HydrophobicContact CG2-CB 3.86Å; F102-G104 VanDerWaalsContact C-N 3.31Å; F102-E125 HydrophobicContact CD2-CB 4.47Å; F102-E125 HydrophobicContact CD2-CG 3.82Å; F102-E125 HydrophobicContact CE2-CG 4.24Å; F102-E125 WeakPolarHBondContact CE2-OE1 3.31Å; F102-M126 PolarHBondContact O-N 3.05Å |
| 103 | Y | 90.2 | Very high | 93.7 | Very high | 103 Ų | 103 | 45.8 Ų | 45.8 | 40% | 0.404 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4.2 | 170.8 | -61.6 | -60.7 | 0 | 0 | 0 | 113.2 | N101 F120 E125 Y144 | N101-Y103 PolarHBondContact O-N 2.84Å; N101-Y103 VanDerWaalsContact O-N 3.14Å; N101-Y103 WeakPolarHBondContact OD1-CA 3.18Å; N101-Y103 WeakPolarHBondContact OD1-CB 3.37Å; N101-Y103 PolarHBondContact OD1-N 3.07Å; N101-Y103 VanDerWaalsContact OD1-N 3.11Å; Y103-F120 WeakPolarHBondContact O-CB 3.34Å; Y103-E125 HydrophobicContact CE1-CG 4.37Å; Y103-Y144 PolarHBondContact O-OH 3.21Å |
| 104 | G | 90.9 | Very high | 94 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | 80.4 | 19.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N101 F102 I106 L142 Y144 | N101-G104 WeakPolarHBondContact O-CA 3.44Å; N101-G104 PolarHBondContact O-N 2.99Å; N101-G104 PolarHBondContact OD1-N 3.44Å; N101-G104 VanDerWaalsContact OD1-N 3.13Å; F102-G104 VanDerWaalsContact C-N 3.31Å; G104-I106 PolarHBondContact O-N 3.42Å; G104-L142 WeakPolarHBondContact O-CD1 3.14Å; G104-Y144 WeakPolarHBondContact CA-OH 3.17Å | ||
| 105 | T | 93.3 | Very high | 94 | Very high | 28 Ų | 28 | 41.2 Ų | 41.2 | 17% | 0.172 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 120.2 | 168.4 | -56.8 | 0 | 0 | 0 | 0 | 109.4 | I100 N101 L118 | I100-T105 WeakPolarHBondContact CA-O 3.41Å; N101-T105 PolarHBondContact N-O 2.68Å; N101-T105 VanDerWaalsContact N-O 3.11Å; N101-T105 WeakPolarHBondContact OD1-CB 3.49Å; N101-T105 PolarHBondContact OD1-N 2.68Å; T105-L118 HydrophobicContact CG2-CD1 4.5Å; T105-L118 HydrophobicContact CG2-CG 4.13Å |
| 106 | I | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 105.5 | 176.5 | -56.8 | 165.6 | 0 | 0 | 0 | 107.4 | L98 I100 G104 M108 G116 I117 I140 | L98-I106 HydrophobicContact CB-CG2 4.49Å; L98-I106 HydrophobicContact CD2-CG2 3.59Å; L98-I106 HydrophobicContact CG-CG2 4.49Å; I100-I106 HydrophobicContact CG1-CG1 4.02Å; I100-I106 HydrophobicContact CG1-CG2 4.37Å; I100-I106 HydrophobicContact CG2-CG1 4.39Å; G104-I106 PolarHBondContact O-N 3.42Å; I106-M108 HydrophobicContact CG2-CE 4.41Å; I106-G116 CarbonylContact O-C 3.58Å; I106-G116 WeakPolarHBondContact O-CA 3.45Å; I106-I117 HydrophobicContact CB-CB 4.13Å; I106-I117 HydrophobicContact CD1-CB 4.2Å; I106-I117 HydrophobicContact CD1-CG2 4.23Å; I106-I117 PolarHBondContact N-O 2.82Å; I106-I117 PolarHBondContact O-N 2.8Å; I106-I140 HydrophobicContact CD1-CB 4.03Å; I106-I140 HydrophobicContact CD1-CD1 3.98Å; I106-I140 HydrophobicContact CD1-CG2 3.8Å; I106-I140 HydrophobicContact CG1-CD1 4.42Å; I106-I140 HydrophobicContact CG1-CG2 4.39Å; I106-I140 HydrophobicContact CG2-CD1 3.99Å |
| 107 | S | 95.9 | Very high | 94.2 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.9 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | L98 S99 F109 | L98-S107 CarbonylContact C-O 3.41Å; L98-S107 WeakPolarHBondContact CA-O 3.36Å; S99-S107 PolarHBondContact N-O 2.95Å; S99-S107 PolarHBondContact O-N 2.82Å; S107-F109 VanDerWaalsContact CB-CE2 3.44Å; S107-F109 WeakPolarHBondContact O-CE2 2.97Å |
| 108 | M | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135 | -176.5 | -58.3 | 178.9 | -176.7 | 0 | 0 | 110.6 | I88 V90 A95 L98 I106 V114 G115 I117 I161 F187 | I88-M108 HydrophobicContact CG2-SD 4.42Å; V90-M108 HydrophobicContact CG2-SD 3.46Å; V90-M108 WeakPolarHBondContact CG2-SD 3.38Å; A95-M108 HydrophobicContact CB-CB 3.91Å; L98-M108 HydrophobicContact CD2-CE 4.31Å; L98-M108 HydrophobicContact CD2-CG 4.18Å; L98-M108 HydrophobicContact CG-CG 4.12Å; I106-M108 HydrophobicContact CG2-CE 4.41Å; M108-V114 HydrophobicContact CB-CG2 4.16Å; M108-V114 WeakPolarHBondContact O-CG2 3.43Å; M108-V114 PolarHBondContact O-N 3.31Å; M108-G115 PolarHBondContact N-O 2.75Å; M108-G115 PolarHBondContact O-N 2.8Å; M108-I117 HydrophobicContact CE-CD1 3.44Å; M108-I117 VanDerWaalsContact CE-CD1 3.44Å; M108-I117 HydrophobicContact CE-CG1 3.8Å; M108-I161 HydrophobicContact CE-CD1 3.45Å; M108-I161 VanDerWaalsContact CE-CD1 3.45Å; M108-I161 HydrophobicContact CE-CG1 4.3Å; M108-F187 HydrophobicContact CE-CE2 4.48Å |
| 109 | F | 96.3 | Very high | 94 | Very high | 41 Ų | 41 | 36 Ų | 36 | 18% | 0.18 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151.9 | -170.4 | -58.1 | -90.5 | 0 | 0 | 0 | 113.7 | A95 D96 R97 S107 E112 L113 | A95-F109 CarbonylContact C-O 3.48Å; A95-F109 VanDerWaalsContact CA-O 3.23Å; A95-F109 WeakPolarHBondContact CA-O 3.38Å; D96-F109 PolarHBondContact N-O 3.34Å; D96-F109 VanDerWaalsContact OD1-O 3.13Å; R97-F109 PolarHBondContact N-O 3.43Å; R97-F109 PolarHBondContact O-N 3.16Å; S107-F109 VanDerWaalsContact CB-CE2 3.44Å; S107-F109 WeakPolarHBondContact O-CE2 2.97Å; F109-E112 CarbonylContact C-O 3.57Å; F109-E112 VanDerWaalsContact CA-O 3.23Å; F109-E112 WeakPolarHBondContact CA-O 3.48Å; F109-L113 HydrophobicContact CD1-CB 4.19Å; F109-L113 HydrophobicContact CD1-CD1 4.26Å; F109-L113 HydrophobicContact CE1-CB 4Å; F109-L113 HydrophobicContact CE1-CD1 3.76Å; F109-L113 HydrophobicContact CZ-CD1 3.91Å |
| 110 | K | 94 | Very high | 93.7 | Very high | 93 Ų | 93 | 36.9 Ų | 36.9 | 40% | 0.404 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -144.2 | 79.8 | 161.5 | -176.4 | 67.3 | 176.9 | -179 | 0 | 108.5 | D94 D96 E112 V114 | D94-K110 HydrophobicContact CB-CD 4.49Å; D94-K110 WeakPolarHBondContact O-CB 2.98Å; D96-K110 HydrophobicContact CB-CD 4.22Å; D96-K110 VanDerWaalsContact CG-CD 3.49Å; D96-K110 WeakPolarHBondContact OD2-CD 3.33Å; D96-K110 WeakPolarHBondContact OD2-CE 3.35Å; D96-K110 IonicContact OD2-NZ 2.6Å; D96-K110 PolarHBondContact OD2-NZ 2.9Å; K110-E112 PolarHBondContact N-O 2.77Å; K110-E112 PolarHBondContact O-N 3.26Å; K110-V114 HydrophobicContact CB-CG1 4.09Å |
| 111 | G | 91.5 | Very high | 93.5 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 77% | 0.773 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 71.3 | -51 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 112 | E | 91.6 | Very high | 93.2 | Very high | 90 Ų | 90 | 38.5 Ų | 38.5 | 42% | 0.421 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -112.9 | 167.7 | 173.4 | 63.2 | -172.4 | 170.1 | 0 | 0 | 112.1 | F109 K110 V114 Y199 | F109-E112 CarbonylContact C-O 3.57Å; F109-E112 VanDerWaalsContact CA-O 3.23Å; F109-E112 WeakPolarHBondContact CA-O 3.48Å; K110-E112 PolarHBondContact N-O 2.77Å; K110-E112 PolarHBondContact O-N 3.26Å; E112-V114 PolarHBondContact O-N 3.07Å; E112-Y199 PolarHBondContact OE1-OH 2.89Å; E112-Y199 PolarHBondContact OE2-OH 3.46Å |
| 113 | L | 94.3 | Very high | 92.9 | Very high | 91 Ų | 91 | 45.3 Ų | 45.3 | 48% | 0.476 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 119.6 | 175.9 | -178.7 | 74.1 | 0 | 0 | 0 | 109.8 | F109 G115 | F109-L113 HydrophobicContact CD1-CB 4.19Å; F109-L113 HydrophobicContact CD1-CD1 4.26Å; F109-L113 HydrophobicContact CE1-CB 4Å; F109-L113 HydrophobicContact CE1-CD1 3.76Å; F109-L113 HydrophobicContact CZ-CD1 3.91Å; L113-G115 WeakPolarHBondContact CD1-O 3.15Å |
| 114 | V | 95.1 | Very high | 92.8 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -18 | -179.9 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | N93 A95 M108 K110 E112 G189 A190 | N93-V114 HydrophobicContact CB-CB 4.23Å; N93-V114 HydrophobicContact CB-CG1 4.25Å; A95-V114 HydrophobicContact CB-CG2 3.61Å; M108-V114 HydrophobicContact CB-CG2 4.16Å; M108-V114 WeakPolarHBondContact O-CG2 3.43Å; M108-V114 PolarHBondContact O-N 3.31Å; K110-V114 HydrophobicContact CB-CG1 4.09Å; E112-V114 PolarHBondContact O-N 3.07Å; V114-G189 WeakPolarHBondContact O-CA 3.39Å; V114-A190 PolarHBondContact O-N 3.25Å |
| 115 | G | 96.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.7 | -168.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M108 L113 T188 | M108-G115 PolarHBondContact N-O 2.75Å; M108-G115 PolarHBondContact O-N 2.8Å; L113-G115 WeakPolarHBondContact CD1-O 3.15Å; G115-T188 CarbonylContact C-O 3.54Å; G115-T188 WeakPolarHBondContact CA-O 3.47Å |
| 116 | G | 96.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | 163.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I106 F187 T188 | I106-G116 CarbonylContact O-C 3.58Å; I106-G116 WeakPolarHBondContact O-CA 3.45Å; G116-F187 WeakPolarHBondContact O-CD2 3.37Å; G116-T188 PolarHBondContact N-O 3Å; G116-T188 WeakPolarHBondContact O-CG2 3.32Å; G116-T188 PolarHBondContact O-N 2.81Å |
| 117 | I | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.2 | 173.6 | -64.8 | 161.9 | 0 | 0 | 0 | 107.5 | I106 M108 N119 I161 I167 F169 F187 | I106-I117 HydrophobicContact CB-CB 4.13Å; I106-I117 HydrophobicContact CD1-CB 4.2Å; I106-I117 HydrophobicContact CD1-CG2 4.23Å; I106-I117 PolarHBondContact N-O 2.82Å; I106-I117 PolarHBondContact O-N 2.8Å; M108-I117 HydrophobicContact CE-CD1 3.44Å; M108-I117 VanDerWaalsContact CE-CD1 3.44Å; M108-I117 HydrophobicContact CE-CG1 3.8Å; I117-N119 HydrophobicContact CG2-CB 4.35Å; I117-N119 VanDerWaalsContact CG2-ND2 3.26Å; I117-N119 WeakPolarHBondContact CG2-ND2 3.32Å; I117-I161 HydrophobicContact CD1-CD1 3.99Å; I117-I161 HydrophobicContact CD1-CG1 4.04Å; I117-I167 HydrophobicContact CD1-CG2 3.94Å; I117-I167 HydrophobicContact CG1-CG2 4.39Å; I117-F169 HydrophobicContact CB-CE1 4.36Å; I117-F169 HydrophobicContact CD1-CE1 4.07Å; I117-F169 HydrophobicContact CG1-CE1 4Å; I117-F169 HydrophobicContact CG1-CZ 4.21Å; I117-F169 HydrophobicContact CG2-CD1 4.34Å; I117-F169 HydrophobicContact CG2-CE1 3.46Å; I117-F169 VanDerWaalsContact CG2-CE1 3.46Å; I117-F169 HydrophobicContact CG2-CZ 3.76Å; I117-F187 HydrophobicContact CG1-CD2 3.68Å; I117-F187 HydrophobicContact CG1-CE2 4.13Å |
| 118 | L | 94.9 | Very high | 92.4 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 92.5 | 178.3 | -71.9 | 82.6 | 0 | 0 | 0 | 107.7 | T105 F120 V184 S185 W186 T188 | T105-L118 HydrophobicContact CG2-CD1 4.5Å; T105-L118 HydrophobicContact CG2-CG 4.13Å; L118-F120 HydrophobicContact CB-CD1 4.03Å; L118-F120 HydrophobicContact CB-CE1 4.01Å; L118-F120 HydrophobicContact CD2-CE1 4.01Å; L118-F120 HydrophobicContact CG-CE1 4.47Å; L118-V184 CarbonylContact O-C 3.59Å; L118-V184 VanDerWaalsContact O-O 3.14Å; L118-S185 CarbonylContact O-C 3.56Å; L118-S185 WeakPolarHBondContact O-CA 3.5Å; L118-W186 PolarHBondContact N-O 2.93Å; L118-W186 PolarHBondContact O-N 2.77Å; L118-T188 HydrophobicContact CD1-CG2 3.95Å |
| 119 | N | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 79.4 | 176.8 | -80 | -28.6 | 0 | 0 | 0 | 108.7 | I117 L142 Y144 V157 S159 F169 V184 S185 | I117-N119 HydrophobicContact CG2-CB 4.35Å; I117-N119 VanDerWaalsContact CG2-ND2 3.26Å; I117-N119 WeakPolarHBondContact CG2-ND2 3.32Å; N119-L142 HydrophobicContact CB-CD1 4.25Å; N119-L142 VanDerWaalsContact O-CD1 3.31Å; N119-L142 WeakPolarHBondContact O-CD1 3.43Å; N119-Y144 PolarHBondContact O-OH 2.84Å; N119-V157 HydrophobicContact CB-CG1 3.88Å; N119-V157 HydrophobicContact CB-CG2 4.15Å; N119-S159 PolarHBondContact ND2-OG 3.07Å; N119-F169 WeakPolarHBondContact ND2-CD1 3.36Å; N119-F169 WeakPolarHBondContact ND2-CE1 3.16Å; N119-V184 CarbonylContact C-O 3.5Å; N119-V184 WeakPolarHBondContact CA-O 3.26Å; N119-S185 WeakPolarHBondContact OD1-CA 3.31Å; N119-S185 WeakPolarHBondContact OD1-CB 3.34Å; N119-S185 PolarHBondContact OD1-OG 3.01Å |
| 120 | F | 89.1 | Confident | 92.3 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 18% | 0.18 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 157.1 | -170.9 | 71.9 | -86.7 | 0 | 0 | 0 | 113.5 | Y103 L118 K122 Y144 V184 | Y103-F120 WeakPolarHBondContact O-CB 3.34Å; L118-F120 HydrophobicContact CB-CD1 4.03Å; L118-F120 HydrophobicContact CB-CE1 4.01Å; L118-F120 HydrophobicContact CD2-CE1 4.01Å; L118-F120 HydrophobicContact CG-CE1 4.47Å; F120-K122 HydrophobicContact CD2-CG 4.5Å; F120-K122 HydrophobicContact CE2-CB 4.4Å; F120-K122 HydrophobicContact CE2-CG 3.76Å; F120-K122 HydrophobicContact CZ-CG 4.47Å; F120-Y144 WeakPolarHBondContact CA-OH 3.3Å; F120-Y144 VanDerWaalsContact CB-OH 3.28Å; F120-Y144 WeakPolarHBondContact CB-OH 3.43Å; F120-V184 HydrophobicContact CD1-CB 4.18Å; F120-V184 HydrophobicContact CD1-CG1 4.41Å; F120-V184 HydrophobicContact CE1-CB 3.78Å; F120-V184 HydrophobicContact CE1-CG1 3.73Å; F120-V184 HydrophobicContact CE1-CG2 4.4Å; F120-V184 HydrophobicContact CE2-CB 4.39Å; F120-V184 HydrophobicContact CE2-CG2 4.33Å; F120-V184 HydrophobicContact CZ-CB 3.9Å; F120-V184 HydrophobicContact CZ-CG1 4.08Å; F120-V184 HydrophobicContact CZ-CG2 4.01Å; F120-V184 PolarHBondContact N-O 2.82Å; F120-V184 PolarHBondContact O-N 2.83Å |
| 121 | L | 88.3 | Confident | 92.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 113.9 | 170.6 | -169.4 | 72 | 0 | 0 | 0 | 108.8 | R123 F124 Y144 F155 F178 V183 | L121-R123 PolarHBondContact O-N 2.67Å; L121-F124 HydrophobicContact CB-CB 4.17Å; L121-F124 HydrophobicContact CB-CD2 4.28Å; L121-F124 HydrophobicContact CD2-CB 3.89Å; L121-F124 HydrophobicContact CD2-CD1 4.24Å; L121-F124 HydrophobicContact CD2-CD2 3.37Å; L121-F124 HydrophobicContact CD2-CE2 3.94Å; L121-F124 HydrophobicContact CD2-CG 3.55Å; L121-F124 HydrophobicContact CG-CB 4.23Å; L121-F124 HydrophobicContact CG-CD2 3.52Å; L121-F124 HydrophobicContact CG-CE2 4.19Å; L121-F124 HydrophobicContact CG-CG 4.07Å; L121-F124 PolarHBondContact O-N 3.35Å; L121-F124 VanDerWaalsContact O-N 3.08Å; L121-Y144 HydrophobicContact CB-CD1 3.95Å; L121-Y144 HydrophobicContact CB-CE1 4.35Å; L121-Y144 HydrophobicContact CB-CG 4.05Å; L121-F155 HydrophobicContact CB-CD1 4.09Å; L121-F178 HydrophobicContact CD1-CB 4.19Å; L121-F178 HydrophobicContact CD1-CD1 3.57Å; L121-F178 HydrophobicContact CD1-CD2 4.46Å; L121-F178 HydrophobicContact CD1-CE1 4.03Å; L121-F178 HydrophobicContact CD1-CG 3.81Å; L121-F178 HydrophobicContact CD2-CD1 3.77Å; L121-F178 HydrophobicContact CD2-CE1 3.31Å; L121-F178 HydrophobicContact CD2-CZ 3.75Å; L121-F178 HydrophobicContact CG-CD1 4.28Å; L121-F178 HydrophobicContact CG-CE1 4.29Å; L121-V183 HydrophobicContact CD1-CG2 3.87Å |
| 122 | K | 86.4 | Confident | 92.6 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 36% | 0.357 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 130 | -177.1 | -75.2 | 178.1 | -169.7 | 165.3 | 0 | 111.2 | F120 F124 D181 Y182 V184 | F120-K122 HydrophobicContact CD2-CG 4.5Å; F120-K122 HydrophobicContact CE2-CB 4.4Å; F120-K122 HydrophobicContact CE2-CG 3.76Å; F120-K122 HydrophobicContact CZ-CG 4.47Å; K122-F124 VanDerWaalsContact C-N 3.27Å; K122-F124 WeakPolarHBondContact O-CD2 3.39Å; K122-D181 WeakPolarHBondContact CD-O 3.4Å; K122-D181 WeakPolarHBondContact CE-O 3.36Å; K122-D181 PolarHBondContact NZ-O 2.99Å; K122-Y182 WeakPolarHBondContact CB-O 3.24Å; K122-Y182 WeakPolarHBondContact CG-O 3.16Å; K122-Y182 PolarHBondContact N-O 2.76Å; K122-V184 HydrophobicContact CD-CG2 4.16Å; K122-V184 HydrophobicContact CG-CG2 3.85Å |
| 123 | R | 83.8 | Confident | 92.8 | Very high | 222 Ų | 222 | 43 Ų | 43 | 84% | 0.838 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | 13.9 | 178.5 | -46.8 | 175.3 | 177.1 | -178.4 | -1.7 | 114.5 | L121 | L121-R123 PolarHBondContact O-N 2.67Š|
| 124 | F | 87.5 | Confident | 92.9 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | trans | -121.2 | 145.7 | 174.7 | -65.1 | -92.1 | 0 | 0 | 0 | 110.3 | L121 K122 Y144 K146 Y182 | L121-F124 HydrophobicContact CB-CB 4.17Å; L121-F124 HydrophobicContact CB-CD2 4.28Å; L121-F124 HydrophobicContact CD2-CB 3.89Å; L121-F124 HydrophobicContact CD2-CD1 4.24Å; L121-F124 HydrophobicContact CD2-CD2 3.37Å; L121-F124 HydrophobicContact CD2-CE2 3.94Å; L121-F124 HydrophobicContact CD2-CG 3.55Å; L121-F124 HydrophobicContact CG-CB 4.23Å; L121-F124 HydrophobicContact CG-CD2 3.52Å; L121-F124 HydrophobicContact CG-CE2 4.19Å; L121-F124 HydrophobicContact CG-CG 4.07Å; L121-F124 PolarHBondContact O-N 3.35Å; L121-F124 VanDerWaalsContact O-N 3.08Å; K122-F124 VanDerWaalsContact C-N 3.27Å; K122-F124 WeakPolarHBondContact O-CD2 3.39Å; F124-Y144 HydrophobicContact CB-CD1 4.15Å; F124-K146 HydrophobicContact CD1-CB 4.33Å; F124-K146 HydrophobicContact CE1-CB 3.87Å; F124-K146 HydrophobicContact CE1-CD 3.74Å; F124-K146 HydrophobicContact CE1-CG 3.61Å; F124-K146 HydrophobicContact CZ-CB 4.47Å; F124-K146 HydrophobicContact CZ-CD 3.56Å; F124-K146 HydrophobicContact CZ-CG 4.01Å; F124-Y182 HydrophobicContact CE2-CD1 4.21Å; F124-Y182 HydrophobicContact CE2-CE1 4.46Å | ||
| 125 | E | 90.3 | Very high | 92.9 | Very high | 120 Ų | 120 | 48.4 Ų | 48.4 | 56% | 0.561 | 23% | 0.226 | S | C | * | . | trans | -89.5 | 148.9 | 170 | -55.5 | -173.5 | 166.2 | 0 | 0 | 108.7 | F102 Y103 Y144 | F102-E125 HydrophobicContact CD2-CB 4.47Å; F102-E125 HydrophobicContact CD2-CG 3.82Å; F102-E125 HydrophobicContact CE2-CG 4.24Å; F102-E125 WeakPolarHBondContact CE2-OE1 3.31Å; Y103-E125 HydrophobicContact CE1-CG 4.37Å; E125-Y144 WeakPolarHBondContact O-CD1 3.48Å | ||
| 126 | M | 91.9 | Very high | 92.8 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 4% | 0.044 | 25% | 0.251 | C | S | . | . | trans | -68.2 | 135.2 | 174.7 | 172.4 | 175.9 | 41.4 | 0 | 0 | 109.8 | I78 I100 F102 N128 L129 L142 Y144 | I78-M126 HydrophobicContact CD1-CE 4.42Å; I78-M126 HydrophobicContact CG1-CE 4.26Å; I78-M126 HydrophobicContact CG2-CE 4.45Å; I100-M126 HydrophobicContact CG2-CE 4.02Å; F102-M126 PolarHBondContact O-N 3.05Å; M126-N128 WeakPolarHBondContact CG-O 3.36Å; M126-L129 HydrophobicContact CE-CB 4.02Å; M126-L129 HydrophobicContact CE-CD1 4.32Å; M126-L129 HydrophobicContact CE-CD2 4.46Å; M126-L129 HydrophobicContact SD-CB 3.8Å; M126-L129 HydrophobicContact SD-CD1 4.1Å; M126-L142 HydrophobicContact CE-CD2 4.05Å; M126-L142 HydrophobicContact SD-CB 3.84Å; M126-L142 HydrophobicContact SD-CD2 3.29Å; M126-L142 WeakPolarHBondContact SD-CD2 3.37Å; M126-L142 HydrophobicContact SD-CG 4.11Å; M126-Y144 HydrophobicContact CB-CD1 4.42Å; M126-Y144 HydrophobicContact CB-CE1 4.01Å | ||
| 127 | S | 92.4 | Very high | 92.8 | Very high | 62 Ų | 62 | 55 Ų | 55 | 43% | 0.434 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -88.6 | -33.9 | 177.9 | -48 | 0 | 0 | 0 | 0 | 112.4 | T143 H145 | S127-T143 PolarHBondContact N-O 3.2Å; S127-H145 PolarHBondContact OG-N 3.19Å |
| 128 | N | 93.5 | Very high | 92.8 | Very high | 50 Ų | 50 | 55 Ų | 55 | 27% | 0.267 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 141.4 | 178 | -166.1 | 32.6 | 0 | 0 | 0 | 112.3 | N75 M126 E130 T143 | N75-N128 PolarHBondContact OD1-ND2 3.18Å; N75-N128 PolarHBondContact OD1-OD1 2.77Å; M126-N128 WeakPolarHBondContact CG-O 3.36Å; N128-E130 WeakPolarHBondContact ND2-CG 3.26Å; N128-T143 PolarHBondContact N-O 3.23Å; N128-T143 PolarHBondContact O-N 2.78Å |
| 129 | L | 94.9 | Very high | 93 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.4 | 175.2 | 175.2 | 61.6 | 0 | 0 | 0 | 109 | V76 I78 I100 M126 I131 I140 L142 | V76-L129 PolarHBondContact N-O 2.56Å; I78-L129 HydrophobicContact CG1-CB 4.45Å; I100-L129 HydrophobicContact CB-CD2 4.32Å; I100-L129 HydrophobicContact CG2-CD1 4.2Å; I100-L129 HydrophobicContact CG2-CD2 4.21Å; M126-L129 HydrophobicContact CE-CB 4.02Å; M126-L129 HydrophobicContact CE-CD1 4.32Å; M126-L129 HydrophobicContact CE-CD2 4.46Å; M126-L129 HydrophobicContact SD-CB 3.8Å; M126-L129 HydrophobicContact SD-CD1 4.1Å; L129-I131 HydrophobicContact CD1-CD1 4.41Å; L129-I131 HydrophobicContact CD1-CG1 4.21Å; L129-I131 HydrophobicContact CD2-CD1 4.24Å; L129-I131 HydrophobicContact CG-CD1 4.26Å; L129-I131 HydrophobicContact CG-CG1 4.27Å; L129-I140 HydrophobicContact CD1-CG2 3.7Å; L129-L142 HydrophobicContact CD1-CD2 3.6Å |
| 130 | E | 95.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 53 Ų | 53 | 11% | 0.112 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.4 | 176.4 | -43.3 | 172.1 | 72.1 | 0 | 0 | 109.8 | F73 G74 N128 R141 K156 | F73-E130 HydrophobicContact CB-CB 3.92Å; F73-E130 HydrophobicContact CD1-CB 4.01Å; F73-E130 HydrophobicContact CG-CB 4.3Å; G74-E130 CarbonylContact O-C 3.57Å; G74-E130 VanDerWaalsContact O-CA 3.32Å; G74-E130 WeakPolarHBondContact O-CA 3.43Å; N128-E130 WeakPolarHBondContact ND2-CG 3.26Å; E130-R141 HydrophobicContact CB-CB 4.17Å; E130-R141 PolarHBondContact N-O 3.24Å; E130-R141 PolarHBondContact O-N 2.92Å; E130-R141 WeakPolarHBondContact OE2-CD 3.3Å; E130-K156 IonicContact OE2-NZ 3.44Å |
| 131 | I | 95.8 | Very high | 93.5 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.4 | -175.3 | -62.3 | 175.7 | 0 | 0 | 0 | 110.2 | G74 V76 L82 L129 N133 L138 A139 I140 | G74-I131 PolarHBondContact N-O 2.89Å; G74-I131 PolarHBondContact O-N 2.86Å; V76-I131 HydrophobicContact CB-CD1 4.12Å; V76-I131 HydrophobicContact CG1-CD1 4.29Å; V76-I131 HydrophobicContact CG2-CB 4.02Å; V76-I131 HydrophobicContact CG2-CD1 3.96Å; V76-I131 HydrophobicContact CG2-CG1 4.13Å; L82-I131 HydrophobicContact CD1-CG2 4.28Å; L82-I131 HydrophobicContact CD2-CD1 4.25Å; L82-I131 HydrophobicContact CD2-CG2 4.16Å; L129-I131 HydrophobicContact CD1-CD1 4.41Å; L129-I131 HydrophobicContact CD1-CG1 4.21Å; L129-I131 HydrophobicContact CD2-CD1 4.24Å; L129-I131 HydrophobicContact CG-CD1 4.26Å; L129-I131 HydrophobicContact CG-CG1 4.27Å; I131-N133 HydrophobicContact CG2-CB 4.27Å; I131-L138 HydrophobicContact CG2-CD1 4.01Å; I131-A139 WeakPolarHBondContact CA-O 3.37Å; I131-I140 HydrophobicContact CG1-CG1 4.46Å |
| 132 | L | 96.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 113.5 | 165.7 | 173.1 | 63.1 | 0 | 0 | 0 | 108.2 | V68 R72 F73 E134 L137 L138 A139 | V68-L132 HydrophobicContact CG1-CD2 3.6Å; R72-L132 HydrophobicContact CB-CD1 4.31Å; R72-L132 HydrophobicContact CB-CD2 4.02Å; R72-L132 WeakPolarHBondContact O-CD1 3.4Å; F73-L132 HydrophobicContact CD1-CB 4.11Å; F73-L132 HydrophobicContact CE1-CB 4.16Å; L132-E134 HydrophobicContact CD1-CG 3.72Å; L132-E134 WeakPolarHBondContact CD1-OE1 3.39Å; L132-E134 HydrophobicContact CG-CG 4.15Å; L132-L137 HydrophobicContact CD2-CD1 4.08Å; L132-L137 HydrophobicContact CG-CD1 4.48Å; L132-L138 CarbonylContact O-C 3.24Å; L132-L138 WeakPolarHBondContact O-CA 3.01Å; L132-L138 WeakPolarHBondContact O-CD1 3.19Å; L132-A139 HydrophobicContact CB-CB 4.24Å; L132-A139 PolarHBondContact N-O 2.87Å; L132-A139 PolarHBondContact O-N 2.81Å |
| 133 | N | 95.8 | Very high | 94.2 | Very high | 57 Ų | 57 | 47.6 Ų | 47.6 | 31% | 0.305 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 94.3 | -174.7 | -177 | 24.6 | 0 | 0 | 0 | 110.8 | V83 P84 A85 I131 L138 | V83-N133 PolarHBondContact O-ND2 2.98Å; P84-N133 WeakPolarHBondContact CA-OD1 3.08Å; A85-N133 PolarHBondContact N-OD1 2.95Å; I131-N133 HydrophobicContact CG2-CB 4.27Å; N133-L138 HydrophobicContact CB-CD1 4.04Å |
| 134 | E | 95.8 | Very high | 94.7 | Very high | 54 Ų | 54 | 37 Ų | 37 | 25% | 0.252 | 18% | 0.182 | S | C | . | . | trans | -120.6 | 172.1 | -176.5 | -64.2 | 178.9 | 156.4 | 0 | 0 | 111.2 | R72 A85 F86 L132 E136 L137 | R72-E134 IonicContact CZ-OE1 3.73Å; R72-E134 IonicContact CZ-OE2 2.68Å; R72-E134 IonicContact NE-OE1 3.98Å; R72-E134 IonicContact NH2-OE1 3.42Å; R72-E134 PolarHBondContact NH2-OE1 2.97Å; R72-E134 IonicContact NH2-OE2 2.68Å; R72-E134 PolarHBondContact NH2-OE2 3.05Å; A85-E134 WeakPolarHBondContact CB-O 3.43Å; F86-E134 WeakPolarHBondContact CD1-O 3.46Å; F86-E134 WeakPolarHBondContact CE1-O 3.4Å; L132-E134 HydrophobicContact CD1-CG 3.72Å; L132-E134 WeakPolarHBondContact CD1-OE1 3.39Å; L132-E134 HydrophobicContact CG-CG 4.15Å; E134-E136 VanDerWaalsContact C-N 3.26Å; E134-E136 PolarHBondContact O-N 3.49Å; E134-L137 CarbonylContact C-O 3.5Å; E134-L137 PolarHBondContact N-O 2.9Å; E134-L137 VanDerWaalsContact O-O 3.1Å | ||
| 135 | K | 95.7 | Very high | 94.8 | Very high | 160 Ų | 160 | 39.4 Ų | 39.4 | 70% | 0.696 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -68.9 | -29.9 | -178.3 | -67.4 | 179.7 | -179.8 | 176.5 | 0 | 112 | P163 | K135-P163 VanDerWaalsContact O-CG 3.3Å; K135-P163 WeakPolarHBondContact O-CG 3.5Å |
| 136 | E | 94.4 | Very high | 94.6 | Very high | 125 Ų | 125 | 35.7 Ų | 35.7 | 58% | 0.584 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -87.9 | -30.7 | -174.5 | -61.2 | 74.6 | -164.2 | 0 | 0 | 112.2 | E134 P163 | E134-E136 VanDerWaalsContact C-N 3.26Å; E134-E136 PolarHBondContact O-N 3.49Å; E136-P163 WeakPolarHBondContact O-CD 3.38Å |
| 137 | L | 96.3 | Very high | 94.3 | Very high | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.099 | 21% | 0.205 | C | C | . | . | trans | -160.8 | 154.5 | -179.8 | 69.9 | 96.9 | 0 | 0 | 0 | 112.4 | V68 L132 E134 A139 I161 Y162 | V68-L137 HydrophobicContact CG2-CD1 4.28Å; V68-L137 HydrophobicContact CG2-CD2 4.4Å; L132-L137 HydrophobicContact CD2-CD1 4.08Å; L132-L137 HydrophobicContact CG-CD1 4.48Å; E134-L137 CarbonylContact C-O 3.5Å; E134-L137 PolarHBondContact N-O 2.9Å; E134-L137 VanDerWaalsContact O-O 3.1Å; L137-A139 HydrophobicContact CD1-CB 3.81Å; L137-I161 WeakPolarHBondContact CA-O 2.94Å; L137-Y162 HydrophobicContact CB-CD1 3.98Å; L137-Y162 HydrophobicContact CB-CE1 3.92Å; L137-Y162 HydrophobicContact CD2-CE1 4.47Å | ||
| 138 | L | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118.6 | 165.2 | 165.3 | 60.1 | 0 | 0 | 0 | 108.2 | L82 P84 F86 I88 L98 I131 L132 N133 I140 L160 I161 | L82-L138 HydrophobicContact CD2-CD1 3.7Å; L82-L138 HydrophobicContact CD2-CD2 3.89Å; L82-L138 HydrophobicContact CD2-CG 4.44Å; P84-L138 HydrophobicContact CB-CD2 4.18Å; P84-L138 HydrophobicContact CG-CD2 4.1Å; F86-L138 HydrophobicContact CE1-CB 4.06Å; F86-L138 HydrophobicContact CZ-CB 3.89Å; I88-L138 HydrophobicContact CD1-CD2 4.24Å; L98-L138 HydrophobicContact CD1-CD2 4.26Å; L98-L138 HydrophobicContact CD2-CD2 3.99Å; I131-L138 HydrophobicContact CG2-CD1 4.01Å; L132-L138 CarbonylContact O-C 3.24Å; L132-L138 WeakPolarHBondContact O-CA 3.01Å; L132-L138 WeakPolarHBondContact O-CD1 3.19Å; N133-L138 HydrophobicContact CB-CD1 4.04Å; L138-I140 HydrophobicContact CD1-CD1 4.41Å; L138-I140 HydrophobicContact CD1-CG1 3.99Å; L138-I140 HydrophobicContact CD2-CD1 4.26Å; L138-I140 HydrophobicContact CG-CD1 4.33Å; L138-I140 HydrophobicContact CG-CG1 4.21Å; L138-L160 CarbonylContact O-C 3.59Å; L138-L160 WeakPolarHBondContact O-CA 3.16Å; L138-I161 HydrophobicContact CB-CB 4.28Å; L138-I161 HydrophobicContact CD2-CD1 4.03Å; L138-I161 HydrophobicContact CG-CD1 4.41Å; L138-I161 PolarHBondContact N-O 3.07Å; L138-I161 PolarHBondContact O-N 3.12Å |
| 139 | A | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | F73 I131 L132 L137 T158 S159 L160 | F73-A139 HydrophobicContact CE1-CB 3.68Å; F73-A139 HydrophobicContact CZ-CB 3.8Å; I131-A139 WeakPolarHBondContact CA-O 3.37Å; L132-A139 HydrophobicContact CB-CB 4.24Å; L132-A139 PolarHBondContact N-O 2.87Å; L132-A139 PolarHBondContact O-N 2.81Å; L137-A139 HydrophobicContact CD1-CB 3.81Å; A139-T158 HydrophobicContact CB-CG2 4.22Å; A139-S159 CarbonylContact C-O 3.6Å; A139-S159 WeakPolarHBondContact CA-O 3.34Å; A139-L160 HydrophobicContact CB-CD2 4.44Å; A139-L160 HydrophobicContact CB-CG 4.33Å |
| 140 | I | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 116.6 | 178.2 | -59.9 | 170.7 | 0 | 0 | 0 | 107.4 | L82 L98 I100 I106 L129 I131 L138 L142 S159 | L82-I140 HydrophobicContact CD2-CD1 4.19Å; L98-I140 HydrophobicContact CD2-CD1 4Å; I100-I140 HydrophobicContact CD1-CD1 4.5Å; I106-I140 HydrophobicContact CD1-CB 4.03Å; I106-I140 HydrophobicContact CD1-CD1 3.98Å; I106-I140 HydrophobicContact CD1-CG2 3.8Å; I106-I140 HydrophobicContact CG1-CD1 4.42Å; I106-I140 HydrophobicContact CG1-CG2 4.39Å; I106-I140 HydrophobicContact CG2-CD1 3.99Å; L129-I140 HydrophobicContact CD1-CG2 3.7Å; I131-I140 HydrophobicContact CG1-CG1 4.46Å; L138-I140 HydrophobicContact CD1-CD1 4.41Å; L138-I140 HydrophobicContact CD1-CG1 3.99Å; L138-I140 HydrophobicContact CD2-CD1 4.26Å; L138-I140 HydrophobicContact CG-CD1 4.33Å; L138-I140 HydrophobicContact CG-CG1 4.21Å; I140-L142 HydrophobicContact CG2-CD2 3.88Å; I140-S159 PolarHBondContact N-O 3.13Å; I140-S159 PolarHBondContact O-N 3.11Å |
| 141 | R | 96.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 1% | 0.011 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.1 | -176.3 | 172.7 | -177 | -78.1 | -177.8 | -5.3 | 109.8 | N70 F73 E130 K156 V157 T158 D172 | N70-R141 VanDerWaalsContact OD1-CZ 3.28Å; N70-R141 PolarHBondContact OD1-NH1 2.76Å; N70-R141 PolarHBondContact OD1-NH2 2.68Å; F73-R141 HydrophobicContact CD1-CB 4.22Å; F73-R141 HydrophobicContact CE1-CB 3.92Å; E130-R141 HydrophobicContact CB-CB 4.17Å; E130-R141 PolarHBondContact N-O 3.24Å; E130-R141 PolarHBondContact O-N 2.92Å; E130-R141 WeakPolarHBondContact OE2-CD 3.3Å; R141-K156 HydrophobicContact CG-CG 4.43Å; R141-V157 WeakPolarHBondContact CA-O 3.46Å; R141-T158 HydrophobicContact CB-CG2 4.41Å; R141-T158 PolarHBondContact NE-OG1 2.8Å; R141-D172 IonicContact CZ-OD1 2.68Å; R141-D172 IonicContact NE-OD1 3.8Å; R141-D172 IonicContact NH2-OD1 3.45Å; R141-D172 PolarHBondContact NH2-OD1 3.17Å |
| 142 | L | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.8 | -178 | -46.5 | 175.2 | 0 | 0 | 0 | 108 | I100 G104 N119 M126 L129 I140 Y144 K156 V157 | I100-L142 HydrophobicContact CG2-CD2 4.34Å; G104-L142 WeakPolarHBondContact O-CD1 3.14Å; N119-L142 HydrophobicContact CB-CD1 4.25Å; N119-L142 VanDerWaalsContact O-CD1 3.31Å; N119-L142 WeakPolarHBondContact O-CD1 3.43Å; M126-L142 HydrophobicContact CE-CD2 4.05Å; M126-L142 HydrophobicContact SD-CB 3.84Å; M126-L142 HydrophobicContact SD-CD2 3.29Å; M126-L142 WeakPolarHBondContact SD-CD2 3.37Å; M126-L142 HydrophobicContact SD-CG 4.11Å; L129-L142 HydrophobicContact CD1-CD2 3.6Å; I140-L142 HydrophobicContact CG2-CD2 3.88Å; L142-Y144 HydrophobicContact CB-CE2 3.9Å; L142-K156 WeakPolarHBondContact O-CA 3.32Å; L142-V157 HydrophobicContact CB-CG1 4.11Å; L142-V157 HydrophobicContact CD1-CG1 4.46Å; L142-V157 PolarHBondContact N-O 3.25Å; L142-V157 PolarHBondContact O-N 3.38Å |
| 143 | T | 94.9 | Very high | 91 | Very high | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.043 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.2 | 174 | -52.2 | 0 | 0 | 0 | 0 | 109.8 | S127 N128 H145 T154 | S127-T143 PolarHBondContact N-O 3.2Å; N128-T143 PolarHBondContact N-O 3.23Å; N128-T143 PolarHBondContact O-N 2.78Å; T143-H145 WeakPolarHBondContact CG2-NE2 3.26Å; T143-T154 HydrophobicContact CG2-CG2 3.94Å |
| 144 | Y | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.4 | 173.2 | -58 | -103 | 0 | 0 | 0 | 108.2 | Y103 G104 N119 F120 L121 F124 E125 M126 L142 T154 F155 | Y103-Y144 PolarHBondContact O-OH 3.21Å; G104-Y144 WeakPolarHBondContact CA-OH 3.17Å; N119-Y144 PolarHBondContact O-OH 2.84Å; F120-Y144 WeakPolarHBondContact CA-OH 3.3Å; F120-Y144 VanDerWaalsContact CB-OH 3.28Å; F120-Y144 WeakPolarHBondContact CB-OH 3.43Å; L121-Y144 HydrophobicContact CB-CD1 3.95Å; L121-Y144 HydrophobicContact CB-CE1 4.35Å; L121-Y144 HydrophobicContact CB-CG 4.05Å; F124-Y144 HydrophobicContact CB-CD1 4.15Å; E125-Y144 WeakPolarHBondContact O-CD1 3.48Å; M126-Y144 HydrophobicContact CB-CD1 4.42Å; M126-Y144 HydrophobicContact CB-CE1 4.01Å; L142-Y144 HydrophobicContact CB-CE2 3.9Å; Y144-T154 WeakPolarHBondContact O-CA 3.39Å; Y144-F155 HydrophobicContact CD2-CB 4.48Å; Y144-F155 AromaticContact CD2-CD1 3.49Å; Y144-F155 HydrophobicContact CD2-CD1 3.49Å; Y144-F155 VanDerWaalsContact CD2-CD1 3.49Å; Y144-F155 HydrophobicContact CD2-CE1 4.19Å; Y144-F155 HydrophobicContact CD2-CG 4.4Å; Y144-F155 WeakPolarHBondContact CD2-O 3.4Å; Y144-F155 AromaticContact CE2-CD1 3.89Å; Y144-F155 HydrophobicContact CE2-CD1 3.89Å; Y144-F155 HydrophobicContact CE2-CE1 4.13Å; Y144-F155 HydrophobicContact CG-CD1 4.25Å; Y144-F155 PolarHBondContact N-O 2.92Å; Y144-F155 PolarHBondContact O-N 2.95Å |
| 145 | H | 90.7 | Very high | 90.8 | Very high | 101 Ų | 101 | 54.4 Ų | 54.4 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.4 | 170.6 | -65.8 | -61.7 | 0 | 0 | 0 | 110.4 | S127 T143 F153 T154 | S127-H145 PolarHBondContact OG-N 3.19Å; T143-H145 WeakPolarHBondContact CG2-NE2 3.26Å; H145-F153 WeakPolarHBondContact CA-O 3.33Å; H145-T154 PolarHBondContact CE1-OG1 3.27Å; H145-T154 PolarHBondContact ND1-OG1 3.49Å; H145-T154 VanDerWaalsContact ND1-OG1 3.11Å |
| 146 | K | 84.9 | Confident | 90.8 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 18% | 0.183 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.9 | 170.4 | 175.6 | -169.2 | 179.7 | -148.6 | 0 | 108.2 | F124 D148 F153 F178 | F124-K146 HydrophobicContact CD1-CB 4.33Å; F124-K146 HydrophobicContact CE1-CB 3.87Å; F124-K146 HydrophobicContact CE1-CD 3.74Å; F124-K146 HydrophobicContact CE1-CG 3.61Å; F124-K146 HydrophobicContact CZ-CB 4.47Å; F124-K146 HydrophobicContact CZ-CD 3.56Å; F124-K146 HydrophobicContact CZ-CG 4.01Å; K146-D148 WeakPolarHBondContact CE-OD2 3.43Å; K146-D148 IonicContact NZ-OD2 2.76Å; K146-D148 PolarHBondContact NZ-OD2 3.09Å; K146-F153 HydrophobicContact CB-CB 4.35Å; K146-F153 HydrophobicContact CB-CD2 4.5Å; K146-F153 HydrophobicContact CD-CD2 4.27Å; K146-F153 HydrophobicContact CG-CD2 4.35Å; K146-F153 PolarHBondContact N-O 2.94Å; K146-F153 WeakPolarHBondContact O-CD2 3.32Å; K146-F153 PolarHBondContact O-N 3.44Å; K146-F178 HydrophobicContact CB-CE1 3.99Å; K146-F178 HydrophobicContact CB-CZ 4.13Å; K146-F178 HydrophobicContact CD-CE1 3.97Å |
| 147 | Q | 84.9 | Confident | 90.9 | Very high | 142 Ų | 142 | 42.9 Ų | 42.9 | 66% | 0.664 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.1 | 165.9 | -166.9 | 171.4 | 26.9 | 0 | 0 | 108.9 | E151 N152 | Q147-E151 CarbonylContact C-O 3.6Å; Q147-E151 WeakPolarHBondContact CA-O 3.14Å; Q147-N152 WeakPolarHBondContact CG-OD1 3.11Å |
| 148 | D | 78.6 | Confident | 91 | Very high | 67 Ų | 67 | 42 Ų | 42 | 36% | 0.358 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 128 | 173.3 | -153.1 | -10.7 | 0 | 0 | 0 | 108.6 | K146 G150 E151 F153 | K146-D148 WeakPolarHBondContact CE-OD2 3.43Å; K146-D148 IonicContact NZ-OD2 2.76Å; K146-D148 PolarHBondContact NZ-OD2 3.09Å; D148-G150 PolarHBondContact O-N 3.2Å; D148-E151 PolarHBondContact N-O 2.76Å; D148-E151 PolarHBondContact O-N 3.11Å; D148-F153 HydrophobicContact CB-CD2 4.14Å; D148-F153 HydrophobicContact CB-CE2 3.47Å; D148-F153 VanDerWaalsContact CB-CE2 3.47Å; D148-F153 HydrophobicContact CB-CZ 4.43Å |
| 149 | N | 81.7 | Confident | 91 | Very high | 165 Ų | 165 | 42 Ų | 42 | 88% | 0.882 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 30.9 | 180 | -61.5 | -30.1 | 0 | 0 | 0 | 115.8 | E151 | N149-E151 VanDerWaalsContact C-N 3.3Š|
| 150 | G | 81.5 | Confident | 91 | Very high | 62 Ų | 62 | 42 Ų | 42 | 64% | 0.639 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -6.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D148 | D148-G150 PolarHBondContact O-N 3.2Š|
| 151 | E | 84.1 | Confident | 91.1 | Very high | 107 Ų | 107 | 42 Ų | 42 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 142.4 | 173.2 | -168.8 | 173 | -167.7 | 0 | 0 | 110.5 | Q147 D148 N149 F153 | Q147-E151 CarbonylContact C-O 3.6Å; Q147-E151 WeakPolarHBondContact CA-O 3.14Å; D148-E151 PolarHBondContact N-O 2.76Å; D148-E151 PolarHBondContact O-N 3.11Å; N149-E151 VanDerWaalsContact C-N 3.3Å; E151-F153 HydrophobicContact CB-CE1 4.17Å; E151-F153 HydrophobicContact CB-CE2 3.97Å; E151-F153 HydrophobicContact CB-CZ 3.55Å; E151-F153 VanDerWaalsContact CD-CZ 3.42Å; E151-F153 HydrophobicContact CG-CD1 4.39Å; E151-F153 HydrophobicContact CG-CE1 3.52Å; E151-F153 HydrophobicContact CG-CE2 4.18Å; E151-F153 HydrophobicContact CG-CZ 3.45Å; E151-F153 VanDerWaalsContact CG-CZ 3.45Å; E151-F153 WeakPolarHBondContact O-CE2 3.31Å; E151-F153 VanDerWaalsContact OE2-CZ 3.28Å; E151-F153 WeakPolarHBondContact OE2-CZ 3.28Å |
| 152 | N | 85.4 | Confident | 91.1 | Very high | 117 Ų | 117 | 44.7 Ų | 44.7 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.7 | -179.8 | -72.7 | -25.2 | 0 | 0 | 0 | 109.8 | Q147 | Q147-N152 WeakPolarHBondContact CG-OD1 3.11Å |
| 153 | F | 88.6 | Confident | 90.9 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 4% | 0.044 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.1 | 178.9 | -51 | -71 | 0 | 0 | 0 | 109.8 | H145 K146 D148 E151 A175 E177 F178 | H145-F153 WeakPolarHBondContact CA-O 3.33Å; K146-F153 HydrophobicContact CB-CB 4.35Å; K146-F153 HydrophobicContact CB-CD2 4.5Å; K146-F153 HydrophobicContact CD-CD2 4.27Å; K146-F153 HydrophobicContact CG-CD2 4.35Å; K146-F153 PolarHBondContact N-O 2.94Å; K146-F153 WeakPolarHBondContact O-CD2 3.32Å; K146-F153 PolarHBondContact O-N 3.44Å; D148-F153 HydrophobicContact CB-CD2 4.14Å; D148-F153 HydrophobicContact CB-CE2 3.47Å; D148-F153 VanDerWaalsContact CB-CE2 3.47Å; D148-F153 HydrophobicContact CB-CZ 4.43Å; E151-F153 HydrophobicContact CB-CE1 4.17Å; E151-F153 HydrophobicContact CB-CE2 3.97Å; E151-F153 HydrophobicContact CB-CZ 3.55Å; E151-F153 VanDerWaalsContact CD-CZ 3.42Å; E151-F153 HydrophobicContact CG-CD1 4.39Å; E151-F153 HydrophobicContact CG-CE1 3.52Å; E151-F153 HydrophobicContact CG-CE2 4.18Å; E151-F153 HydrophobicContact CG-CZ 3.45Å; E151-F153 VanDerWaalsContact CG-CZ 3.45Å; E151-F153 WeakPolarHBondContact O-CE2 3.31Å; E151-F153 VanDerWaalsContact OE2-CZ 3.28Å; E151-F153 WeakPolarHBondContact OE2-CZ 3.28Å; F153-A175 HydrophobicContact CB-CB 3.84Å; F153-A175 HydrophobicContact CD1-CB 4.01Å; F153-A175 HydrophobicContact CG-CB 4.43Å; F153-E177 HydrophobicContact CD1-CB 3.56Å; F153-E177 HydrophobicContact CD1-CG 3.69Å; F153-E177 WeakPolarHBondContact CD1-OE2 3.47Å; F153-E177 HydrophobicContact CE1-CB 3.44Å; F153-E177 VanDerWaalsContact CE1-CB 3.44Å; F153-E177 HydrophobicContact CE1-CG 3.11Å; F153-E177 WeakPolarHBondContact CE1-OE2 3.47Å; F153-E177 HydrophobicContact CG-CB 4.2Å; F153-E177 HydrophobicContact CZ-CB 3.98Å; F153-E177 HydrophobicContact CZ-CG 3.74Å; F153-F178 HydrophobicContact CB-CE1 3.94Å; F153-F178 HydrophobicContact CB-CE2 3.69Å; F153-F178 HydrophobicContact CB-CZ 3.34Å |
| 154 | T | 93.1 | Very high | 90.7 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.8 | 180 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | T143 Y144 H145 K156 E173 A175 F178 | T143-T154 HydrophobicContact CG2-CG2 3.94Å; Y144-T154 WeakPolarHBondContact O-CA 3.39Å; H145-T154 PolarHBondContact CE1-OG1 3.27Å; H145-T154 PolarHBondContact ND1-OG1 3.49Å; H145-T154 VanDerWaalsContact ND1-OG1 3.11Å; T154-K156 HydrophobicContact CG2-CB 4.15Å; T154-E173 WeakPolarHBondContact CB-OE1 3.36Å; T154-A175 PolarHBondContact O-N 2.97Å; T154-A175 VanDerWaalsContact O-N 3.1Å; T154-F178 VanDerWaalsContact C-CE2 3.44Å; T154-F178 WeakPolarHBondContact O-CE2 3.28Å |
| 155 | F | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 109.5 | 164.9 | 174.8 | -119.4 | 0 | 0 | 0 | 107.4 | L121 Y144 V157 Y171 E173 V174 F178 V183 I211 | L121-F155 HydrophobicContact CB-CD1 4.09Å; Y144-F155 HydrophobicContact CD2-CB 4.48Å; Y144-F155 AromaticContact CD2-CD1 3.49Å; Y144-F155 HydrophobicContact CD2-CD1 3.49Å; Y144-F155 VanDerWaalsContact CD2-CD1 3.49Å; Y144-F155 HydrophobicContact CD2-CE1 4.19Å; Y144-F155 HydrophobicContact CD2-CG 4.4Å; Y144-F155 WeakPolarHBondContact CD2-O 3.4Å; Y144-F155 AromaticContact CE2-CD1 3.89Å; Y144-F155 HydrophobicContact CE2-CD1 3.89Å; Y144-F155 HydrophobicContact CE2-CE1 4.13Å; Y144-F155 HydrophobicContact CG-CD1 4.25Å; Y144-F155 PolarHBondContact N-O 2.92Å; Y144-F155 PolarHBondContact O-N 2.95Å; F155-V157 HydrophobicContact CE1-CB 4.37Å; F155-V157 HydrophobicContact CE1-CG1 3.74Å; F155-V157 HydrophobicContact CE2-CB 4.3Å; F155-V157 HydrophobicContact CZ-CB 3.9Å; F155-V157 HydrophobicContact CZ-CG1 3.75Å; F155-Y171 HydrophobicContact CE2-CD1 4.01Å; F155-Y171 HydrophobicContact CZ-CD1 4.32Å; F155-Y171 HydrophobicContact CZ-CE1 4.48Å; F155-E173 CarbonylContact C-O 3.56Å; F155-E173 WeakPolarHBondContact CA-O 3.31Å; F155-V174 HydrophobicContact CD2-CB 4.48Å; F155-V174 HydrophobicContact CD2-CG1 4.26Å; F155-V174 HydrophobicContact CD2-CG2 4.02Å; F155-V174 HydrophobicContact CE2-CG2 4.04Å; F155-F178 HydrophobicContact CB-CD2 4.08Å; F155-F178 HydrophobicContact CB-CE2 3.77Å; F155-F178 HydrophobicContact CB-CZ 4.38Å; F155-V183 HydrophobicContact CD2-CG1 4.35Å; F155-V183 HydrophobicContact CD2-CG2 4.42Å; F155-V183 HydrophobicContact CE1-CG1 4.06Å; F155-V183 HydrophobicContact CE2-CG1 3.61Å; F155-V183 HydrophobicContact CE2-CG2 4.43Å; F155-V183 HydrophobicContact CZ-CG1 3.44Å; F155-V183 VanDerWaalsContact CZ-CG1 3.44Å; F155-I211 HydrophobicContact CE2-CG2 4.36Å |
| 156 | K | 95.6 | Very high | 90.8 | Very high | 42 Ų | 42 | 49 Ų | 49 | 18% | 0.183 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.8 | -178.5 | -170.3 | 176.9 | -176.2 | 169.1 | 0 | 109.1 | E130 R141 L142 T154 D172 E173 | E130-K156 IonicContact OE2-NZ 3.44Å; R141-K156 HydrophobicContact CG-CG 4.43Å; L142-K156 WeakPolarHBondContact O-CA 3.32Å; T154-K156 HydrophobicContact CG2-CB 4.15Å; K156-D172 HydrophobicContact CB-CB 4.01Å; K156-D172 HydrophobicContact CD-CB 3.92Å; K156-D172 HydrophobicContact CG-CB 3.77Å; K156-D172 PolarHBondContact O-N 2.93Å; K156-E173 HydrophobicContact CB-CB 3.96Å; K156-E173 PolarHBondContact N-O 3.27Å; K156-E173 PolarHBondContact O-N 3.4Å; K156-E173 VanDerWaalsContact O-N 3.12Å |
| 157 | V | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 130 | -175.2 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | N119 R141 L142 F155 Y170 Y171 | N119-V157 HydrophobicContact CB-CG1 3.88Å; N119-V157 HydrophobicContact CB-CG2 4.15Å; R141-V157 WeakPolarHBondContact CA-O 3.46Å; L142-V157 HydrophobicContact CB-CG1 4.11Å; L142-V157 HydrophobicContact CD1-CG1 4.46Å; L142-V157 PolarHBondContact N-O 3.25Å; L142-V157 PolarHBondContact O-N 3.38Å; F155-V157 HydrophobicContact CE1-CB 4.37Å; F155-V157 HydrophobicContact CE1-CG1 3.74Å; F155-V157 HydrophobicContact CE2-CB 4.3Å; F155-V157 HydrophobicContact CZ-CB 3.9Å; F155-V157 HydrophobicContact CZ-CG1 3.75Å; V157-Y170 WeakPolarHBondContact CA-O 3.26Å; V157-Y171 HydrophobicContact CB-CD1 4.2Å; V157-Y171 HydrophobicContact CG2-CD1 3.7Å; V157-Y171 HydrophobicContact CG2-CE1 3.9Å |
| 158 | T | 97.7 | Very high | 92 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.3 | 176.8 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | F73 A139 R141 L160 F169 Y170 D172 | F73-T158 HydrophobicContact CE1-CG2 4.39Å; F73-T158 HydrophobicContact CZ-CG2 3.97Å; A139-T158 HydrophobicContact CB-CG2 4.22Å; R141-T158 HydrophobicContact CB-CG2 4.41Å; R141-T158 PolarHBondContact NE-OG1 2.8Å; T158-L160 HydrophobicContact CG2-CD1 4.12Å; T158-L160 HydrophobicContact CG2-CG 4.24Å; T158-F169 WeakPolarHBondContact O-CA 3.48Å; T158-Y170 PolarHBondContact N-O 3.22Å; T158-Y170 PolarHBondContact O-N 3.34Å; T158-D172 WeakPolarHBondContact CB-OD2 3.47Å; T158-D172 PolarHBondContact N-OD2 3.48Å; T158-D172 VanDerWaalsContact N-OD2 3.07Å; T158-D172 PolarHBondContact OG1-OD1 3.4Å; T158-D172 PolarHBondContact OG1-OD2 3.27Å |
| 159 | S | 98 | Very high | 93 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.7 | 173.8 | -50 | 0 | 0 | 0 | 0 | 109.4 | N119 A139 I140 A168 | N119-S159 PolarHBondContact ND2-OG 3.07Å; A139-S159 CarbonylContact C-O 3.6Å; A139-S159 WeakPolarHBondContact CA-O 3.34Å; I140-S159 PolarHBondContact N-O 3.13Å; I140-S159 PolarHBondContact O-N 3.11Å; S159-A168 CarbonylContact C-O 3.59Å; S159-A168 WeakPolarHBondContact CA-O 3.47Å |
| 160 | L | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 138.1 | 178.5 | -54.1 | 97.7 | 0 | 0 | 0 | 110.4 | P67 V68 L138 A139 T158 Y162 I167 A168 | P67-L160 HydrophobicContact CB-CD2 4.05Å; P67-L160 HydrophobicContact CG-CD1 3.66Å; P67-L160 HydrophobicContact CG-CD2 3.77Å; P67-L160 HydrophobicContact CG-CG 4.39Å; V68-L160 HydrophobicContact CG2-CD2 3.59Å; L138-L160 CarbonylContact O-C 3.59Å; L138-L160 WeakPolarHBondContact O-CA 3.16Å; A139-L160 HydrophobicContact CB-CD2 4.44Å; A139-L160 HydrophobicContact CB-CG 4.33Å; T158-L160 HydrophobicContact CG2-CD1 4.12Å; T158-L160 HydrophobicContact CG2-CG 4.24Å; L160-Y162 HydrophobicContact CB-CE2 3.89Å; L160-I167 CarbonylContact O-C 3.51Å; L160-I167 WeakPolarHBondContact O-CA 3.09Å; L160-A168 HydrophobicContact CB-CB 4.24Å; L160-A168 HydrophobicContact CD1-CB 4.12Å; L160-A168 PolarHBondContact N-O 3.35Å; L160-A168 PolarHBondContact O-N 3.22Å |
| 161 | I | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.8 | 179.5 | -57.2 | 168.5 | 0 | 0 | 0 | 107.3 | F86 I88 L98 M108 I117 L137 L138 I167 | F86-I161 HydrophobicContact CE2-CG2 4.22Å; F86-I161 HydrophobicContact CZ-CG2 4.34Å; F86-I161 WeakPolarHBondContact CZ-O 3.08Å; I88-I161 HydrophobicContact CB-CG2 4.36Å; I88-I161 HydrophobicContact CD1-CD1 4.3Å; I88-I161 HydrophobicContact CD1-CG2 3.98Å; I88-I161 HydrophobicContact CG1-CG2 3.88Å; I88-I161 HydrophobicContact CG2-CG2 3.58Å; L98-I161 HydrophobicContact CD2-CD1 4Å; M108-I161 HydrophobicContact CE-CD1 3.45Å; M108-I161 VanDerWaalsContact CE-CD1 3.45Å; M108-I161 HydrophobicContact CE-CG1 4.3Å; I117-I161 HydrophobicContact CD1-CD1 3.99Å; I117-I161 HydrophobicContact CD1-CG1 4.04Å; L137-I161 WeakPolarHBondContact CA-O 2.94Å; L138-I161 HydrophobicContact CB-CB 4.28Å; L138-I161 HydrophobicContact CD2-CD1 4.03Å; L138-I161 HydrophobicContact CG-CD1 4.41Å; L138-I161 PolarHBondContact N-O 3.07Å; L138-I161 PolarHBondContact O-N 3.12Å; I161-I167 HydrophobicContact CB-CD1 4.17Å; I161-I167 HydrophobicContact CG1-CD1 3.89Å; I161-I167 HydrophobicContact CG2-CD1 3.83Å |
| 162 | Y | 96.6 | Very high | 95.1 | Very high | 58 Ų | 58 | 23.4 Ų | 23.4 | 23% | 0.227 | 12% | 0.12 | C | C | . | . | trans | -113 | 153.3 | -179.4 | -62.7 | -91.4 | 0 | 0 | 0 | 111.3 | L137 L160 N164 G165 K166 A168 | L137-Y162 HydrophobicContact CB-CD1 3.98Å; L137-Y162 HydrophobicContact CB-CE1 3.92Å; L137-Y162 HydrophobicContact CD2-CE1 4.47Å; L160-Y162 HydrophobicContact CB-CE2 3.89Å; Y162-N164 VanDerWaalsContact CB-OD1 3.31Å; Y162-N164 WeakPolarHBondContact CB-OD1 3.44Å; Y162-N164 PolarHBondContact O-N 2.54Å; Y162-N164 VanDerWaalsContact O-N 3.13Å; Y162-G165 PolarHBondContact O-N 2.96Å; Y162-K166 HydrophobicContact CD2-CB 3.95Å; Y162-K166 HydrophobicContact CD2-CD 4.17Å; Y162-K166 HydrophobicContact CD2-CG 3.86Å; Y162-K166 WeakPolarHBondContact CD2-O 3.5Å; Y162-K166 HydrophobicContact CE2-CD 4.38Å; Y162-K166 HydrophobicContact CE2-CG 4.33Å; Y162-K166 HydrophobicContact CG-CB 4.35Å; Y162-K166 PolarHBondContact N-O 2.85Å; Y162-A168 HydrophobicContact CE2-CB 4.46Å | ||
| 163 | P | 92.7 | Very high | 95.5 | Very high | 53 Ų | 53 | 22.1 Ų | 22.1 | 34% | 0.344 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.9 | 179.9 | -26.6 | 32.8 | 0 | 0 | 0 | 114.7 | F86 K135 E136 G165 | F86-P163 HydrophobicContact CB-CB 4.48Å; F86-P163 HydrophobicContact CB-CG 4.35Å; F86-P163 HydrophobicContact CD1-CG 3.99Å; F86-P163 HydrophobicContact CD2-CB 3.95Å; F86-P163 HydrophobicContact CD2-CG 3.87Å; F86-P163 HydrophobicContact CE1-CG 4.24Å; F86-P163 HydrophobicContact CE2-CB 4.38Å; F86-P163 HydrophobicContact CE2-CG 4.1Å; F86-P163 HydrophobicContact CG-CB 4.19Å; F86-P163 HydrophobicContact CG-CG 3.81Å; F86-P163 HydrophobicContact CZ-CG 4.3Å; K135-P163 VanDerWaalsContact O-CG 3.3Å; K135-P163 WeakPolarHBondContact O-CG 3.5Å; E136-P163 WeakPolarHBondContact O-CD 3.38Å; P163-G165 PolarHBondContact O-N 3.44Å |
| 164 | N | 89.4 | Confident | 95.7 | Very high | 116 Ų | 116 | 22.5 Ų | 22.5 | 62% | 0.62 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -0.7 | 178.5 | 66.9 | -2 | 0 | 0 | 0 | 113.8 | Y162 K166 | Y162-N164 VanDerWaalsContact CB-OD1 3.31Å; Y162-N164 WeakPolarHBondContact CB-OD1 3.44Å; Y162-N164 PolarHBondContact O-N 2.54Å; Y162-N164 VanDerWaalsContact O-N 3.13Å; N164-K166 VanDerWaalsContact OD1-CB 3.22Å; N164-K166 WeakPolarHBondContact OD1-CB 3.21Å; N164-K166 PolarHBondContact OD1-N 3.28Å |
| 165 | G | 92.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 86.4 | 5.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y56 K89 Y162 P163 | Y56-G165 WeakPolarHBondContact CE1-O 3.48Å; K89-G165 WeakPolarHBondContact O-CA 3.32Å; Y162-G165 PolarHBondContact O-N 2.96Å; P163-G165 PolarHBondContact O-N 3.44Å |
| 166 | K | 95.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 30.4 Ų | 30.4 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | trans | -65 | 136.2 | 166.4 | 177.9 | 174.3 | 178.9 | 158.7 | 0 | 109.1 | Y162 N164 E218 L219 E220 | Y162-K166 HydrophobicContact CD2-CB 3.95Å; Y162-K166 HydrophobicContact CD2-CD 4.17Å; Y162-K166 HydrophobicContact CD2-CG 3.86Å; Y162-K166 WeakPolarHBondContact CD2-O 3.5Å; Y162-K166 HydrophobicContact CE2-CD 4.38Å; Y162-K166 HydrophobicContact CE2-CG 4.33Å; Y162-K166 HydrophobicContact CG-CB 4.35Å; Y162-K166 PolarHBondContact N-O 2.85Å; N164-K166 VanDerWaalsContact OD1-CB 3.22Å; N164-K166 WeakPolarHBondContact OD1-CB 3.21Å; N164-K166 PolarHBondContact OD1-N 3.28Å; K166-E218 WeakPolarHBondContact CE-OE1 3.34Å; K166-E218 IonicContact NZ-OE1 2.58Å; K166-E218 PolarHBondContact NZ-OE1 2.84Å; K166-L219 WeakPolarHBondContact CA-O 3.35Å; K166-E220 HydrophobicContact CD-CG 4.03Å; K166-E220 WeakPolarHBondContact CE-OE1 3.42Å; K166-E220 HydrophobicContact CG-CG 4.03Å; K166-E220 IonicContact NZ-OE1 3.74Å; K166-E220 PolarHBondContact NZ-OE1 2.87Å | ||
| 167 | I | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.6 | 174.6 | -51.7 | -66.2 | 0 | 0 | 0 | 107.1 | I117 L160 I161 F169 F187 L219 | I117-I167 HydrophobicContact CD1-CG2 3.94Å; I117-I167 HydrophobicContact CG1-CG2 4.39Å; L160-I167 CarbonylContact O-C 3.51Å; L160-I167 WeakPolarHBondContact O-CA 3.09Å; I161-I167 HydrophobicContact CB-CD1 4.17Å; I161-I167 HydrophobicContact CG1-CD1 3.89Å; I161-I167 HydrophobicContact CG2-CD1 3.83Å; I167-F169 HydrophobicContact CG2-CD1 4.37Å; I167-F169 HydrophobicContact CG2-CE1 3.59Å; I167-F169 HydrophobicContact CG2-CZ 3.99Å; I167-F187 HydrophobicContact CD1-CE2 4.29Å; I167-F187 HydrophobicContact CD1-CZ 4.21Å; I167-F187 HydrophobicContact CG1-CE1 4.02Å; I167-F187 HydrophobicContact CG1-CE2 4Å; I167-F187 HydrophobicContact CG1-CZ 3.71Å; I167-L219 HydrophobicContact CB-CB 4.21Å; I167-L219 HydrophobicContact CB-CD1 4.43Å; I167-L219 PolarHBondContact N-O 2.86Å; I167-L219 WeakPolarHBondContact O-CA 3.47Å; I167-L219 WeakPolarHBondContact O-CB 3.27Å; I167-L219 PolarHBondContact O-N 2.82Å |
| 168 | A | 98 | Very high | 92.8 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S159 L160 Y162 L216 V217 E218 | S159-A168 CarbonylContact C-O 3.59Å; S159-A168 WeakPolarHBondContact CA-O 3.47Å; L160-A168 HydrophobicContact CB-CB 4.24Å; L160-A168 HydrophobicContact CD1-CB 4.12Å; L160-A168 PolarHBondContact N-O 3.35Å; L160-A168 PolarHBondContact O-N 3.22Å; Y162-A168 HydrophobicContact CE2-CB 4.46Å; A168-L216 HydrophobicContact CB-CD1 4.28Å; A168-V217 CarbonylContact C-O 3.59Å; A168-V217 WeakPolarHBondContact CA-O 3.22Å; A168-V217 WeakPolarHBondContact CB-O 3.01Å; A168-E218 HydrophobicContact CB-CG 4.16Å |
| 169 | F | 98.2 | Very high | 91 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124 | 171.5 | -50.4 | -38.8 | 0 | 0 | 0 | 108.3 | I117 N119 T158 I167 S185 F187 V206 L216 V217 L219 | I117-F169 HydrophobicContact CB-CE1 4.36Å; I117-F169 HydrophobicContact CD1-CE1 4.07Å; I117-F169 HydrophobicContact CG1-CE1 4Å; I117-F169 HydrophobicContact CG1-CZ 4.21Å; I117-F169 HydrophobicContact CG2-CD1 4.34Å; I117-F169 HydrophobicContact CG2-CE1 3.46Å; I117-F169 VanDerWaalsContact CG2-CE1 3.46Å; I117-F169 HydrophobicContact CG2-CZ 3.76Å; N119-F169 WeakPolarHBondContact ND2-CD1 3.36Å; N119-F169 WeakPolarHBondContact ND2-CE1 3.16Å; T158-F169 WeakPolarHBondContact O-CA 3.48Å; I167-F169 HydrophobicContact CG2-CD1 4.37Å; I167-F169 HydrophobicContact CG2-CE1 3.59Å; I167-F169 HydrophobicContact CG2-CZ 3.99Å; F169-S185 WeakPolarHBondContact CD2-OG 3.45Å; F169-F187 HydrophobicContact CE2-CB 4.49Å; F169-F187 HydrophobicContact CZ-CB 4.07Å; F169-V206 HydrophobicContact CD2-CG2 3.97Å; F169-V206 HydrophobicContact CE2-CG2 4.3Å; F169-L216 CarbonylContact O-C 3.56Å; F169-L216 WeakPolarHBondContact O-CA 3.18Å; F169-V217 HydrophobicContact CB-CB 4.28Å; F169-V217 HydrophobicContact CD2-CB 4.45Å; F169-V217 HydrophobicContact CD2-CG1 4.5Å; F169-V217 PolarHBondContact N-O 2.96Å; F169-V217 PolarHBondContact O-N 3.32Å; F169-L219 HydrophobicContact CE2-CD1 4.36Å; F169-L219 HydrophobicContact CZ-CD1 4.47Å |
| 170 | Y | 98.2 | Very high | 89.4 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 6% | 0.055 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.1 | 170.4 | -179.1 | -106 | 0 | 0 | 0 | 108.3 | Q64 P66 P67 V157 T158 D172 L216 | Q64-Y170 WeakPolarHBondContact O-CE2 3.1Å; Q64-Y170 PolarHBondContact O-OH 3.19Å; P66-Y170 HydrophobicContact CB-CD1 4.32Å; P66-Y170 HydrophobicContact CB-CE1 3.71Å; P66-Y170 WeakPolarHBondContact CD-OH 3.43Å; P66-Y170 HydrophobicContact CG-CE1 3.77Å; P66-Y170 WeakPolarHBondContact CG-OH 3.26Å; P67-Y170 VanDerWaalsContact CD-CG 3.48Å; P67-Y170 HydrophobicContact CG-CG 4.27Å; V157-Y170 WeakPolarHBondContact CA-O 3.26Å; T158-Y170 PolarHBondContact N-O 3.22Å; T158-Y170 PolarHBondContact O-N 3.34Å; Y170-D172 HydrophobicContact CD1-CB 4.28Å; Y170-D172 WeakPolarHBondContact CD1-OD1 3.11Å; Y170-D172 HydrophobicContact CE1-CB 4.1Å; Y170-D172 PolarHBondContact O-N 3.47Å; Y170-L216 HydrophobicContact CD2-CB 4.39Å; Y170-L216 HydrophobicContact CD2-CD1 4.33Å |
| 171 | Y | 97.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 93.6 | 176.7 | -56.7 | -79.2 | 0 | 0 | 0 | 108.3 | F155 V157 V174 S185 V206 I211 Q212 S213 G214 T215 V217 | F155-Y171 HydrophobicContact CE2-CD1 4.01Å; F155-Y171 HydrophobicContact CZ-CD1 4.32Å; F155-Y171 HydrophobicContact CZ-CE1 4.48Å; V157-Y171 HydrophobicContact CB-CD1 4.2Å; V157-Y171 HydrophobicContact CG2-CD1 3.7Å; V157-Y171 HydrophobicContact CG2-CE1 3.9Å; Y171-V174 HydrophobicContact CD1-CG2 4.48Å; Y171-V174 HydrophobicContact CG-CG2 4.39Å; Y171-S185 WeakPolarHBondContact OH-CB 3.5Å; Y171-S185 PolarHBondContact OH-OG 2.03Å; Y171-V206 HydrophobicContact CE2-CG1 4.47Å; Y171-V206 WeakPolarHBondContact OH-CG1 3.49Å; Y171-V206 WeakPolarHBondContact OH-CG2 3.41Å; Y171-I211 HydrophobicContact CD1-CG2 3.62Å; Y171-I211 HydrophobicContact CD2-CG2 4.48Å; Y171-I211 HydrophobicContact CE1-CB 4.37Å; Y171-I211 HydrophobicContact CE1-CG1 4.29Å; Y171-I211 HydrophobicContact CE1-CG2 3.47Å; Y171-I211 VanDerWaalsContact CE1-CG2 3.47Å; Y171-I211 HydrophobicContact CE2-CG1 4.31Å; Y171-I211 HydrophobicContact CE2-CG2 4.31Å; Y171-I211 HydrophobicContact CG-CG2 4.13Å; Y171-Q212 WeakPolarHBondContact CB-O 3.08Å; Y171-S213 CarbonylContact O-C 3.56Å; Y171-S213 WeakPolarHBondContact O-CA 2.99Å; Y171-G214 PolarHBondContact O-N 2.6Å; Y171-T215 HydrophobicContact CD2-CG2 4.06Å; Y171-T215 WeakPolarHBondContact CD2-O 3.15Å; Y171-T215 HydrophobicContact CE2-CG2 4.2Å; Y171-T215 PolarHBondContact N-O 2.68Å; Y171-V217 HydrophobicContact CE2-CG2 3.86Å |
| 172 | D | 96.4 | Very high | 87.5 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | -45.5 | -177.9 | -55.7 | -104.9 | 0 | 0 | 0 | 111.4 | R141 K156 T158 Y170 | R141-D172 IonicContact CZ-OD1 2.68Å; R141-D172 IonicContact NE-OD1 3.8Å; R141-D172 IonicContact NH2-OD1 3.45Å; R141-D172 PolarHBondContact NH2-OD1 3.17Å; K156-D172 HydrophobicContact CB-CB 4.01Å; K156-D172 HydrophobicContact CD-CB 3.92Å; K156-D172 HydrophobicContact CG-CB 3.77Å; K156-D172 PolarHBondContact O-N 2.93Å; T158-D172 WeakPolarHBondContact CB-OD2 3.47Å; T158-D172 PolarHBondContact N-OD2 3.48Å; T158-D172 VanDerWaalsContact N-OD2 3.07Å; T158-D172 PolarHBondContact OG1-OD1 3.4Å; T158-D172 PolarHBondContact OG1-OD2 3.27Å; Y170-D172 HydrophobicContact CD1-CB 4.28Å; Y170-D172 WeakPolarHBondContact CD1-OD1 3.11Å; Y170-D172 HydrophobicContact CE1-CB 4.1Å; Y170-D172 PolarHBondContact O-N 3.47Å |
| 173 | E | 94.7 | Very high | 87.2 | Confident | 90 Ų | 90 | 54.8 Ų | 54.8 | 42% | 0.421 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 128.8 | -179.8 | -167.9 | 179.3 | 161 | 0 | 0 | 110.4 | T154 F155 K156 | T154-E173 WeakPolarHBondContact CB-OE1 3.36Å; F155-E173 CarbonylContact C-O 3.56Å; F155-E173 WeakPolarHBondContact CA-O 3.31Å; K156-E173 HydrophobicContact CB-CB 3.96Å; K156-E173 PolarHBondContact N-O 3.27Å; K156-E173 PolarHBondContact O-N 3.4Å; K156-E173 VanDerWaalsContact O-N 3.12Å |
| 174 | V | 93.4 | Very high | 87.2 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 11% | 0.109 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 99.2 | 175.5 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | F155 Y171 I211 S213 | F155-V174 HydrophobicContact CD2-CB 4.48Å; F155-V174 HydrophobicContact CD2-CG1 4.26Å; F155-V174 HydrophobicContact CD2-CG2 4.02Å; F155-V174 HydrophobicContact CE2-CG2 4.04Å; Y171-V174 HydrophobicContact CD1-CG2 4.48Å; Y171-V174 HydrophobicContact CG-CG2 4.39Å; V174-I211 HydrophobicContact CG2-CG2 4.36Å; V174-S213 PolarHBondContact N-OG 3.29Å |
| 175 | A | 91.5 | Very high | 87.4 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 13% | 0.132 | 22% | 0.218 | C | C | . | . | trans | -59.7 | 138.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F153 T154 E177 F178 | F153-A175 HydrophobicContact CB-CB 3.84Å; F153-A175 HydrophobicContact CD1-CB 4.01Å; F153-A175 HydrophobicContact CG-CB 4.43Å; T154-A175 PolarHBondContact O-N 2.97Å; T154-A175 VanDerWaalsContact O-N 3.1Å; A175-E177 PolarHBondContact O-N 2.99Å; A175-F178 HydrophobicContact CB-CD2 3.74Å; A175-F178 HydrophobicContact CB-CE2 3.68Å; A175-F178 WeakPolarHBondContact O-CD2 3.46Å; A175-F178 PolarHBondContact O-N 3.04Å | ||
| 176 | M | 81.5 | Confident | 87.6 | Confident | 167 Ų | 167 | 51.4 Ų | 51.4 | 82% | 0.823 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25.9 | -173.3 | -72.8 | -70 | -156.8 | 0 | 0 | 112.9 | F178 | M176-F178 VanDerWaalsContact C-N 3.26Å; M176-F178 PolarHBondContact O-N 3.23Å |
| 177 | E | 73.4 | Confident | 87.6 | Confident | 84 Ų | 84 | 50 Ų | 50 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -16.6 | -175.4 | -62 | 73.9 | -150.7 | 0 | 0 | 112.2 | F153 A175 R179 | F153-E177 HydrophobicContact CD1-CB 3.56Å; F153-E177 HydrophobicContact CD1-CG 3.69Å; F153-E177 WeakPolarHBondContact CD1-OE2 3.47Å; F153-E177 HydrophobicContact CE1-CB 3.44Å; F153-E177 VanDerWaalsContact CE1-CB 3.44Å; F153-E177 HydrophobicContact CE1-CG 3.11Å; F153-E177 WeakPolarHBondContact CE1-OE2 3.47Å; F153-E177 HydrophobicContact CG-CB 4.2Å; F153-E177 HydrophobicContact CZ-CB 3.98Å; F153-E177 HydrophobicContact CZ-CG 3.74Å; A175-E177 PolarHBondContact O-N 2.99Å; E177-R179 PolarHBondContact O-N 2.98Å |
| 178 | F | 71.2 | Confident | 87.6 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -69.4 | 73.7 | 158.4 | -56.5 | -53.1 | 0 | 0 | 0 | 108.1 | L121 K146 F153 T154 F155 A175 M176 K180 V183 | L121-F178 HydrophobicContact CD1-CB 4.19Å; L121-F178 HydrophobicContact CD1-CD1 3.57Å; L121-F178 HydrophobicContact CD1-CD2 4.46Å; L121-F178 HydrophobicContact CD1-CE1 4.03Å; L121-F178 HydrophobicContact CD1-CG 3.81Å; L121-F178 HydrophobicContact CD2-CD1 3.77Å; L121-F178 HydrophobicContact CD2-CE1 3.31Å; L121-F178 HydrophobicContact CD2-CZ 3.75Å; L121-F178 HydrophobicContact CG-CD1 4.28Å; L121-F178 HydrophobicContact CG-CE1 4.29Å; K146-F178 HydrophobicContact CB-CE1 3.99Å; K146-F178 HydrophobicContact CB-CZ 4.13Å; K146-F178 HydrophobicContact CD-CE1 3.97Å; F153-F178 HydrophobicContact CB-CE1 3.94Å; F153-F178 HydrophobicContact CB-CE2 3.69Å; F153-F178 HydrophobicContact CB-CZ 3.34Å; T154-F178 VanDerWaalsContact C-CE2 3.44Å; T154-F178 WeakPolarHBondContact O-CE2 3.28Å; F155-F178 HydrophobicContact CB-CD2 4.08Å; F155-F178 HydrophobicContact CB-CE2 3.77Å; F155-F178 HydrophobicContact CB-CZ 4.38Å; A175-F178 HydrophobicContact CB-CD2 3.74Å; A175-F178 HydrophobicContact CB-CE2 3.68Å; A175-F178 WeakPolarHBondContact O-CD2 3.46Å; A175-F178 PolarHBondContact O-N 3.04Å; M176-F178 VanDerWaalsContact C-N 3.26Å; M176-F178 PolarHBondContact O-N 3.23Å; F178-K180 PolarHBondContact O-N 3.29Å; F178-V183 HydrophobicContact CB-CG2 4.05Å |
| 179 | R | 60.1 | Low | 87.4 | Confident | 194 Ų | 194 | 51.8 Ų | 51.8 | 73% | 0.732 | 24% | 0.239 | S | C | * | . | trans | -40.7 | 135.9 | 167.9 | -70.4 | -174.4 | 178.6 | 135.5 | 2 | 107 | E177 D181 Y182 | E177-R179 PolarHBondContact O-N 2.98Å; R179-D181 PolarHBondContact O-N 2.77Å; R179-Y182 PolarHBondContact O-N 2.78Å | ||
| 180 | K | 64.1 | Low | 87.2 | Confident | 136 Ų | 136 | 52.7 Ų | 52.7 | 59% | 0.591 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -42.3 | -15.3 | -170.8 | -67.7 | 177.9 | 179.7 | 173.4 | 0 | 115.5 | F178 K208 | F178-K180 PolarHBondContact O-N 3.29Å; K180-K208 HydrophobicContact CB-CB 4.18Å; K180-K208 HydrophobicContact CB-CD 4.33Å; K180-K208 WeakPolarHBondContact O-CD 3.46Å; K180-K208 WeakPolarHBondContact O-CE 3.34Å; K180-K208 WeakPolarHBondContact O-CG 3.5Å; K180-K208 PolarHBondContact O-NZ 2.97Å |
| 181 | D | 70.7 | Confident | 86.8 | Confident | 100 Ų | 100 | 52.1 Ų | 52.1 | 54% | 0.535 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -21.8 | 179.4 | -63.1 | -38 | 0 | 0 | 0 | 117.2 | K122 R179 K208 | K122-D181 WeakPolarHBondContact CD-O 3.4Å; K122-D181 WeakPolarHBondContact CE-O 3.36Å; K122-D181 PolarHBondContact NZ-O 2.99Å; R179-D181 PolarHBondContact O-N 2.77Å; D181-K208 IonicContact OD1-NZ 2.68Å; D181-K208 PolarHBondContact OD1-NZ 2.72Å |
| 182 | Y | 85 | Confident | 86.3 | Confident | 81 Ų | 81 | 56.9 Ų | 56.9 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -83.2 | -37.9 | -179.4 | -68.6 | -80.1 | 0 | 0 | 0 | 113.2 | K122 F124 R179 | K122-Y182 WeakPolarHBondContact CB-O 3.24Å; K122-Y182 WeakPolarHBondContact CG-O 3.16Å; K122-Y182 PolarHBondContact N-O 2.76Å; F124-Y182 HydrophobicContact CE2-CD1 4.21Å; F124-Y182 HydrophobicContact CE2-CE1 4.46Å; R179-Y182 PolarHBondContact O-N 2.78Å |
| 183 | V | 90.2 | Very high | 85.8 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 132.9 | -174.5 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | L121 F155 F178 I211 | L121-V183 HydrophobicContact CD1-CG2 3.87Å; F155-V183 HydrophobicContact CD2-CG1 4.35Å; F155-V183 HydrophobicContact CD2-CG2 4.42Å; F155-V183 HydrophobicContact CE1-CG1 4.06Å; F155-V183 HydrophobicContact CE2-CG1 3.61Å; F155-V183 HydrophobicContact CE2-CG2 4.43Å; F155-V183 HydrophobicContact CZ-CG1 3.44Å; F155-V183 VanDerWaalsContact CZ-CG1 3.44Å; F178-V183 HydrophobicContact CB-CG2 4.05Å; V183-I211 HydrophobicContact CB-CG2 4.38Å; V183-I211 HydrophobicContact CG1-CD1 4.11Å; V183-I211 HydrophobicContact CG1-CG2 3.61Å |
| 184 | V | 92.4 | Very high | 85 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131 | 175 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | L118 N119 F120 K122 W186 | L118-V184 CarbonylContact O-C 3.59Å; L118-V184 VanDerWaalsContact O-O 3.14Å; N119-V184 CarbonylContact C-O 3.5Å; N119-V184 WeakPolarHBondContact CA-O 3.26Å; F120-V184 HydrophobicContact CD1-CB 4.18Å; F120-V184 HydrophobicContact CD1-CG1 4.41Å; F120-V184 HydrophobicContact CE1-CB 3.78Å; F120-V184 HydrophobicContact CE1-CG1 3.73Å; F120-V184 HydrophobicContact CE1-CG2 4.4Å; F120-V184 HydrophobicContact CE2-CB 4.39Å; F120-V184 HydrophobicContact CE2-CG2 4.33Å; F120-V184 HydrophobicContact CZ-CB 3.9Å; F120-V184 HydrophobicContact CZ-CG1 4.08Å; F120-V184 HydrophobicContact CZ-CG2 4.01Å; F120-V184 PolarHBondContact N-O 2.82Å; F120-V184 PolarHBondContact O-N 2.83Å; K122-V184 HydrophobicContact CD-CG2 4.16Å; K122-V184 HydrophobicContact CG-CG2 3.85Å; V184-W186 HydrophobicContact CG1-CD2 4Å; V184-W186 HydrophobicContact CG1-CG 4.23Å; V184-W186 HydrophobicContact CG1-CZ2 4.24Å |
| 185 | S | 95.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 93.4 | 179.2 | -180 | 0 | 0 | 0 | 0 | 111.5 | L118 N119 F169 Y171 V206 | L118-S185 CarbonylContact O-C 3.56Å; L118-S185 WeakPolarHBondContact O-CA 3.5Å; N119-S185 WeakPolarHBondContact OD1-CA 3.31Å; N119-S185 WeakPolarHBondContact OD1-CB 3.34Å; N119-S185 PolarHBondContact OD1-OG 3.01Å; F169-S185 WeakPolarHBondContact CD2-OG 3.45Å; Y171-S185 WeakPolarHBondContact OH-CB 3.5Å; Y171-S185 PolarHBondContact OH-OG 2.03Å; S185-V206 WeakPolarHBondContact O-CB 3.48Å; S185-V206 WeakPolarHBondContact O-CG2 3.3Å; S185-V206 PolarHBondContact O-N 2.84Å |
| 186 | W | 95 | Very high | 82.8 | Confident | 88 Ų | 88 | 69.8 Ų | 69.8 | 33% | 0.333 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 150.7 | -179.3 | -50.8 | -20.6 | 0 | 0 | 0 | 111.8 | L118 V184 V204 K205 | L118-W186 PolarHBondContact N-O 2.93Å; L118-W186 PolarHBondContact O-N 2.77Å; V184-W186 HydrophobicContact CG1-CD2 4Å; V184-W186 HydrophobicContact CG1-CG 4.23Å; V184-W186 HydrophobicContact CG1-CZ2 4.24Å; W186-V204 CarbonylContact C-O 3.6Å; W186-V204 VanDerWaalsContact CA-O 3.28Å; W186-V204 WeakPolarHBondContact CA-O 3.43Å; W186-K205 VanDerWaalsContact CD1-CG 3.42Å; W186-K205 HydrophobicContact CG-CB 4.26Å; W186-K205 HydrophobicContact CG-CG 4.46Å; W186-K205 HydrophobicContact CZ2-CD 4.01Å; W186-K205 VanDerWaalsContact NE1-CD 3.33Å; W186-K205 VanDerWaalsContact NE1-CG 3.29Å |
| 187 | F | 96.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.3 | 168.4 | 179.8 | -125.3 | 0 | 0 | 0 | 109.7 | Y56 V90 Y91 M108 G116 I117 I167 F169 H203 V204 L219 | Y56-F187 HydrophobicContact CD2-CD1 4.5Å; Y56-F187 HydrophobicContact CD2-CE1 4.18Å; Y56-F187 HydrophobicContact CE1-CE1 4.14Å; Y56-F187 HydrophobicContact CE2-CD1 4.34Å; Y56-F187 AromaticContact CE2-CE1 3.6Å; Y56-F187 HydrophobicContact CE2-CE1 3.6Å; Y56-F187 AromaticContact CZ-CE1 3.57Å; V90-F187 HydrophobicContact CG1-CE2 4.26Å; V90-F187 HydrophobicContact CG1-CZ 3.77Å; Y91-F187 HydrophobicContact CD2-CE1 4.03Å; Y91-F187 HydrophobicContact CD2-CZ 4.41Å; Y91-F187 AromaticContact CE2-CD1 3.81Å; Y91-F187 HydrophobicContact CE2-CD1 3.81Å; Y91-F187 AromaticContact CE2-CE1 3.51Å; Y91-F187 HydrophobicContact CE2-CE1 3.51Å; Y91-F187 HydrophobicContact CE2-CZ 4.19Å; M108-F187 HydrophobicContact CE-CE2 4.48Å; G116-F187 WeakPolarHBondContact O-CD2 3.37Å; I117-F187 HydrophobicContact CG1-CD2 3.68Å; I117-F187 HydrophobicContact CG1-CE2 4.13Å; I167-F187 HydrophobicContact CD1-CE2 4.29Å; I167-F187 HydrophobicContact CD1-CZ 4.21Å; I167-F187 HydrophobicContact CG1-CE1 4.02Å; I167-F187 HydrophobicContact CG1-CE2 4Å; I167-F187 HydrophobicContact CG1-CZ 3.71Å; F169-F187 HydrophobicContact CE2-CB 4.49Å; F169-F187 HydrophobicContact CZ-CB 4.07Å; F187-H203 CarbonylContact O-C 3.54Å; F187-H203 WeakPolarHBondContact O-CA 3.47Å; F187-H203 WeakPolarHBondContact O-CB 3.48Å; F187-V204 PolarHBondContact N-O 3.13Å; F187-V204 PolarHBondContact O-N 2.83Å; F187-L219 HydrophobicContact CB-CD1 3.57Å; F187-L219 HydrophobicContact CD1-CD1 3.78Å; F187-L219 HydrophobicContact CG-CD1 3.93Å |
| 188 | T | 96.2 | Very high | 82.8 | Confident | 38 Ų | 38 | 63 Ų | 63 | 23% | 0.233 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 148.8 | -176.7 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | G115 G116 L118 A202 | G115-T188 CarbonylContact C-O 3.54Å; G115-T188 WeakPolarHBondContact CA-O 3.47Å; G116-T188 PolarHBondContact N-O 3Å; G116-T188 WeakPolarHBondContact O-CG2 3.32Å; G116-T188 PolarHBondContact O-N 2.81Å; L118-T188 HydrophobicContact CD1-CG2 3.95Å; T188-A202 CarbonylContact C-O 3.56Å; T188-A202 VanDerWaalsContact CA-O 3.31Å; T188-A202 WeakPolarHBondContact CA-O 3.29Å; T188-A202 PolarHBondContact OG1-O 2.93Å |
| 189 | G | 94.8 | Very high | 83.5 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y91 V114 S201 A202 | Y91-G189 VanDerWaalsContact CE2-N 3.31Å; V114-G189 WeakPolarHBondContact O-CA 3.39Å; G189-S201 VanDerWaalsContact O-CA 3.28Å; G189-S201 WeakPolarHBondContact O-CA 3.22Å; G189-A202 PolarHBondContact N-O 3.3Å; G189-A202 PolarHBondContact O-N 2.84Å |
| 190 | A | 92.7 | Very high | 84.9 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | N93 V114 Y199 | N93-A190 PolarHBondContact ND2-O 3.38Å; V114-A190 PolarHBondContact O-N 3.25Å; A190-Y199 HydrophobicContact CB-CD1 4.21Å |
| 191 | I | 90.4 | Very high | 86.2 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 117.3 | -173.7 | -61.1 | 166.5 | 0 | 0 | 0 | 107.6 | N27 I29 Y54 Y91 C193 Y199 K200 A202 | N27-I191 HydrophobicContact CB-CG2 3.61Å; N27-I191 WeakPolarHBondContact ND2-CG2 3.43Å; I29-I191 HydrophobicContact CD1-CD1 4.22Å; I29-I191 HydrophobicContact CG2-CB 4.27Å; I29-I191 HydrophobicContact CG2-CD1 3.82Å; I29-I191 HydrophobicContact CG2-CG2 3.85Å; Y54-I191 HydrophobicContact CD1-CD1 4.06Å; Y54-I191 HydrophobicContact CE1-CD1 3.49Å; Y54-I191 VanDerWaalsContact CE1-CD1 3.49Å; Y91-I191 HydrophobicContact CD1-CD1 4.05Å; I191-C193 PolarHBondContact O-N 2.97Å; I191-Y199 CarbonylContact O-C 3.56Å; I191-Y199 WeakPolarHBondContact O-CA 3.31Å; I191-K200 WeakPolarHBondContact CB-O 3.42Å; I191-K200 PolarHBondContact N-O 3.08Å; I191-K200 PolarHBondContact O-N 3.45Å; I191-A202 HydrophobicContact CD1-CB 3.75Å |
| 192 | K | 86.6 | Confident | 87.3 | Confident | 99 Ų | 99 | 51 Ų | 51 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 126.1 | 179.5 | -167.7 | 169.4 | -170.1 | 146.6 | 0 | 110.7 | Y199 | K192-Y199 HydrophobicContact CB-CD1 4.26Å; K192-Y199 HydrophobicContact CB-CE1 3.9Å; K192-Y199 HydrophobicContact CD-CE1 4.42Å; K192-Y199 HydrophobicContact CG-CE1 4.13Å; K192-Y199 PolarHBondContact NZ-OH 3.19Å |
| 193 | C | 86.1 | Confident | 87.7 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 5% | 0.054 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 114.5 | 179.2 | -67.3 | 0 | 0 | 0 | 0 | 110.1 | C30 I191 D198 K200 | C30-C193 WeakPolarHBondContact CA-SG 3.1Å; C30-C193 HydrophobicContact CB-CB 3.62Å; C30-C193 WeakPolarHBondContact CB-SG 3.48Å; C30-C193 WeakPolarHBondContact SG-CA 3.42Å; C30-C193 WeakPolarHBondContact SG-CB 2.99Å; C30-C193 CovalentContact SG-SG 2.03Å; C30-C193 PolarHBondContact SG-SG 3.15Å; I191-C193 PolarHBondContact O-N 2.97Å; C193-D198 WeakPolarHBondContact CA-O 3.37Å; C193-D198 HydrophobicContact CB-CB 4.36Å; C193-D198 PolarHBondContact N-O 2.84Å; C193-D198 WeakPolarHBondContact O-CB 3.28Å; C193-K200 HydrophobicContact CB-CG 4.43Å; C193-K200 WeakPolarHBondContact SG-CG 3.35Å |
| 194 | G | 77.1 | Confident | 88 | Confident | 59 Ų | 59 | 49 Ų | 49 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | -172.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 195 | K | 68.7 | Low | 88.2 | Confident | 198 Ų | 198 | 53 Ų | 53 | 86% | 0.861 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -11.9 | -176.1 | -66.2 | -173.5 | 178.7 | -179.1 | 0 | 113.8 | G197 | K195-G197 PolarHBondContact O-N 2.88Š|
| 196 | N | 70.7 | Confident | 88.2 | Confident | 162 Ų | 162 | 53.1 Ų | 53.1 | 87% | 0.866 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.2 | -174.9 | -67.1 | 1.7 | 0 | 0 | 0 | 113.7 | ||
| 197 | G | 72.6 | Confident | 88.1 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 27.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K195 Y199 | K195-G197 PolarHBondContact O-N 2.88Å; G197-Y199 WeakPolarHBondContact O-CD2 3.47Å; G197-Y199 VanDerWaalsContact O-CE2 3.27Å; G197-Y199 WeakPolarHBondContact O-CE2 3.39Å |
| 198 | D | 83 | Confident | 87.9 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 129.9 | 165.5 | -175.3 | 10.4 | 0 | 0 | 0 | 107.5 | C193 K200 | C193-D198 WeakPolarHBondContact CA-O 3.37Å; C193-D198 HydrophobicContact CB-CB 4.36Å; C193-D198 PolarHBondContact N-O 2.84Å; C193-D198 WeakPolarHBondContact O-CB 3.28Å; D198-K200 IonicContact OD1-NZ 2.93Å; D198-K200 PolarHBondContact OD1-NZ 2.91Å; D198-K200 IonicContact OD2-NZ 3.79Å; D198-K200 PolarHBondContact OD2-NZ 2.95Å |
| 199 | Y | 85.6 | Confident | 87.7 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 31% | 0.306 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.5 | 176.8 | -69.8 | -96.3 | 0 | 0 | 0 | 108.6 | E112 A190 I191 K192 G197 | E112-Y199 PolarHBondContact OE1-OH 2.89Å; E112-Y199 PolarHBondContact OE2-OH 3.46Å; A190-Y199 HydrophobicContact CB-CD1 4.21Å; I191-Y199 CarbonylContact O-C 3.56Å; I191-Y199 WeakPolarHBondContact O-CA 3.31Å; K192-Y199 HydrophobicContact CB-CD1 4.26Å; K192-Y199 HydrophobicContact CB-CE1 3.9Å; K192-Y199 HydrophobicContact CD-CE1 4.42Å; K192-Y199 HydrophobicContact CG-CE1 4.13Å; K192-Y199 PolarHBondContact NZ-OH 3.19Å; G197-Y199 WeakPolarHBondContact O-CD2 3.47Å; G197-Y199 VanDerWaalsContact O-CE2 3.27Å; G197-Y199 WeakPolarHBondContact O-CE2 3.39Å |
| 200 | K | 89.8 | Confident | 87.7 | Confident | 66 Ų | 66 | 58 Ų | 58 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 144.6 | 165.2 | -59.4 | -60.3 | 176.6 | -126.9 | 0 | 108.4 | I29 I191 C193 D198 | I29-K200 HydrophobicContact CD1-CB 4.47Å; I29-K200 HydrophobicContact CG1-CB 4.31Å; I29-K200 HydrophobicContact CG2-CB 4.38Å; I191-K200 WeakPolarHBondContact CB-O 3.42Å; I191-K200 PolarHBondContact N-O 3.08Å; I191-K200 PolarHBondContact O-N 3.45Å; C193-K200 HydrophobicContact CB-CG 4.43Å; C193-K200 WeakPolarHBondContact SG-CG 3.35Å; D198-K200 IonicContact OD1-NZ 2.93Å; D198-K200 PolarHBondContact OD1-NZ 2.91Å; D198-K200 IonicContact OD2-NZ 3.79Å; D198-K200 PolarHBondContact OD2-NZ 2.95Å |
| 201 | S | 90.9 | Very high | 87.8 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 141.8 | 170.9 | 55.7 | 0 | 0 | 0 | 0 | 110.2 | K36 G189 | K36-S201 WeakPolarHBondContact CD-O 3.31Å; K36-S201 WeakPolarHBondContact CE-OG 3.39Å; K36-S201 WeakPolarHBondContact CG-O 3.37Å; K36-S201 PolarHBondContact NZ-OG 2.88Å; G189-S201 VanDerWaalsContact O-CA 3.28Å; G189-S201 WeakPolarHBondContact O-CA 3.22Å |
| 202 | A | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | I29 Y54 Y91 T188 G189 I191 | I29-A202 HydrophobicContact CD1-CB 3.81Å; Y54-A202 HydrophobicContact CD1-CB 3.72Å; Y54-A202 HydrophobicContact CE1-CB 4.47Å; Y91-A202 HydrophobicContact CD1-CB 4.08Å; Y91-A202 HydrophobicContact CE1-CB 3.45Å; Y91-A202 VanDerWaalsContact CE1-CB 3.45Å; Y91-A202 PolarHBondContact OH-O 3.48Å; T188-A202 CarbonylContact C-O 3.56Å; T188-A202 VanDerWaalsContact CA-O 3.31Å; T188-A202 WeakPolarHBondContact CA-O 3.29Å; T188-A202 PolarHBondContact OG1-O 2.93Å; G189-A202 PolarHBondContact N-O 3.3Å; G189-A202 PolarHBondContact O-N 2.84Å; I191-A202 HydrophobicContact CD1-CB 3.75Å |
| 203 | H | 94 | Very high | 88.4 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 21% | 0.213 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147 | 175.7 | 57.6 | -91.2 | 0 | 0 | 0 | 113.1 | K36 N37 F187 | K36-H203 PolarHBondContact O-N 3.4Å; N37-H203 PolarHBondContact OD1-CE1 3.05Å; N37-H203 PolarHBondContact OD1-NE2 3.11Å; N37-H203 VanDerWaalsContact OD1-NE2 3.11Å; F187-H203 CarbonylContact O-C 3.54Å; F187-H203 WeakPolarHBondContact O-CA 3.47Å; F187-H203 WeakPolarHBondContact O-CB 3.48Å |
| 204 | V | 96.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.1 | 169.8 | -176.6 | 0 | 0 | 0 | 0 | 108 | N53 Q58 W186 F187 L219 | N53-V204 HydrophobicContact CB-CG1 4.49Å; N53-V204 HydrophobicContact CB-CG2 3.76Å; Q58-V204 HydrophobicContact CB-CG1 4.32Å; W186-V204 CarbonylContact C-O 3.6Å; W186-V204 VanDerWaalsContact CA-O 3.28Å; W186-V204 WeakPolarHBondContact CA-O 3.43Å; F187-V204 PolarHBondContact N-O 3.13Å; F187-V204 PolarHBondContact O-N 2.83Å; V204-L219 HydrophobicContact CB-CD1 4.19Å; V204-L219 HydrophobicContact CB-CD2 4.46Å; V204-L219 HydrophobicContact CG1-CD1 4.26Å; V204-L219 HydrophobicContact CG1-CD2 3.7Å |
| 205 | K | 95.7 | Very high | 89.8 | Confident | 95 Ų | 95 | 56.7 Ų | 56.7 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129 | 179.2 | 168.3 | 164 | -174.3 | -174.8 | 0 | 110.4 | Q58 W186 P207 | Q58-K205 PolarHBondContact NE2-O 3.38Å; W186-K205 VanDerWaalsContact CD1-CG 3.42Å; W186-K205 HydrophobicContact CG-CB 4.26Å; W186-K205 HydrophobicContact CG-CG 4.46Å; W186-K205 HydrophobicContact CZ2-CD 4.01Å; W186-K205 VanDerWaalsContact NE1-CD 3.33Å; W186-K205 VanDerWaalsContact NE1-CG 3.29Å; K205-P207 WeakPolarHBondContact O-CD 3.49Å |
| 206 | V | 96 | Very high | 91.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -76.4 | 122.1 | 165.5 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | I60 F169 Y171 S185 K208 W210 I211 V217 | I60-V206 HydrophobicContact CD1-CG1 4.3Å; F169-V206 HydrophobicContact CD2-CG2 3.97Å; F169-V206 HydrophobicContact CE2-CG2 4.3Å; Y171-V206 HydrophobicContact CE2-CG1 4.47Å; Y171-V206 WeakPolarHBondContact OH-CG1 3.49Å; Y171-V206 WeakPolarHBondContact OH-CG2 3.41Å; S185-V206 WeakPolarHBondContact O-CB 3.48Å; S185-V206 WeakPolarHBondContact O-CG2 3.3Å; S185-V206 PolarHBondContact O-N 2.84Å; V206-K208 PolarHBondContact O-N 3.11Å; V206-W210 HydrophobicContact CG1-CB 4.33Å; V206-I211 HydrophobicContact CB-CD1 4.38Å; V206-I211 HydrophobicContact CB-CG1 4.33Å; V206-I211 HydrophobicContact CG1-CD1 4.36Å; V206-I211 HydrophobicContact CG1-CG1 3.78Å; V206-V217 HydrophobicContact CG1-CG2 3.89Å; V206-V217 HydrophobicContact CG2-CB 4.42Å; V206-V217 HydrophobicContact CG2-CG1 3.95Å; V206-V217 HydrophobicContact CG2-CG2 4.05Å |
| 207 | P | 93.9 | Very high | 92.5 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 22% | 0.221 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 133.8 | 177.1 | -11.8 | 24.9 | 0 | 0 | 0 | 109.9 | K205 K209 W210 | K205-P207 WeakPolarHBondContact O-CD 3.49Å; P207-K209 PolarHBondContact O-N 3.14Å; P207-W210 WeakPolarHBondContact O-CB 3.44Å; P207-W210 PolarHBondContact O-N 3.3Å |
| 208 | K | 92 | Very high | 93.7 | Very high | 69 Ų | 69 | 39.5 Ų | 39.5 | 30% | 0.3 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -50.6 | -33 | -174.4 | -67.2 | 165.4 | 161.2 | -171.5 | 0 | 114.6 | K180 D181 V206 W210 I211 | K180-K208 HydrophobicContact CB-CB 4.18Å; K180-K208 HydrophobicContact CB-CD 4.33Å; K180-K208 WeakPolarHBondContact O-CD 3.46Å; K180-K208 WeakPolarHBondContact O-CE 3.34Å; K180-K208 WeakPolarHBondContact O-CG 3.5Å; K180-K208 PolarHBondContact O-NZ 2.97Å; D181-K208 IonicContact OD1-NZ 2.68Å; D181-K208 PolarHBondContact OD1-NZ 2.72Å; V206-K208 PolarHBondContact O-N 3.11Å; K208-W210 PolarHBondContact O-N 3.38Å; K208-I211 PolarHBondContact O-N 3.07Å; K208-I211 VanDerWaalsContact O-N 3.15Å |
| 209 | K | 91.9 | Very high | 94.4 | Very high | 118 Ų | 118 | 35.9 Ų | 35.9 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -63.8 | -20.8 | 179.8 | 72.1 | 173.9 | -171.8 | 169.7 | 0 | 113.9 | E44 P207 | E44-K209 WeakPolarHBondContact OE1-CE 3.42Å; E44-K209 IonicContact OE1-NZ 2.62Å; E44-K209 PolarHBondContact OE1-NZ 3.36Å; P207-K209 PolarHBondContact O-N 3.14Å |
| 210 | W | 94.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -93.9 | -11.6 | 179 | -66.7 | 103 | 0 | 0 | 0 | 112.6 | E44 N45 Y48 K49 I60 L62 V206 P207 K208 Q212 T215 | E44-W210 HydrophobicContact CG-CZ2 3.99Å; E44-W210 WeakPolarHBondContact OE1-CZ2 3.32Å; E44-W210 PolarHBondContact OE1-NE1 3.34Å; N45-W210 WeakPolarHBondContact O-CH2 3.01Å; Y48-W210 VanDerWaalsContact C-CH2 3.42Å; Y48-W210 WeakPolarHBondContact O-CH2 3.4Å; K49-W210 HydrophobicContact CB-CH2 4.09Å; K49-W210 HydrophobicContact CB-CZ2 3.59Å; K49-W210 HydrophobicContact CD-CZ2 4.46Å; I60-W210 HydrophobicContact CB-CD2 4.38Å; I60-W210 HydrophobicContact CB-CE3 4.29Å; I60-W210 HydrophobicContact CD1-CB 4Å; I60-W210 HydrophobicContact CD1-CD2 4.24Å; I60-W210 HydrophobicContact CD1-CG 3.75Å; I60-W210 HydrophobicContact CG2-CB 3.84Å; I60-W210 HydrophobicContact CG2-CD2 3.71Å; I60-W210 HydrophobicContact CG2-CE3 3.44Å; I60-W210 VanDerWaalsContact CG2-CE3 3.44Å; I60-W210 HydrophobicContact CG2-CG 3.88Å; I60-W210 HydrophobicContact CG2-CZ3 4.25Å; L62-W210 HydrophobicContact CD1-CE3 4.45Å; L62-W210 HydrophobicContact CD1-CZ3 4.1Å; L62-W210 HydrophobicContact CD2-CE3 3.66Å; L62-W210 HydrophobicContact CD2-CZ3 4Å; L62-W210 HydrophobicContact CG-CE3 4Å; L62-W210 HydrophobicContact CG-CZ3 3.79Å; V206-W210 HydrophobicContact CG1-CB 4.33Å; P207-W210 WeakPolarHBondContact O-CB 3.44Å; P207-W210 PolarHBondContact O-N 3.3Å; K208-W210 PolarHBondContact O-N 3.38Å; W210-Q212 PolarHBondContact O-N 2.88Å; W210-T215 VanDerWaalsContact O-CB 3.26Å; W210-T215 WeakPolarHBondContact O-CB 3.36Å; W210-T215 WeakPolarHBondContact O-CG2 3.43Å; W210-T215 PolarHBondContact O-OG1 3.24Å |
| 211 | I | 94.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 8% | 0.082 | 17% | 0.172 | C | C | . | . | trans | -83.4 | 89.2 | -178.2 | -53.4 | 177.1 | 0 | 0 | 0 | 108.7 | F155 Y171 V174 V183 V206 K208 | F155-I211 HydrophobicContact CE2-CG2 4.36Å; Y171-I211 HydrophobicContact CD1-CG2 3.62Å; Y171-I211 HydrophobicContact CD2-CG2 4.48Å; Y171-I211 HydrophobicContact CE1-CB 4.37Å; Y171-I211 HydrophobicContact CE1-CG1 4.29Å; Y171-I211 HydrophobicContact CE1-CG2 3.47Å; Y171-I211 VanDerWaalsContact CE1-CG2 3.47Å; Y171-I211 HydrophobicContact CE2-CG1 4.31Å; Y171-I211 HydrophobicContact CE2-CG2 4.31Å; Y171-I211 HydrophobicContact CG-CG2 4.13Å; V174-I211 HydrophobicContact CG2-CG2 4.36Å; V183-I211 HydrophobicContact CB-CG2 4.38Å; V183-I211 HydrophobicContact CG1-CD1 4.11Å; V183-I211 HydrophobicContact CG1-CG2 3.61Å; V206-I211 HydrophobicContact CB-CD1 4.38Å; V206-I211 HydrophobicContact CB-CG1 4.33Å; V206-I211 HydrophobicContact CG1-CD1 4.36Å; V206-I211 HydrophobicContact CG1-CG1 3.78Å; K208-I211 PolarHBondContact O-N 3.07Å; K208-I211 VanDerWaalsContact O-N 3.15Å | ||
| 212 | Q | 94.1 | Very high | 94.6 | Very high | 77 Ų | 77 | 32.6 Ų | 32.6 | 36% | 0.36 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -146.6 | 161.3 | 178 | 62 | -174.8 | -10.7 | 0 | 0 | 109.9 | L62 Y171 W210 G214 T215 | L62-Q212 HydrophobicContact CD2-CG 4.1Å; Y171-Q212 WeakPolarHBondContact CB-O 3.08Å; W210-Q212 PolarHBondContact O-N 2.88Å; Q212-G214 PolarHBondContact O-N 2.67Å; Q212-T215 WeakPolarHBondContact CG-OG1 3.46Å; Q212-T215 WeakPolarHBondContact O-CB 3.46Å; Q212-T215 PolarHBondContact O-N 3.39Å; Q212-T215 VanDerWaalsContact O-N 3.11Å; Q212-T215 PolarHBondContact O-OG1 2.95Å |
| 213 | S | 95.7 | Very high | 94.1 | Very high | 56 Ų | 56 | 34 Ų | 34 | 39% | 0.392 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 135 | -180 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | Y171 V174 T215 | Y171-S213 CarbonylContact O-C 3.56Å; Y171-S213 WeakPolarHBondContact O-CA 2.99Å; V174-S213 PolarHBondContact N-OG 3.29Å; S213-T215 VanDerWaalsContact C-N 3.29Å; S213-T215 PolarHBondContact O-N 3.09Å |
| 214 | G | 96.3 | Very high | 93.6 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 11% | 0.113 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 4.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N63 Q64 Y171 Q212 | N63-G214 PolarHBondContact N-O 2.83Å; N63-G214 VanDerWaalsContact N-O 3.16Å; Q64-G214 PolarHBondContact N-O 2.98Å; Y171-G214 PolarHBondContact O-N 2.6Å; Q212-G214 PolarHBondContact O-N 2.67Å |
| 215 | T | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -77.4 | 131 | 171 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | I60 R61 L62 Y171 W210 Q212 S213 V217 | I60-T215 HydrophobicContact CG2-CG2 3.63Å; R61-T215 WeakPolarHBondContact O-CA 3.47Å; L62-T215 HydrophobicContact CD2-CG2 4.11Å; L62-T215 WeakPolarHBondContact CD2-OG1 3.44Å; Y171-T215 HydrophobicContact CD2-CG2 4.06Å; Y171-T215 WeakPolarHBondContact CD2-O 3.15Å; Y171-T215 HydrophobicContact CE2-CG2 4.2Å; Y171-T215 PolarHBondContact N-O 2.68Å; W210-T215 VanDerWaalsContact O-CB 3.26Å; W210-T215 WeakPolarHBondContact O-CB 3.36Å; W210-T215 WeakPolarHBondContact O-CG2 3.43Å; W210-T215 PolarHBondContact O-OG1 3.24Å; Q212-T215 WeakPolarHBondContact CG-OG1 3.46Å; Q212-T215 WeakPolarHBondContact O-CB 3.46Å; Q212-T215 PolarHBondContact O-N 3.39Å; Q212-T215 VanDerWaalsContact O-N 3.11Å; Q212-T215 PolarHBondContact O-OG1 2.95Å; S213-T215 VanDerWaalsContact C-N 3.29Å; S213-T215 PolarHBondContact O-N 3.09Å; T215-V217 HydrophobicContact CG2-CG2 4.12Å | ||
| 216 | L | 98 | Very high | 92.4 | Very high | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.8 | 166.4 | -176.1 | 63 | 0 | 0 | 0 | 109.9 | I60 R61 Q64 A168 F169 Y170 E218 | I60-L216 WeakPolarHBondContact CA-O 3.37Å; R61-L216 PolarHBondContact N-O 3.29Å; R61-L216 PolarHBondContact O-N 2.67Å; Q64-L216 HydrophobicContact CB-CB 3.86Å; Q64-L216 HydrophobicContact CG-CB 3.69Å; Q64-L216 HydrophobicContact CG-CD2 4.45Å; A168-L216 HydrophobicContact CB-CD1 4.28Å; F169-L216 CarbonylContact O-C 3.56Å; F169-L216 WeakPolarHBondContact O-CA 3.18Å; Y170-L216 HydrophobicContact CD2-CB 4.39Å; Y170-L216 HydrophobicContact CD2-CD1 4.33Å; L216-E218 HydrophobicContact CD2-CG 4.2Å; L216-E218 HydrophobicContact CG-CG 4.05Å |
| 217 | V | 98 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.7 | 171.7 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | Q58 L59 I60 A168 F169 Y171 V206 T215 L219 | Q58-V217 HydrophobicContact CG-CG1 3.98Å; L59-V217 CarbonylContact O-C 3.53Å; L59-V217 WeakPolarHBondContact O-CA 3.44Å; I60-V217 HydrophobicContact CG1-CG1 4.31Å; I60-V217 HydrophobicContact CG1-CG2 4.17Å; I60-V217 HydrophobicContact CG2-CG2 4.21Å; A168-V217 CarbonylContact C-O 3.59Å; A168-V217 WeakPolarHBondContact CA-O 3.22Å; A168-V217 WeakPolarHBondContact CB-O 3.01Å; F169-V217 HydrophobicContact CB-CB 4.28Å; F169-V217 HydrophobicContact CD2-CB 4.45Å; F169-V217 HydrophobicContact CD2-CG1 4.5Å; F169-V217 PolarHBondContact N-O 2.96Å; F169-V217 PolarHBondContact O-N 3.32Å; Y171-V217 HydrophobicContact CE2-CG2 3.86Å; V206-V217 HydrophobicContact CG1-CG2 3.89Å; V206-V217 HydrophobicContact CG2-CB 4.42Å; V206-V217 HydrophobicContact CG2-CG1 3.95Å; V206-V217 HydrophobicContact CG2-CG2 4.05Å; T215-V217 HydrophobicContact CG2-CG2 4.12Å; V217-L219 HydrophobicContact CG1-CD2 4.08Å |
| 218 | E | 97.6 | Very high | 91.4 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.3 | 177.4 | -64.6 | 174.7 | 104.5 | 0 | 0 | 110 | Q58 L59 R61 K166 A168 L216 | Q58-E218 WeakPolarHBondContact CA-O 3.21Å; L59-E218 PolarHBondContact N-O 2.83Å; L59-E218 PolarHBondContact O-N 2.8Å; R61-E218 IonicContact CZ-OE2 2.69Å; R61-E218 IonicContact NE-OE2 2.68Å; R61-E218 IonicContact NH2-OE1 3.69Å; R61-E218 IonicContact NH2-OE2 2.84Å; R61-E218 PolarHBondContact NH2-OE2 2.79Å; K166-E218 WeakPolarHBondContact CE-OE1 3.34Å; K166-E218 IonicContact NZ-OE1 2.58Å; K166-E218 PolarHBondContact NZ-OE1 2.84Å; A168-E218 HydrophobicContact CB-CG 4.16Å; L216-E218 HydrophobicContact CD2-CG 4.2Å; L216-E218 HydrophobicContact CG-CG 4.05Å |
| 219 | L | 96.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 114.9 | 176.1 | -51 | -176 | 0 | 0 | 0 | 109 | Y56 S57 Q58 K166 I167 F169 F187 V204 V217 | Y56-L219 HydrophobicContact CD1-CB 3.97Å; S57-L219 VanDerWaalsContact O-CA 3.26Å; S57-L219 WeakPolarHBondContact O-CA 3.27Å; Q58-L219 HydrophobicContact CB-CD2 3.7Å; Q58-L219 HydrophobicContact CG-CD2 3.78Å; K166-L219 WeakPolarHBondContact CA-O 3.35Å; I167-L219 HydrophobicContact CB-CB 4.21Å; I167-L219 HydrophobicContact CB-CD1 4.43Å; I167-L219 PolarHBondContact N-O 2.86Å; I167-L219 WeakPolarHBondContact O-CA 3.47Å; I167-L219 WeakPolarHBondContact O-CB 3.27Å; I167-L219 PolarHBondContact O-N 2.82Å; F169-L219 HydrophobicContact CE2-CD1 4.36Å; F169-L219 HydrophobicContact CZ-CD1 4.47Å; F187-L219 HydrophobicContact CB-CD1 3.57Å; F187-L219 HydrophobicContact CD1-CD1 3.78Å; F187-L219 HydrophobicContact CG-CD1 3.93Å; V204-L219 HydrophobicContact CB-CD1 4.19Å; V204-L219 HydrophobicContact CB-CD2 4.46Å; V204-L219 HydrophobicContact CG1-CD1 4.26Å; V204-L219 HydrophobicContact CG1-CD2 3.7Å; V217-L219 HydrophobicContact CG1-CD2 4.08Å |
| 220 | E | 94 | Very high | 90.8 | Very high | 27 Ų | 27 | 41 Ų | 41 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140 | -179.9 | -68.3 | -179.9 | 168.2 | 0 | 0 | 109.8 | Y56 S57 K166 L222 N258 K265 | Y56-E220 CarbonylContact C-O 3.56Å; Y56-E220 VanDerWaalsContact CA-O 3.31Å; Y56-E220 WeakPolarHBondContact CA-O 3.44Å; S57-E220 PolarHBondContact N-O 3.06Å; S57-E220 PolarHBondContact O-N 2.79Å; S57-E220 VanDerWaalsContact O-N 3.07Å; S57-E220 PolarHBondContact OG-O 3.03Å; K166-E220 HydrophobicContact CD-CG 4.03Å; K166-E220 WeakPolarHBondContact CE-OE1 3.42Å; K166-E220 HydrophobicContact CG-CG 4.03Å; K166-E220 IonicContact NZ-OE1 3.74Å; K166-E220 PolarHBondContact NZ-OE1 2.87Å; E220-L222 PolarHBondContact O-N 2.91Å; E220-N258 PolarHBondContact OE1-ND2 2.82Å; E220-N258 VanDerWaalsContact OE1-ND2 3.07Å; E220-K265 IonicContact OE2-NZ 3.57Å; E220-K265 PolarHBondContact OE2-NZ 3.33Å |
| 221 | V | 91.9 | Very high | 90.5 | Very high | 59 Ų | 59 | 44.5 Ų | 44.5 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 128 | -179.6 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | Y55 Y56 G223 | Y55-V221 HydrophobicContact CD1-CG1 4.07Å; Y55-V221 HydrophobicContact CD1-CG2 4.44Å; Y55-V221 HydrophobicContact CE1-CB 4.38Å; Y55-V221 HydrophobicContact CE1-CG1 3.59Å; Y55-V221 HydrophobicContact CE1-CG2 3.97Å; Y55-V221 WeakPolarHBondContact O-CA 3Å; Y56-V221 HydrophobicContact CD1-CG2 4.35Å; Y56-V221 HydrophobicContact CE1-CG2 3.75Å; V221-G223 PolarHBondContact O-N 3.25Å |
| 222 | L | 85.8 | Confident | 90.2 | Very high | 33 Ų | 33 | 48.7 Ų | 48.7 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | trans | -68.2 | 98.6 | 167.8 | -70.2 | 173 | 0 | 0 | 0 | 107.8 | H52 N53 Y55 E220 | H52-L222 HydrophobicContact CB-CD1 4.14Å; H52-L222 HydrophobicContact CB-CD2 4.5Å; N53-L222 WeakPolarHBondContact O-CD1 3.41Å; Y55-L222 PolarHBondContact O-N 3.47Å; E220-L222 PolarHBondContact O-N 2.91Å | ||
| 223 | G | 81.8 | Confident | 90 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | trans | -64.3 | -173.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V221 C225 S226 | V221-G223 PolarHBondContact O-N 3.25Å; G223-C225 PolarHBondContact O-N 2.91Å; G223-S226 PolarHBondContact O-OG 2.87Å | ||
| 224 | D | 83.7 | Confident | 89.7 | Confident | 83 Ų | 83 | 44.8 Ų | 44.8 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -63.1 | -12.4 | -172.2 | -52.3 | -63.5 | 0 | 0 | 0 | 116.8 | S226 K227 H228 K242 | D224-S226 PolarHBondContact O-N 3.38Å; D224-K227 HydrophobicContact CB-CD 4.23Å; D224-K227 VanDerWaalsContact O-CB 3.3Å; D224-K227 WeakPolarHBondContact O-CB 3.37Å; D224-K227 PolarHBondContact O-N 2.03Å; D224-K227 WeakPolarHBondContact OD1-CE 3.42Å; D224-K227 IonicContact OD1-NZ 2.95Å; D224-K227 PolarHBondContact OD1-NZ 2.93Å; D224-H228 PolarHBondContact O-CD2 2.86Å; D224-H228 VanDerWaalsContact O-CD2 3.27Å; D224-K242 IonicContact OD2-NZ 3.94Å |
| 225 | C | 83.7 | Confident | 89.2 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -55.7 | -42.6 | -179.6 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | G223 K227 H228 K242 C244 C253 A255 | G223-C225 PolarHBondContact O-N 2.91Å; C225-K227 PolarHBondContact O-N 3.14Å; C225-H228 WeakPolarHBondContact O-CB 3.09Å; C225-H228 PolarHBondContact O-CD2 3.43Å; C225-H228 PolarHBondContact O-N 2.75Å; C225-K242 WeakPolarHBondContact SG-CE 3.34Å; C225-C244 VanDerWaalsContact CA-SG 3.6Å; C225-C244 HydrophobicContact CB-CB 3.88Å; C225-C244 WeakPolarHBondContact CB-SG 3.46Å; C225-C244 VanDerWaalsContact SG-CA 3.51Å; C225-C244 WeakPolarHBondContact SG-CB 3.23Å; C225-C244 CovalentContact SG-SG 2.03Å; C225-C244 PolarHBondContact SG-SG 2.96Å; C225-C253 CarbonylContact C-O 3.49Å; C225-C253 WeakPolarHBondContact O-CB 3.31Å; C225-C253 PolarHBondContact O-SG 3.37Å; C225-A255 HydrophobicContact CB-CB 4.36Å; C225-A255 VanDerWaalsContact SG-CA 3.56Å |
| 226 | S | 83.9 | Confident | 88.7 | Confident | 52 Ų | 52 | 55.9 Ų | 55.9 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -65.4 | -9.6 | -177.3 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | G223 D224 C253 | G223-S226 PolarHBondContact O-OG 2.87Å; D224-S226 PolarHBondContact O-N 3.38Å; S226-C253 VanDerWaalsContact CA-O 3.3Å; S226-C253 WeakPolarHBondContact CA-O 3.36Å; S226-C253 PolarHBondContact N-O 2.9Å |
| 227 | K | 82.9 | Confident | 88.1 | Confident | 139 Ų | 139 | 56.1 Ų | 56.1 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -79.9 | -19.9 | 173.9 | -60.1 | 176.2 | 177.8 | 169.2 | 0 | 112.5 | D224 C225 | D224-K227 HydrophobicContact CB-CD 4.23Å; D224-K227 VanDerWaalsContact O-CB 3.3Å; D224-K227 WeakPolarHBondContact O-CB 3.37Å; D224-K227 PolarHBondContact O-N 2.03Å; D224-K227 WeakPolarHBondContact OD1-CE 3.42Å; D224-K227 IonicContact OD1-NZ 2.95Å; D224-K227 PolarHBondContact OD1-NZ 2.93Å; C225-K227 PolarHBondContact O-N 3.14Å |
| 228 | H | 84.8 | Confident | 87.3 | Confident | 58 Ų | 58 | 62.5 Ų | 62.5 | 27% | 0.269 | 33% | 0.334 | S | S | . | . | trans | -83.3 | 122.2 | 179.5 | -60.3 | -88.7 | 0 | 0 | 0 | 109.5 | D224 C225 T233 C234 A237 C253 | D224-H228 PolarHBondContact O-CD2 2.86Å; D224-H228 VanDerWaalsContact O-CD2 3.27Å; C225-H228 WeakPolarHBondContact O-CB 3.09Å; C225-H228 PolarHBondContact O-CD2 3.43Å; C225-H228 PolarHBondContact O-N 2.75Å; H228-T233 VanDerWaalsContact CG-O 3.3Å; H228-T233 PolarHBondContact ND1-O 2.88Å; H228-C234 HydrophobicContact CB-CB 4.22Å; H228-A237 VanDerWaalsContact NE2-CB 3.35Å; H228-A237 WeakPolarHBondContact NE2-CB 3.35Å; H228-C253 HydrophobicContact CB-CB 4.13Å; H228-C253 VanDerWaalsContact O-CB 3.32Å; H228-C253 WeakPolarHBondContact O-CB 3.44Å | ||
| 229 | N | 84.9 | Confident | 86.3 | Confident | 140 Ų | 140 | 64.9 Ų | 64.9 | 75% | 0.749 | 35% | 0.35 | S | S | * | . | trans | -109 | 13.1 | -171.6 | 66.5 | -14.4 | 0 | 0 | 0 | 113.6 | W246 | N229-W246 VanDerWaalsContact C-CH2 3.49Š| ||
| 230 | S | 86 | Confident | 85.3 | Confident | 41 Ų | 41 | 71.1 Ų | 71.1 | 29% | 0.287 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -141.8 | 155.1 | 174.7 | 75.3 | 0 | 0 | 0 | 0 | 110 | N232 T233 C234 | S230-N232 PolarHBondContact O-N 2.96Å; S230-T233 PolarHBondContact N-OG1 2.83Å; S230-T233 PolarHBondContact O-N 3.13Å; S230-T233 PolarHBondContact O-OG1 3.46Å; S230-T233 WeakPolarHBondContact OG-CB 3.3Å; S230-T233 WeakPolarHBondContact OG-CG2 3.46Å; S230-T233 PolarHBondContact OG-N 2.91Å; S230-T233 PolarHBondContact OG-OG1 2.81Å; S230-C234 WeakPolarHBondContact O-CB 3.35Å; S230-C234 PolarHBondContact O-N 3.05Å |
| 231 | I | 87.9 | Confident | 84.5 | Confident | 80 Ų | 80 | 76.8 Ų | 76.8 | 41% | 0.41 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -53.1 | -53.2 | 177 | -172.6 | 169.1 | 0 | 0 | 0 | 111.6 | T233 C234 E235 W246 | I231-T233 PolarHBondContact O-N 3.43Å; I231-C234 WeakPolarHBondContact O-CB 3.35Å; I231-C234 PolarHBondContact O-N 2.76Å; I231-C234 VanDerWaalsContact O-N 3.1Å; I231-E235 HydrophobicContact CG1-CG 4.41Å; I231-E235 WeakPolarHBondContact O-CG 3.4Å; I231-E235 PolarHBondContact O-N 2.84Å; I231-W246 HydrophobicContact CB-CD2 4.24Å; I231-W246 HydrophobicContact CB-CG 4.05Å; I231-W246 HydrophobicContact CG1-CB 4.16Å; I231-W246 HydrophobicContact CG1-CG 4.05Å |
| 232 | N | 88 | Confident | 83.9 | Confident | 105 Ų | 105 | 75.8 Ų | 75.8 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.6 | -49.3 | -178.8 | -61.7 | -11 | 0 | 0 | 0 | 111.4 | S230 C234 E235 D236 | S230-N232 PolarHBondContact O-N 2.96Å; N232-C234 PolarHBondContact O-N 2.81Å; N232-E235 PolarHBondContact O-N 3.41Å; N232-D236 VanDerWaalsContact O-CB 3.27Å; N232-D236 WeakPolarHBondContact O-CB 3.48Å; N232-D236 PolarHBondContact O-N 3.42Å |
| 233 | T | 91.1 | Very high | 83.8 | Confident | 51 Ų | 51 | 76.5 Ų | 76.5 | 31% | 0.313 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.2 | -26.5 | -179 | 59 | 0 | 0 | 0 | 0 | 112.8 | H228 S230 I231 A237 | H228-T233 VanDerWaalsContact CG-O 3.3Å; H228-T233 PolarHBondContact ND1-O 2.88Å; S230-T233 PolarHBondContact N-OG1 2.83Å; S230-T233 PolarHBondContact O-N 3.13Å; S230-T233 PolarHBondContact O-OG1 3.46Å; S230-T233 WeakPolarHBondContact OG-CB 3.3Å; S230-T233 WeakPolarHBondContact OG-CG2 3.46Å; S230-T233 PolarHBondContact OG-N 2.91Å; S230-T233 PolarHBondContact OG-OG1 2.81Å; I231-T233 PolarHBondContact O-N 3.43Å; T233-A237 WeakPolarHBondContact O-CB 3.37Å; T233-A237 PolarHBondContact O-N 3.09Å |
| 234 | C | 89.2 | Confident | 84 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -73.2 | -47.9 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | H228 S230 I231 N232 A237 C244 W246 C253 | H228-C234 HydrophobicContact CB-CB 4.22Å; S230-C234 WeakPolarHBondContact O-CB 3.35Å; S230-C234 PolarHBondContact O-N 3.05Å; I231-C234 WeakPolarHBondContact O-CB 3.35Å; I231-C234 PolarHBondContact O-N 2.76Å; I231-C234 VanDerWaalsContact O-N 3.1Å; N232-C234 PolarHBondContact O-N 2.81Å; C234-A237 WeakPolarHBondContact O-CB 3.13Å; C234-A237 PolarHBondContact O-N 2.82Å; C234-C244 VanDerWaalsContact O-CB 3.26Å; C234-C244 WeakPolarHBondContact O-CB 3.43Å; C234-W246 HydrophobicContact CB-CB 4.44Å; C234-W246 HydrophobicContact CB-CE3 3.72Å; C234-W246 HydrophobicContact CB-CZ3 4.45Å; C234-C253 WeakPolarHBondContact CA-SG 3.19Å; C234-C253 HydrophobicContact CB-CB 3.58Å; C234-C253 WeakPolarHBondContact CB-SG 3.08Å; C234-C253 VanDerWaalsContact SG-CA 3.53Å; C234-C253 WeakPolarHBondContact SG-CB 3.39Å; C234-C253 CovalentContact SG-SG 2.02Å; C234-C253 PolarHBondContact SG-SG 2.98Å |
| 235 | E | 85.9 | Confident | 84.1 | Confident | 109 Ų | 109 | 72.9 Ų | 72.9 | 51% | 0.509 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 179.8 | -68.8 | 179.1 | 169.9 | 0 | 0 | 111.5 | I231 N232 A237 K238 | I231-E235 HydrophobicContact CG1-CG 4.41Å; I231-E235 WeakPolarHBondContact O-CG 3.4Å; I231-E235 PolarHBondContact O-N 2.84Å; N232-E235 PolarHBondContact O-N 3.41Å; E235-A237 PolarHBondContact O-N 3.47Å; E235-K238 PolarHBondContact O-N 2.94Å |
| 236 | D | 87.2 | Confident | 84.3 | Confident | 134 Ų | 134 | 74.9 Ų | 74.9 | 72% | 0.717 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.4 | 175.8 | -70.1 | -21.9 | 0 | 0 | 0 | 113.1 | N232 K238 | N232-D236 VanDerWaalsContact O-CB 3.27Å; N232-D236 WeakPolarHBondContact O-CB 3.48Å; N232-D236 PolarHBondContact O-N 3.42Å; D236-K238 PolarHBondContact O-N 2.89Å |
| 237 | A | 84.9 | Confident | 84.5 | Confident | 20 Ų | 20 | 72.5 Ų | 72.5 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 1.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | H228 T233 C234 E235 T239 C244 | H228-A237 VanDerWaalsContact NE2-CB 3.35Å; H228-A237 WeakPolarHBondContact NE2-CB 3.35Å; T233-A237 WeakPolarHBondContact O-CB 3.37Å; T233-A237 PolarHBondContact O-N 3.09Å; C234-A237 WeakPolarHBondContact O-CB 3.13Å; C234-A237 PolarHBondContact O-N 2.82Å; E235-A237 PolarHBondContact O-N 3.47Å; A237-T239 PolarHBondContact O-N 2.83Å; A237-C244 HydrophobicContact CB-CB 4.39Å |
| 238 | K | 80.4 | Confident | 84.5 | Confident | 134 Ų | 134 | 73.1 Ų | 73.1 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | trans | -63.4 | 126.1 | 178 | -172.6 | 170.8 | -175.6 | 175.9 | 0 | 110.9 | E235 D236 K242 T243 | E235-K238 PolarHBondContact O-N 2.94Å; D236-K238 PolarHBondContact O-N 2.89Å; K238-K242 WeakPolarHBondContact CA-O 3.23Å; K238-T243 HydrophobicContact CD-CG2 4.31Å | ||
| 239 | T | 78.4 | Confident | 84.5 | Confident | 66 Ų | 66 | 77.8 Ų | 77.8 | 41% | 0.405 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -115.8 | 165 | 170.1 | 71.3 | 0 | 0 | 0 | 0 | 109.5 | A237 D241 K242 | A237-T239 PolarHBondContact O-N 2.83Å; T239-D241 PolarHBondContact O-N 2.83Å; T239-D241 VanDerWaalsContact O-N 3.09Å; T239-K242 PolarHBondContact N-O 2.9Å; T239-K242 CarbonylContact O-C 3.49Å; T239-K242 PolarHBondContact O-N 3.45Å; T239-K242 VanDerWaalsContact O-N 3.07Å; T239-K242 WeakPolarHBondContact OG1-CB 3.37Å; T239-K242 PolarHBondContact OG1-N 3.36Å |
| 240 | P | 75.8 | Confident | 84.4 | Confident | 133 Ų | 133 | 71.6 Ų | 71.6 | 86% | 0.864 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -32.3 | 177.2 | -29 | 36.8 | 0 | 0 | 0 | 113.8 | ||
| 241 | D | 75.7 | Confident | 84.4 | Confident | 146 Ų | 146 | 75 Ų | 75 | 78% | 0.781 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 0.2 | -177.1 | -49.3 | -47.6 | 0 | 0 | 0 | 113.7 | T239 N257 | T239-D241 PolarHBondContact O-N 2.83Å; T239-D241 VanDerWaalsContact O-N 3.09Å; D241-N257 PolarHBondContact O-ND2 3.1Å |
| 242 | K | 79 | Confident | 84.3 | Confident | 37 Ų | 37 | 72 Ų | 72 | 16% | 0.161 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -154.1 | 119.5 | -171.4 | -179.3 | 174.1 | 175 | -160.8 | 0 | 112.3 | D224 C225 K238 T239 N257 | D224-K242 IonicContact OD2-NZ 3.94Å; C225-K242 WeakPolarHBondContact SG-CE 3.34Å; K238-K242 WeakPolarHBondContact CA-O 3.23Å; T239-K242 PolarHBondContact N-O 2.9Å; T239-K242 CarbonylContact O-C 3.49Å; T239-K242 PolarHBondContact O-N 3.45Å; T239-K242 VanDerWaalsContact O-N 3.07Å; T239-K242 WeakPolarHBondContact OG1-CB 3.37Å; T239-K242 PolarHBondContact OG1-N 3.36Å; K242-N257 VanDerWaalsContact CA-OD1 3.32Å; K242-N257 WeakPolarHBondContact CA-OD1 3.17Å; K242-N257 WeakPolarHBondContact CG-ND2 3.49Å; K242-N257 WeakPolarHBondContact CG-OD1 3.3Å |
| 243 | T | 84.4 | Confident | 84.3 | Confident | 49 Ų | 49 | 67 Ų | 67 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.3 | 172.6 | -58.7 | 0 | 0 | 0 | 0 | 109.2 | K238 I245 S256 N257 | K238-T243 HydrophobicContact CD-CG2 4.31Å; T243-I245 HydrophobicContact CG2-CG1 4.26Å; T243-S256 PolarHBondContact O-N 2.9Å; T243-N257 PolarHBondContact N-OD1 2.89Å; T243-N257 VanDerWaalsContact N-OD1 3.11Å; T243-N257 PolarHBondContact O-OD1 2.73Å |
| 244 | C | 86 | Confident | 84 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 5% | 0.054 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.1 | 170.5 | -63.7 | 0 | 0 | 0 | 0 | 109.2 | C225 C234 A237 T254 | C225-C244 VanDerWaalsContact CA-SG 3.6Å; C225-C244 HydrophobicContact CB-CB 3.88Å; C225-C244 WeakPolarHBondContact CB-SG 3.46Å; C225-C244 VanDerWaalsContact SG-CA 3.51Å; C225-C244 WeakPolarHBondContact SG-CB 3.23Å; C225-C244 CovalentContact SG-SG 2.03Å; C225-C244 PolarHBondContact SG-SG 2.96Å; C234-C244 VanDerWaalsContact O-CB 3.26Å; C234-C244 WeakPolarHBondContact O-CB 3.43Å; A237-C244 HydrophobicContact CB-CB 4.39Å; C244-T254 CarbonylContact C-O 3.48Å; C244-T254 WeakPolarHBondContact CA-O 3.05Å |
| 245 | I | 86.3 | Confident | 83.7 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.7 | -179.1 | -57.9 | -174.3 | 0 | 0 | 0 | 109 | T243 C253 T254 I266 C269 | T243-I245 HydrophobicContact CG2-CG1 4.26Å; I245-C253 WeakPolarHBondContact O-CA 3.49Å; I245-T254 HydrophobicContact CB-CG2 4.38Å; I245-T254 PolarHBondContact N-O 3.32Å; I245-T254 PolarHBondContact O-N 2.83Å; I245-I266 HydrophobicContact CD1-CB 4.48Å; I245-I266 HydrophobicContact CD1-CD1 4.26Å; I245-I266 HydrophobicContact CD1-CG1 3.37Å; I245-C269 HydrophobicContact CG2-CB 4.47Å |
| 246 | W | 88.1 | Confident | 83.2 | Confident | 42 Ų | 42 | 61 Ų | 61 | 16% | 0.159 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.4 | 173.4 | -171.8 | -103.8 | 0 | 0 | 0 | 111 | N229 I231 C234 D251 C253 | N229-W246 VanDerWaalsContact C-CH2 3.49Å; I231-W246 HydrophobicContact CB-CD2 4.24Å; I231-W246 HydrophobicContact CB-CG 4.05Å; I231-W246 HydrophobicContact CG1-CB 4.16Å; I231-W246 HydrophobicContact CG1-CG 4.05Å; C234-W246 HydrophobicContact CB-CB 4.44Å; C234-W246 HydrophobicContact CB-CE3 3.72Å; C234-W246 HydrophobicContact CB-CZ3 4.45Å; W246-D251 HydrophobicContact CZ2-CB 4.23Å; W246-C253 HydrophobicContact CE3-CB 3.87Å; W246-C253 HydrophobicContact CZ3-CB 4.04Å |
| 247 | C | 86.6 | Confident | 81.8 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 90.3 | 178.7 | -57.2 | 0 | 0 | 0 | 0 | 109.7 | I42 K249 S250 D251 I252 T254 C269 | I42-C247 HydrophobicContact CG2-CB 3.8Å; C247-K249 PolarHBondContact O-N 2.96Å; C247-S250 WeakPolarHBondContact CB-OG 3.27Å; C247-S250 CarbonylContact O-C 3.53Å; C247-S250 PolarHBondContact O-N 3.4Å; C247-S250 PolarHBondContact O-OG 2.73Å; C247-S250 VanDerWaalsContact O-OG 3.04Å; C247-D251 PolarHBondContact O-N 3.34Å; C247-I252 PolarHBondContact N-O 3.12Å; C247-T254 VanDerWaalsContact SG-CG2 3.53Å; C247-C269 HydrophobicContact CB-CB 3.68Å; C247-C269 WeakPolarHBondContact CB-SG 3.32Å; C247-C269 WeakPolarHBondContact SG-CB 3.37Å; C247-C269 CovalentContact SG-SG 2.03Å; C247-C269 PolarHBondContact SG-SG 3.44Å |
| 248 | E | 84.8 | Confident | 80.5 | Confident | 152 Ų | 152 | 59.8 Ų | 59.8 | 71% | 0.71 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -52.8 | -48.3 | -168.5 | -171.4 | 175.4 | -166.6 | 0 | 0 | 113.2 | S250 D251 | E248-S250 PolarHBondContact O-N 3.38Å; E248-D251 PolarHBondContact O-N 2.58Å |
| 249 | K | 83.8 | Confident | 79.4 | Confident | 156 Ų | 156 | 62.3 Ų | 62.3 | 68% | 0.678 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -57.4 | -26.7 | 179.2 | -75.3 | -169.9 | 169.6 | -176.1 | 0 | 114.5 | C247 V271 | C247-K249 PolarHBondContact O-N 2.96Å; K249-V271 HydrophobicContact CD-CB 4.08Å; K249-V271 HydrophobicContact CD-CG2 3.7Å; K249-V271 VanDerWaalsContact CE-CB 3.44Å |
| 250 | S | 82.5 | Confident | 78.4 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -111.4 | -2.2 | -175.2 | 70.7 | 0 | 0 | 0 | 0 | 112.6 | K40 C247 E248 I252 | K40-S250 WeakPolarHBondContact CE-O 3.05Å; K40-S250 PolarHBondContact NZ-O 3.23Å; C247-S250 WeakPolarHBondContact CB-OG 3.27Å; C247-S250 CarbonylContact O-C 3.53Å; C247-S250 PolarHBondContact O-N 3.4Å; C247-S250 PolarHBondContact O-OG 2.73Å; C247-S250 VanDerWaalsContact O-OG 3.04Å; E248-S250 PolarHBondContact O-N 3.38Å; S250-I252 VanDerWaalsContact C-N 3.27Å; S250-I252 PolarHBondContact O-N 3.14Å |
| 251 | D | 86.6 | Confident | 77.8 | Confident | 112 Ų | 112 | 59.5 Ų | 59.5 | 60% | 0.599 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 50.3 | -174.3 | -60.2 | -45.5 | 0 | 0 | 0 | 113.1 | K40 W246 C247 E248 | K40-D251 PolarHBondContact NZ-O 3.01Å; W246-D251 HydrophobicContact CZ2-CB 4.23Å; C247-D251 PolarHBondContact O-N 3.34Å; E248-D251 PolarHBondContact O-N 2.58Å |
| 252 | I | 86.1 | Confident | 77.1 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 9% | 0.092 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.1 | 178.6 | -79.6 | -178.6 | 0 | 0 | 0 | 109.8 | K40 I42 H52 C247 S250 | K40-I252 HydrophobicContact CB-CD1 3.86Å; K40-I252 HydrophobicContact CD-CD1 3.48Å; K40-I252 VanDerWaalsContact CD-CD1 3.48Å; K40-I252 HydrophobicContact CD-CG1 4.08Å; K40-I252 HydrophobicContact CG-CD1 3.53Å; I42-I252 HydrophobicContact CD1-CD1 4.46Å; I42-I252 HydrophobicContact CD1-CG2 4.02Å; I42-I252 HydrophobicContact CG1-CD1 4.28Å; H52-I252 HydrophobicContact CB-CD1 4.24Å; H52-I252 WeakPolarHBondContact CE1-CG2 3.4Å; H52-I252 WeakPolarHBondContact ND1-CG2 3.48Å; C247-I252 PolarHBondContact N-O 3.12Å; S250-I252 VanDerWaalsContact C-N 3.27Å; S250-I252 PolarHBondContact O-N 3.14Å |
| 253 | C | 87.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.5 | 164.2 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | C225 S226 H228 C234 I245 W246 | C225-C253 CarbonylContact C-O 3.49Å; C225-C253 WeakPolarHBondContact O-CB 3.31Å; C225-C253 PolarHBondContact O-SG 3.37Å; S226-C253 VanDerWaalsContact CA-O 3.3Å; S226-C253 WeakPolarHBondContact CA-O 3.36Å; S226-C253 PolarHBondContact N-O 2.9Å; H228-C253 HydrophobicContact CB-CB 4.13Å; H228-C253 VanDerWaalsContact O-CB 3.32Å; H228-C253 WeakPolarHBondContact O-CB 3.44Å; C234-C253 WeakPolarHBondContact CA-SG 3.19Å; C234-C253 HydrophobicContact CB-CB 3.58Å; C234-C253 WeakPolarHBondContact CB-SG 3.08Å; C234-C253 VanDerWaalsContact SG-CA 3.53Å; C234-C253 WeakPolarHBondContact SG-CB 3.39Å; C234-C253 CovalentContact SG-SG 2.02Å; C234-C253 PolarHBondContact SG-SG 2.98Å; I245-C253 WeakPolarHBondContact O-CA 3.49Å; W246-C253 HydrophobicContact CE3-CB 3.87Å; W246-C253 HydrophobicContact CZ3-CB 4.04Å |
| 254 | T | 84.4 | Confident | 75.4 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 151.9 | -179.2 | -165.3 | 0 | 0 | 0 | 0 | 111.7 | Y50 H52 C244 I245 C247 | Y50-T254 PolarHBondContact OH-OG1 2.85Å; H52-T254 PolarHBondContact NE2-OG1 2.63Å; C244-T254 CarbonylContact C-O 3.48Å; C244-T254 WeakPolarHBondContact CA-O 3.05Å; I245-T254 HydrophobicContact CB-CG2 4.38Å; I245-T254 PolarHBondContact N-O 3.32Å; I245-T254 PolarHBondContact O-N 2.83Å; C247-T254 VanDerWaalsContact SG-CG2 3.53Å |
| 255 | A | 83.5 | Confident | 74.7 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 130.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | C225 | C225-A255 HydrophobicContact CB-CB 4.36Å; C225-A255 VanDerWaalsContact SG-CA 3.56Å |
| 256 | S | 74.8 | Confident | 73.7 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 78.7 | 164.1 | -163.1 | 0 | 0 | 0 | 0 | 107 | T243 D262 | T243-S256 PolarHBondContact O-N 2.9Å; S256-D262 WeakPolarHBondContact CA-OD1 3.48Å; S256-D262 WeakPolarHBondContact CB-OD1 3.03Å; S256-D262 VanDerWaalsContact OG-CG 3.23Å; S256-D262 PolarHBondContact OG-OD1 3.34Å |
| 257 | N | 57.8 | Low | 72.7 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | trans | -129.6 | 88.1 | 177 | -71.4 | 26.7 | 0 | 0 | 0 | 107.2 | D241 K242 T243 D262 | D241-N257 PolarHBondContact O-ND2 3.1Å; K242-N257 VanDerWaalsContact CA-OD1 3.32Å; K242-N257 WeakPolarHBondContact CA-OD1 3.17Å; K242-N257 WeakPolarHBondContact CG-ND2 3.49Å; K242-N257 WeakPolarHBondContact CG-OD1 3.3Å; T243-N257 PolarHBondContact N-OD1 2.89Å; T243-N257 VanDerWaalsContact N-OD1 3.11Å; T243-N257 PolarHBondContact O-OD1 2.73Å; N257-D262 PolarHBondContact N-OD1 3.5Å; N257-D262 VanDerWaalsContact N-OD1 3.13Å | ||
| 258 | N | 58 | Low | 71.9 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | trans | 172.1 | 125.4 | 150.3 | -88.3 | -22.7 | 0 | 0 | 0 | 108 | E220 D260 N261 D262 | E220-N258 PolarHBondContact OE1-ND2 2.82Å; E220-N258 VanDerWaalsContact OE1-ND2 3.07Å; N258-D260 PolarHBondContact O-N 3.47Å; N258-N261 HydrophobicContact CB-CB 4.48Å; N258-N261 PolarHBondContact O-N 3.49Å; N258-D262 PolarHBondContact N-OD1 3.28Å; N258-D262 VanDerWaalsContact N-OD1 3.12Å; N258-D262 PolarHBondContact N-OD2 3.43Å; N258-D262 PolarHBondContact O-N 2.94Å; N258-D262 VanDerWaalsContact O-OD2 3.06Å | ||
| 259 | E | 58.1 | Low | 71.5 | Confident | 187 Ų | 187 | 57.2 Ų | 57.2 | 87% | 0.874 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -32.2 | 179.6 | -68 | -178.1 | 169.2 | 0 | 0 | 112.9 | ||
| 260 | D | 57.4 | Low | 70.7 | Confident | 136 Ų | 136 | 55.9 Ų | 55.9 | 73% | 0.727 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -20.8 | -177.8 | -60.9 | -33.6 | 0 | 0 | 0 | 115.2 | N258 | N258-D260 PolarHBondContact O-N 3.47Š|
| 261 | N | 61.7 | Low | 69.3 | Low | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -7.1 | -172 | -78.5 | -19.7 | 0 | 0 | 0 | 113.7 | L59 R61 N258 F264 K265 | L59-N261 HydrophobicContact CD2-CB 4.49Å; L59-N261 WeakPolarHBondContact CD2-ND2 3.5Å; R61-N261 PolarHBondContact NH1-OD1 3.43Å; N258-N261 HydrophobicContact CB-CB 4.48Å; N258-N261 PolarHBondContact O-N 3.49Å; N261-F264 PolarHBondContact O-N 2.9Å; N261-K265 PolarHBondContact O-N 3.33Å; N261-K265 VanDerWaalsContact O-N 3.1Å |
| 262 | D | 61.9 | Low | 67 | Low | 33 Ų | 33 | 61.6 Ų | 61.6 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.2 | -47 | -175.2 | -76.8 | -27.3 | 0 | 0 | 0 | 111.5 | S256 N257 N258 F264 K265 I266 | S256-D262 WeakPolarHBondContact CA-OD1 3.48Å; S256-D262 WeakPolarHBondContact CB-OD1 3.03Å; S256-D262 VanDerWaalsContact OG-CG 3.23Å; S256-D262 PolarHBondContact OG-OD1 3.34Å; N257-D262 PolarHBondContact N-OD1 3.5Å; N257-D262 VanDerWaalsContact N-OD1 3.13Å; N258-D262 PolarHBondContact N-OD1 3.28Å; N258-D262 VanDerWaalsContact N-OD1 3.12Å; N258-D262 PolarHBondContact N-OD2 3.43Å; N258-D262 PolarHBondContact O-N 2.94Å; N258-D262 VanDerWaalsContact O-OD2 3.06Å; D262-F264 VanDerWaalsContact C-N 3.29Å; D262-F264 PolarHBondContact O-N 3.3Å; D262-K265 PolarHBondContact O-N 3.48Å; D262-K265 VanDerWaalsContact O-N 3.16Å; D262-I266 HydrophobicContact CB-CD1 4.29Å; D262-I266 WeakPolarHBondContact O-CB 3.45Å; D262-I266 WeakPolarHBondContact O-CD1 3.1Å; D262-I266 WeakPolarHBondContact O-CG1 3.49Å; D262-I266 PolarHBondContact O-N 2.9Å |
| 263 | D | 60.1 | Low | 64.3 | Low | 112 Ų | 112 | 66.7 Ų | 66.7 | 60% | 0.599 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.3 | -39.7 | 178.7 | -70.6 | -9.3 | 0 | 0 | 0 | 112.3 | N267 | D263-N267 WeakPolarHBondContact O-CB 3.44Å; D263-N267 PolarHBondContact O-N 3.11Å; D263-N267 PolarHBondContact O-ND2 2.68Å; D263-N267 VanDerWaalsContact O-ND2 3.15Å |
| 264 | F | 66.9 | Low | 61.5 | Low | 94 Ų | 94 | 72 Ų | 72 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 178.3 | -71.2 | -76.6 | 0 | 0 | 0 | 112.3 | N261 D262 G268 | N261-F264 PolarHBondContact O-N 2.9Å; D262-F264 VanDerWaalsContact C-N 3.29Å; D262-F264 PolarHBondContact O-N 3.3Å; F264-G268 PolarHBondContact O-N 3Å |
| 265 | K | 71 | Confident | 58.9 | Low | 7 Ų | 7 | 76.4 Ų | 76.4 | 3% | 0.03 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.8 | -41.4 | 178.8 | -71.5 | 175.6 | -177.6 | 171.6 | 0 | 110.9 | Y50 E220 N261 D262 C269 | Y50-K265 HydrophobicContact CE1-CG 4.49Å; E220-K265 IonicContact OE2-NZ 3.57Å; E220-K265 PolarHBondContact OE2-NZ 3.33Å; N261-K265 PolarHBondContact O-N 3.33Å; N261-K265 VanDerWaalsContact O-N 3.1Å; D262-K265 PolarHBondContact O-N 3.48Å; D262-K265 VanDerWaalsContact O-N 3.16Å; K265-C269 WeakPolarHBondContact O-CB 3.28Å; K265-C269 PolarHBondContact O-N 2.98Å; K265-C269 VanDerWaalsContact O-N 3.14Å; K265-C269 PolarHBondContact O-SG 2.84Å; K265-C269 VanDerWaalsContact O-SG 3.32Å |
| 266 | I | 66.6 | Low | 56.2 | Low | 43 Ų | 43 | 82.3 Ų | 82.3 | 22% | 0.221 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.6 | -56.5 | 176 | -68.4 | 162.7 | 0 | 0 | 0 | 109.7 | I245 D262 G268 C269 Q270 | I245-I266 HydrophobicContact CD1-CB 4.48Å; I245-I266 HydrophobicContact CD1-CD1 4.26Å; I245-I266 HydrophobicContact CD1-CG1 3.37Å; D262-I266 HydrophobicContact CB-CD1 4.29Å; D262-I266 WeakPolarHBondContact O-CB 3.45Å; D262-I266 WeakPolarHBondContact O-CD1 3.1Å; D262-I266 WeakPolarHBondContact O-CG1 3.49Å; D262-I266 PolarHBondContact O-N 2.9Å; I266-G268 VanDerWaalsContact C-N 3.3Å; I266-G268 PolarHBondContact O-N 3.43Å; I266-C269 PolarHBondContact O-N 3.45Å; I266-C269 VanDerWaalsContact O-N 3.13Å; I266-Q270 HydrophobicContact CG2-CG 4.38Å; I266-Q270 WeakPolarHBondContact O-CB 3.3Å; I266-Q270 WeakPolarHBondContact O-CG 3.17Å; I266-Q270 PolarHBondContact O-N 3.21Å |
| 267 | N | 67.4 | Low | 54.3 | Low | 105 Ų | 105 | 87.5 Ų | 87.5 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.7 | -35.8 | -177.8 | -67.4 | -19.6 | 0 | 0 | 0 | 112.2 | D263 C269 Q270 | D263-N267 WeakPolarHBondContact O-CB 3.44Å; D263-N267 PolarHBondContact O-N 3.11Å; D263-N267 PolarHBondContact O-ND2 2.68Å; D263-N267 VanDerWaalsContact O-ND2 3.15Å; N267-C269 VanDerWaalsContact C-N 3.3Å; N267-C269 PolarHBondContact O-N 3.23Å; N267-Q270 CarbonylContact O-C 3.54Å |
| 268 | G | 69.9 | Low | 53 | Low | 10 Ų | 10 | 92.1 Ų | 92.1 | 10% | 0.103 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -67.7 | -29.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | F264 I266 | F264-G268 PolarHBondContact O-N 3Å; I266-G268 VanDerWaalsContact C-N 3.3Å; I266-G268 PolarHBondContact O-N 3.43Å |
| 269 | C | 75.9 | Confident | 51.9 | Low | 12 Ų | 12 | 94.8 Ų | 94.8 | 8% | 0.081 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -89.5 | -29.8 | 177.7 | -67.9 | 0 | 0 | 0 | 0 | 112.9 | I245 C247 K265 I266 N267 V271 | I245-C269 HydrophobicContact CG2-CB 4.47Å; C247-C269 HydrophobicContact CB-CB 3.68Å; C247-C269 WeakPolarHBondContact CB-SG 3.32Å; C247-C269 WeakPolarHBondContact SG-CB 3.37Å; C247-C269 CovalentContact SG-SG 2.03Å; C247-C269 PolarHBondContact SG-SG 3.44Å; K265-C269 WeakPolarHBondContact O-CB 3.28Å; K265-C269 PolarHBondContact O-N 2.98Å; K265-C269 VanDerWaalsContact O-N 3.14Å; K265-C269 PolarHBondContact O-SG 2.84Å; K265-C269 VanDerWaalsContact O-SG 3.32Å; I266-C269 PolarHBondContact O-N 3.45Å; I266-C269 VanDerWaalsContact O-N 3.13Å; N267-C269 VanDerWaalsContact C-N 3.3Å; N267-C269 PolarHBondContact O-N 3.23Å; C269-V271 PolarHBondContact O-N 3.17Å |
| 270 | Q | 67 | Low | 50.5 | Low | 128 Ų | 128 | 96 Ų | 96 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | trans | -89.8 | 75.6 | 175.2 | -64.3 | -178 | 3 | 0 | 0 | 110.5 | I266 N267 E272 | I266-Q270 HydrophobicContact CG2-CG 4.38Å; I266-Q270 WeakPolarHBondContact O-CB 3.3Å; I266-Q270 WeakPolarHBondContact O-CG 3.17Å; I266-Q270 PolarHBondContact O-N 3.21Å; N267-Q270 CarbonylContact O-C 3.54Å; Q270-E272 PolarHBondContact O-N 3.48Å | ||
| 271 | V | 53.3 | Low | 49.5 | Very low | 75 Ų | 75 | 94.3 Ų | 94.3 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | trans | -77.8 | 108.8 | 171 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | K249 C269 T273 | K249-V271 HydrophobicContact CD-CB 4.08Å; K249-V271 HydrophobicContact CD-CG2 3.7Å; K249-V271 VanDerWaalsContact CE-CB 3.44Å; C269-V271 PolarHBondContact O-N 3.17Å; V271-T273 PolarHBondContact O-N 2.92Å; V271-T273 VanDerWaalsContact O-N 3.12Å | ||
| 272 | E | 38.9 | Very low | 48.1 | Very low | 168 Ų | 168 | 103.9 Ų | 103.9 | 79% | 0.785 | 56% | 0.562 | S | S | * | * | trans | -4.6 | 93.9 | 168.9 | -66 | 180 | 168.5 | 0 | 0 | 115 | Q270 V274 | Q270-E272 PolarHBondContact O-N 3.48Å; E272-V274 VanDerWaalsContact C-N 3.3Å; E272-V274 PolarHBondContact O-N 3.27Å | ||
| 273 | T | 28 | Very low | 46.7 | Very low | 125 Ų | 125 | 105.5 Ų | 105.5 | 77% | 0.767 | 59% | 0.587 | S | S | * | * | trans | -61.8 | 103.5 | 143.8 | 25.8 | 0 | 0 | 0 | 0 | 106.5 | V271 S275 | V271-T273 PolarHBondContact O-N 2.92Å; V271-T273 VanDerWaalsContact O-N 3.12Å; T273-S275 PolarHBondContact O-N 3.46Å; T273-S275 PolarHBondContact O-OG 3.14Å; T273-S275 VanDerWaalsContact O-OG 3.13Å | ||
| 274 | V | 29 | Very low | 45.3 | Very low | 113 Ų | 113 | 106.5 Ų | 106.5 | 69% | 0.685 | 60% | 0.597 | S | S | * | * | trans | -50.6 | 97.1 | 163.1 | 179 | 0 | 0 | 0 | 0 | 106.4 | E272 N276 | E272-V274 VanDerWaalsContact C-N 3.3Å; E272-V274 PolarHBondContact O-N 3.27Å; V274-N276 PolarHBondContact O-N 3.23Å | ||
| 275 | S | 30.6 | Very low | 43.6 | Very low | 93 Ų | 93 | 110 Ų | 110 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | trans | -77.1 | 87 | 176.7 | -58.7 | 0 | 0 | 0 | 0 | 105 | T273 V277 | T273-S275 PolarHBondContact O-N 3.46Å; T273-S275 PolarHBondContact O-OG 3.14Å; T273-S275 VanDerWaalsContact O-OG 3.13Å; S275-V277 PolarHBondContact O-N 3.09Å | ||
| 276 | N | 26.9 | Very low | 41.8 | Very low | 147 Ų | 147 | 115.8 Ų | 115.8 | 79% | 0.786 | 65% | 0.645 | S | S | * | * | trans | -63.4 | 73.5 | 158.8 | -81.6 | -14.7 | 0 | 0 | 0 | 107.7 | V274 N278 | V274-N276 PolarHBondContact O-N 3.23Å; N276-N278 PolarHBondContact O-N 3.45Å | ||
| 277 | V | 33 | Very low | 40.2 | Very low | 117 Ų | 117 | 119.9 Ų | 119.9 | 71% | 0.709 | 67% | 0.667 | S | S | * | * | trans | -81.8 | 98.5 | 164.9 | 179.4 | 0 | 0 | 0 | 0 | 105.5 | S275 V279 | S275-V277 PolarHBondContact O-N 3.09Å; V277-V279 PolarHBondContact O-N 2.9Å | ||
| 278 | N | 31.3 | Very low | 38.6 | Very low | 153 Ų | 153 | 122.2 Ų | 122.2 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -41.8 | 106.3 | 164.9 | -95.8 | -7.2 | 0 | 0 | 0 | 110 | N276 K280 | N276-N278 PolarHBondContact O-N 3.45Å; N278-K280 PolarHBondContact O-N 3.33Å; N278-K280 VanDerWaalsContact O-N 3.11Å | ||
| 279 | V | 34.8 | Very low | 36.8 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 79% | 0.788 | 71% | 0.705 | S | S | * | * | trans | -71.2 | 103.2 | 161 | 178.7 | 0 | 0 | 0 | 0 | 106.4 | V277 S281 | V277-V279 PolarHBondContact O-N 2.9Å; V279-S281 PolarHBondContact O-N 3.22Å | ||
| 280 | K | 29.4 | Very low | 34.8 | Very low | 211 Ų | 211 | 136.3 Ų | 136.3 | 92% | 0.917 | 73% | 0.728 | S | S | * | * | trans | -76.5 | 102.8 | 172.7 | -155 | -179.1 | -170.5 | -176.2 | 0 | 107.3 | N278 | N278-K280 PolarHBondContact O-N 3.33Å; N278-K280 VanDerWaalsContact O-N 3.11Å | ||
| 281 | S | 35.5 | Very low | 33.2 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | -146.2 | 125.4 | 160 | 62 | 0 | 0 | 0 | 0 | 110.2 | V279 | V279-S281 PolarHBondContact O-N 3.22Š| ||
| 282 | E | 32 | Very low | 32.1 | Very low | 204 Ų | 204 | 138.2 Ų | 138.2 | 95% | 0.953 | 74% | 0.742 | S | S | * | * | trans | -52.1 | 147.8 | -179.5 | -69.6 | 162 | 129 | 0 | 0 | 113.9 | ||||
| 283 | G | 33.2 | Very low | 31.6 | Very low | 68 Ų | 68 | 136.5 Ų | 136.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | 163.9 | 75.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 284 | T | 30.4 | Very low | 31.6 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | trans | 55.5 | 98.5 | 137.6 | -45.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 285 | Q | 31.8 | Very low | 31.8 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | 51.5 | 117.1 | 118.5 | -109.9 | -163.6 | 67.6 | 0 | 0 | 120.2 | |||||
| 286 | I | 33.1 | Very low | 32 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | 159.5 | 120.7 | 110.5 | -83.8 | 153.9 | 0 | 0 | 0 | 112.6 | |||||
| 287 | N | 33.4 | Very low | 32.4 | Very low | 129 Ų | 129 | 140 Ų | 140 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | trans | 54.8 | 145.8 | 146.4 | -61.7 | -7.7 | 0 | 0 | 0 | 120.5 | ||||
| 288 | Q | 33.9 | Very low | 32.7 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | cis | -175.8 | 139.9 | -9.3 | -114.5 | 171.4 | -28.9 | 0 | 0 | 104.4 | ||||
| 289 | R | 32.2 | Very low | 32.6 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | 40.3 | 138 | 126.1 | -103.3 | -169.4 | 154 | 157.6 | -8.4 | 118.6 | |||||
| 290 | E | 33.6 | Very low | 32.5 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 56% | 0.561 | 77% | 0.765 | S | S | * | * | cis | 175.5 | 166.8 | 13.7 | -145.8 | 172.2 | -155.7 | 0 | 0 | 105.6 | ||||
| 291 | I | 33.3 | Very low | 32.6 | Very low | 141 Ų | 141 | 137 Ų | 137 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | 80.9 | 143.2 | 151.8 | -58.3 | 154 | 0 | 0 | 0 | 117.5 | ||||
| 292 | T | 29.1 | Very low | 32.6 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | cis | 179.5 | 139.8 | -22.6 | -73.2 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 293 | T | 28.3 | Very low | 32.8 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | 50.3 | 126.2 | 156.2 | 59.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 294 | G | 28.2 | Very low | 32.7 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | 98.8 | 122.2 | 118.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 295 | I | 34.1 | Very low | 32.8 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 91% | 0.908 | 76% | 0.759 | S | S | * | * | 162.9 | 145.1 | 126.3 | -79 | 156.5 | 0 | 0 | 0 | 109.9 | |||||
| 296 | T | 33.9 | Very low | 32.8 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -81.2 | 163 | -168.7 | -25.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 297 | E | 35.9 | Very low | 32.9 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 91.1 | 142.3 | 151.3 | -92.6 | -170.6 | 139.6 | 0 | 0 | 122.4 | ||||
| 298 | P | 38.8 | Very low | 32.8 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -105.8 | -172.5 | -162.4 | 44 | -35.7 | 0 | 0 | 0 | 114.8 | ||||
| 299 | D | 29.8 | Very low | 32.7 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | 85.6 | 96.8 | 174.4 | -90.2 | -12.5 | 0 | 0 | 0 | 117.6 | ||||
| 300 | L | 33.4 | Very low | 32.8 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -154 | 140.1 | 132.6 | -145.6 | 72.9 | 0 | 0 | 0 | 112.8 | ||||
| 301 | T | 30.7 | Very low | 32.6 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | trans | -73.3 | 159.4 | -171.3 | -27.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 302 | N | 35.6 | Very low | 32.4 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | 73.9 | 111.9 | 157.3 | -68.2 | -18.7 | 0 | 0 | 0 | 119.5 | ||||
| 303 | E | 35.6 | Very low | 32.4 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 177.2 | 102.5 | 134.6 | -97.1 | -87.6 | 144.1 | 0 | 0 | 108.4 | ||||
| 304 | L | 31.1 | Very low | 32.4 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | 179.1 | 108.2 | 128.8 | -117.2 | 76.8 | 0 | 0 | 0 | 109.7 | |||||
| 305 | T | 33.1 | Very low | 32.5 | Very low | 133 Ų | 133 | 151.1 Ų | 151.1 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -106.5 | 154.5 | 168 | 15.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 306 | K | 32.9 | Very low | 32 | Very low | 198 Ų | 198 | 147.9 Ų | 147.9 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | 82.9 | 99.5 | 161.6 | -71.4 | 179.6 | 170.9 | -179.5 | 0 | 119.4 | ||||
| 307 | I | 33.6 | Very low | 31.7 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | -149.7 | 92.2 | 126.9 | -59.1 | -170.4 | 0 | 0 | 0 | 106.2 | |||||
| 308 | T | 32.7 | Very low | 31.3 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | 98.1 | 125.9 | 97.2 | -47.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 309 | E | 31.8 | Very low | 30.8 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -79.5 | 178 | -173.2 | -64.2 | 164.2 | 138.4 | 0 | 0 | 114.9 | ||||
| 310 | S | 33.8 | Very low | 30.8 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | 93.3 | 126.8 | 170.5 | 84.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 311 | T | 29.4 | Very low | 30.5 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | cis | -159 | 125.4 | 27 | -48 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 312 | E | 28.5 | Very low | 30.5 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -92.3 | 155.5 | 157.5 | -109.7 | -176.6 | 167.4 | 0 | 0 | 108.7 | ||||
| 313 | S | 29 | Very low | 30 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | trans | 100.4 | 136.5 | 158.2 | 75.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 314 | H | 29.5 | Very low | 29.9 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 83.6 | 125.6 | 166.9 | -42.4 | -68.4 | 0 | 0 | 0 | 114.7 | ||||
| 315 | L | 28.9 | Very low | 29.6 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | cis | -153.8 | 151.3 | 37.3 | -97.1 | 97.5 | 0 | 0 | 0 | 111.1 | ||||
| 316 | S | 24.4 | Very low | 29.7 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -111.9 | 151.4 | 165.1 | -165.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 317 | S | 27.2 | Very low | 29.5 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 73.4 | 145.6 | 171.9 | 89.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 318 | S | 27.8 | Very low | 29 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | cis | -176.7 | 140 | 20.4 | 79.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 319 | I | 28 | Very low | 29 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 76.7 | 134.2 | 135.6 | -44.3 | 159 | 0 | 0 | 0 | 120.9 | ||||
| 320 | V | 30.9 | Very low | 28.8 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 115.4 | 118.9 | 138.7 | -157.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 321 | D | 26.5 | Very low | 28.7 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -47 | 149.6 | 166 | -61.5 | -66.4 | 0 | 0 | 0 | 116.9 | ||||
| 322 | A | 30.4 | Very low | 28.5 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -169 | 118.2 | 130.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 323 | S | 24.6 | Very low | 28.6 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -65.7 | 132.2 | 167.2 | 164.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 324 | I | 33.3 | Very low | 28.5 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | -153 | 118.9 | 144.2 | -54.5 | -173.9 | 0 | 0 | 0 | 109.4 | ||||
| 325 | E | 26.6 | Very low | 28.6 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -107.8 | 179.1 | 162.5 | -141.2 | -155.1 | 149.4 | 0 | 0 | 107.9 | ||||
| 326 | P | 34.6 | Very low | 28.7 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | -119.4 | 173.1 | -58.8 | 22.8 | -3.4 | 0 | 0 | 0 | 111.6 | |||||
| 327 | T | 28.5 | Very low | 28.9 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | trans | -149.3 | 124.7 | 149.5 | -36.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 328 | L | 23.9 | Very low | 29.1 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -55.3 | 141.6 | 173.7 | -167.5 | 81.5 | 0 | 0 | 0 | 113.6 | ||||
| 329 | T | 30.7 | Very low | 29.6 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | trans | -129.7 | 116.4 | 157 | -13.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 330 | N | 28.9 | Very low | 29.9 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -64.6 | 136.9 | 174.4 | -76.8 | -53.6 | 0 | 0 | 0 | 111.5 | ||||
| 331 | H | 31.2 | Very low | 30.2 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 90% | 0.903 | 77% | 0.774 | S | S | * | * | trans | -133.3 | 105.9 | 142.5 | -110.4 | -55 | 0 | 0 | 0 | 110.7 | ||||
| 332 | R | 25.8 | Very low | 30.5 | Very low | 205 Ų | 205 | 135.6 Ų | 135.6 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | -84.8 | 121.8 | 171.8 | 176.2 | -178.9 | -172.2 | 163 | 6 | 108.1 | T334 | R332-T334 WeakPolarHBondContact CG-OG1 3.39Å; R332-T334 PolarHBondContact NE-OG1 2.85Å | ||
| 333 | V | 30.4 | Very low | 30.5 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -108.8 | 115 | 154.4 | 178.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 334 | T | 27.3 | Very low | 30.8 | Very low | 88 Ų | 88 | 139.8 Ų | 139.8 | 54% | 0.54 | 77% | 0.774 | S | S | . | * | trans | -105 | 122 | 173 | -63.5 | 0 | 0 | 0 | 0 | 106.9 | R332 | R332-T334 WeakPolarHBondContact CG-OG1 3.39Å; R332-T334 PolarHBondContact NE-OG1 2.85Å | ||
| 335 | T | 31 | Very low | 31.1 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | -131.2 | 94.4 | 159 | -52.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 336 | T | 31.8 | Very low | 31.6 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | trans | 19.7 | 120.1 | 140.7 | 46.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 337 | G | 28.6 | Very low | 31.4 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -67.5 | 153.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 338 | I | 31.3 | Very low | 31.9 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -129.7 | 134.2 | 156.8 | -61.1 | 178.9 | 0 | 0 | 0 | 106.4 | ||||
| 339 | T | 37 | Very low | 32.6 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -72.7 | 152.2 | -173.4 | -33.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 340 | E | 34.5 | Very low | 32.7 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -23.5 | 173.4 | 153.2 | -97.6 | -171.4 | 122.5 | 0 | 0 | 117.4 | ||||
| 341 | P | 37.3 | Very low | 33 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | cis | -138.5 | 146.5 | -40.5 | 34 | -16.1 | 0 | 0 | 0 | 111.6 | ||||
| 342 | D | 32 | Very low | 33.4 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -166.4 | 98.9 | 154.8 | -127.1 | -19.7 | 0 | 0 | 0 | 111.9 | ||||
| 343 | L | 31.5 | Very low | 33.8 | Very low | 181 Ų | 181 | 135 Ų | 135 | 95% | 0.948 | 76% | 0.755 | S | S | * | * | trans | -138.2 | 56.7 | 165.2 | -108.7 | 136 | 0 | 0 | 0 | 107.8 | ||||
| 344 | T | 31.4 | Very low | 34.1 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | -134.1 | 58.4 | 173.7 | -26.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 345 | H | 39.5 | Very low | 34.6 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -142.3 | -7.1 | 173.6 | -159.7 | -88.7 | 0 | 0 | 0 | 116.4 | ||
| 346 | E | 36.4 | Very low | 35 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -102.6 | 4.1 | -177.5 | -111.4 | -172.5 | 147.6 | 0 | 0 | 115.9 | ||
| 347 | L | 31.4 | Very low | 35.2 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -100.4 | 9.2 | 179.1 | -130.9 | 82.6 | 0 | 0 | 0 | 114.9 | ||
| 348 | T | 38 | Very low | 35.8 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 64% | 0.638 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -110.6 | -4.3 | -172 | 18.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 349 | E | 38 | Very low | 36.1 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -92.2 | -10.6 | 177.8 | -90.1 | -171 | 148.5 | 0 | 0 | 115.3 | T351 | E349-T351 VanDerWaalsContact C-N 3.26Å; E349-T351 PolarHBondContact O-N 2.74Å |
| 350 | T | 32.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -3.8 | 179.9 | -38.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 351 | T | 36.2 | Very low | 36.2 | Very low | 99 Ų | 99 | 142 Ų | 142 | 61% | 0.607 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -7.3 | -168.3 | -25.9 | 0 | 0 | 0 | 0 | 114.6 | E349 | E349-T351 VanDerWaalsContact C-N 3.26Å; E349-T351 PolarHBondContact O-N 2.74Å |
| 352 | Q | 38.9 | Very low | 36.2 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -99.9 | -19.6 | -179.7 | -93.5 | -178.3 | -13.9 | 0 | 0 | 115.1 | T354 | Q352-T354 VanDerWaalsContact C-N 3.3Å; Q352-T354 PolarHBondContact O-N 2.91Å |
| 353 | T | 33.9 | Very low | 36.6 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 64% | 0.644 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -15.9 | -179.4 | -32.6 | 0 | 0 | 0 | 0 | 113 | ||
| 354 | T | 36.9 | Very low | 37.1 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -12 | -176.7 | -41 | 0 | 0 | 0 | 0 | 113.6 | Q352 | Q352-T354 VanDerWaalsContact C-N 3.3Å; Q352-T354 PolarHBondContact O-N 2.91Å |
| 355 | K | 38.3 | Very low | 37.8 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -90.7 | -14.3 | -178.2 | -88.6 | -179.9 | 176.9 | 174.3 | 0 | 115.3 | ||
| 356 | S | 38.9 | Very low | 38.2 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -10.7 | 179.9 | 70.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 357 | H | 37.4 | Very low | 38.8 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -2 | -177 | -97.7 | -80.4 | 0 | 0 | 0 | 115.5 | ||
| 358 | L | 40.4 | Very low | 39.5 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -94.8 | -4.7 | -170 | -127.2 | 89.9 | 0 | 0 | 0 | 116.3 | K360 | L358-K360 PolarHBondContact O-N 3.4Š|
| 359 | N | 37.3 | Very low | 40 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 87% | 0.872 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 23.6 | -172.8 | -87 | -1.2 | 0 | 0 | 0 | 115.8 | ||
| 360 | K | 38 | Very low | 40.5 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 85% | 0.852 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | 14.9 | -176.3 | -154.3 | 171.4 | 177.6 | 172.9 | 0 | 116.2 | L358 | L358-K360 PolarHBondContact O-N 3.4Š|
| 361 | T | 36.1 | Very low | 41.2 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 61% | 0.607 | 71% | 0.709 | S | S | * | * | trans | -135.1 | 72.8 | -171 | -40.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 362 | T | 37.3 | Very low | 41.8 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 86% | 0.859 | 70% | 0.703 | S | S | * | * | trans | -117.6 | 20 | 176.6 | 0.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 363 | G | 39.5 | Very low | 42.4 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -126.5 | 14.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 364 | T | 43.1 | Very low | 43.5 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 59% | 0.589 | 68% | 0.684 | S | S | * | * | trans | -139.7 | 26.7 | -167.7 | -11.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 365 | T | 46.1 | Very low | 44.6 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 58% | 0.583 | 68% | 0.677 | S | S | * | * | trans | -85 | -27.3 | -166.9 | -33.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 366 | E | 47.1 | Very low | 45.6 | Very low | 180 Ų | 180 | 125.3 Ų | 125.3 | 84% | 0.841 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -77.7 | -29.2 | -172.7 | -133.7 | 173.5 | 179.8 | 0 | 0 | 114.3 | ||
| 367 | N | 48.3 | Very low | 47 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 69% | 0.69 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -87.3 | -10.6 | 178.3 | -83.5 | -38.8 | 0 | 0 | 0 | 114.2 | ||
| 368 | R | 46.1 | Very low | 48.7 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 61% | 0.608 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -84.1 | -37.7 | -176.3 | -169.3 | 172.6 | 179.2 | 149.5 | -1 | 111.9 | E370 R371 E372 | R368-E370 PolarHBondContact O-N 3.12Å; R368-R371 PolarHBondContact O-N 3.02Å; R368-E372 HydrophobicContact CG-CG 4.44Å; R368-E372 IonicContact CZ-OE1 2.67Å; R368-E372 IonicContact NE-OE1 3.76Å; R368-E372 PolarHBondContact NE-OE1 3.45Å; R368-E372 IonicContact NH2-OE1 3.91Å; R368-E372 WeakPolarHBondContact O-CG 3.36Å; R368-E372 PolarHBondContact O-N 3.35Å |
| 369 | E | 50.1 | Low | 50.3 | Low | 142 Ų | 142 | 125.5 Ų | 125.5 | 66% | 0.664 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.4 | -38.1 | 178.6 | -70.3 | -175.3 | 163.6 | 0 | 0 | 112.5 | R371 E372 S373 | E369-R371 PolarHBondContact O-N 3.22Å; E369-E372 PolarHBondContact O-N 2.88Å; E369-S373 WeakPolarHBondContact O-CB 3.36Å; E369-S373 PolarHBondContact O-N 3.47Å |
| 370 | E | 47 | Very low | 52.1 | Low | 110 Ų | 110 | 121.7 Ų | 121.7 | 51% | 0.514 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.2 | -32.5 | 178.6 | -152.5 | -164 | 143.7 | 0 | 0 | 112.6 | R368 K374 | R368-E370 PolarHBondContact O-N 3.12Å; E370-K374 PolarHBondContact O-N 2.88Å; E370-K374 IonicContact OE1-NZ 2.74Å; E370-K374 PolarHBondContact OE1-NZ 2.91Å |
| 371 | R | 47.7 | Very low | 54 | Low | 209 Ų | 209 | 116.7 Ų | 116.7 | 79% | 0.789 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.1 | -39.9 | 174.6 | -104.3 | -175.6 | -166.9 | 168.7 | 6.4 | 112.5 | R368 E369 S375 | R368-R371 PolarHBondContact O-N 3.02Å; E369-R371 PolarHBondContact O-N 3.22Å; R371-S375 WeakPolarHBondContact O-CB 3.5Å; R371-S375 PolarHBondContact O-N 2.94Å |
| 372 | E | 49.6 | Very low | 56.2 | Low | 103 Ų | 103 | 114 Ų | 114 | 48% | 0.481 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.7 | -35.1 | 178.3 | -72 | -176.8 | -173 | 0 | 0 | 111.6 | R368 E369 S375 S376 | R368-E372 HydrophobicContact CG-CG 4.44Å; R368-E372 IonicContact CZ-OE1 2.67Å; R368-E372 IonicContact NE-OE1 3.76Å; R368-E372 PolarHBondContact NE-OE1 3.45Å; R368-E372 IonicContact NH2-OE1 3.91Å; R368-E372 WeakPolarHBondContact O-CG 3.36Å; R368-E372 PolarHBondContact O-N 3.35Å; E369-E372 PolarHBondContact O-N 2.88Å; E372-S375 PolarHBondContact O-N 3.37Å; E372-S376 PolarHBondContact O-N 3.45Å; E372-S376 VanDerWaalsContact O-N 3.07Å; E372-S376 PolarHBondContact O-OG 3.31Å |
| 373 | S | 52.1 | Low | 58.2 | Low | 76 Ų | 76 | 112 Ų | 112 | 53% | 0.531 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.4 | -50.5 | 171.7 | 169.2 | 0 | 0 | 0 | 0 | 112.6 | E369 S375 S376 L377 | E369-S373 WeakPolarHBondContact O-CB 3.36Å; E369-S373 PolarHBondContact O-N 3.47Å; S373-S375 PolarHBondContact O-N 3.36Å; S373-S376 PolarHBondContact O-N 2.91Å; S373-L377 PolarHBondContact O-N 3.18Å |
| 374 | K | 55.7 | Low | 60.1 | Low | 122 Ų | 122 | 111.7 Ų | 111.7 | 53% | 0.53 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.4 | -38.1 | 177.8 | -79.5 | 172.2 | 178.3 | 154.7 | 0 | 112.1 | E370 S376 L377 Y378 | E370-K374 PolarHBondContact O-N 2.88Å; E370-K374 IonicContact OE1-NZ 2.74Å; E370-K374 PolarHBondContact OE1-NZ 2.91Å; K374-S376 PolarHBondContact O-N 3.46Å; K374-L377 PolarHBondContact O-N 3.5Å; K374-Y378 WeakPolarHBondContact O-CD2 3.26Å; K374-Y378 PolarHBondContact O-N 3.42Å |
| 375 | S | 60.4 | Low | 62 | Low | 70 Ų | 70 | 111 Ų | 111 | 49% | 0.49 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.6 | -38 | 177.9 | -170.5 | 0 | 0 | 0 | 0 | 112.8 | R371 E372 S373 Y378 | R371-S375 WeakPolarHBondContact O-CB 3.5Å; R371-S375 PolarHBondContact O-N 2.94Å; E372-S375 PolarHBondContact O-N 3.37Å; S373-S375 PolarHBondContact O-N 3.36Å; S375-Y378 PolarHBondContact O-N 3.47Å |
| 376 | S | 59.1 | Low | 63.8 | Low | 68 Ų | 68 | 109.5 Ų | 109.5 | 48% | 0.476 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 178.7 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | E372 S373 K374 Y378 I379 V380 | E372-S376 PolarHBondContact O-N 3.45Å; E372-S376 VanDerWaalsContact O-N 3.07Å; E372-S376 PolarHBondContact O-OG 3.31Å; S373-S376 PolarHBondContact O-N 2.91Å; K374-S376 PolarHBondContact O-N 3.46Å; S376-Y378 VanDerWaalsContact C-N 3.32Å; S376-Y378 PolarHBondContact O-N 2.96Å; S376-I379 PolarHBondContact O-N 3.29Å; S376-V380 VanDerWaalsContact O-CG2 3.31Å; S376-V380 WeakPolarHBondContact O-CG2 3.41Å; S376-V380 PolarHBondContact O-N 2.88Å |
| 377 | L | 69.5 | Low | 65.5 | Low | 108 Ų | 108 | 107.4 Ų | 107.4 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.3 | -39.1 | 179.1 | -149.3 | 101.9 | 0 | 0 | 0 | 112.4 | S373 K374 I379 I381 | S373-L377 PolarHBondContact O-N 3.18Å; K374-L377 PolarHBondContact O-N 3.5Å; L377-I379 VanDerWaalsContact C-N 3.28Å; L377-I379 PolarHBondContact O-N 3.47Å; L377-I381 HydrophobicContact CD2-CD1 3.61Å; L377-I381 HydrophobicContact CG-CD1 3.78Å; L377-I381 HydrophobicContact CG-CG1 4.46Å; L377-I381 WeakPolarHBondContact O-CD1 3.39Å; L377-I381 VanDerWaalsContact O-CG1 3.28Å; L377-I381 WeakPolarHBondContact O-CG1 3.4Å; L377-I381 PolarHBondContact O-N 3.49Å |
| 378 | Y | 71.9 | Confident | 67.2 | Low | 191 Ų | 191 | 107 Ų | 107 | 75% | 0.749 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.2 | -20.2 | 179.1 | -91.3 | -81 | 0 | 0 | 0 | 114.3 | K374 S375 S376 P382 | K374-Y378 WeakPolarHBondContact O-CD2 3.26Å; K374-Y378 PolarHBondContact O-N 3.42Å; S375-Y378 PolarHBondContact O-N 3.47Å; S376-Y378 VanDerWaalsContact C-N 3.32Å; S376-Y378 PolarHBondContact O-N 2.96Å; Y378-P382 WeakPolarHBondContact O-CD 3.44Å; Y378-P382 WeakPolarHBondContact O-CG 3.22Å |
| 379 | I | 74.2 | Confident | 69.1 | Low | 104 Ų | 104 | 103.8 Ų | 103.8 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -93.9 | -40.6 | 178 | -62.9 | 171.7 | 0 | 0 | 0 | 110.7 | S376 L377 P382 L383 | S376-I379 PolarHBondContact O-N 3.29Å; L377-I379 VanDerWaalsContact C-N 3.28Å; L377-I379 PolarHBondContact O-N 3.47Å; I379-P382 WeakPolarHBondContact O-CD 3.29Å; I379-L383 HydrophobicContact CG2-CD1 4.04Å; I379-L383 WeakPolarHBondContact O-CG 3.34Å; I379-L383 PolarHBondContact O-N 3.34Å |
| 380 | V | 75.4 | Confident | 70.8 | Confident | 82 Ų | 82 | 100.1 Ų | 100.1 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.6 | -41.5 | -176.6 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | S376 L383 V384 | S376-V380 VanDerWaalsContact O-CG2 3.31Å; S376-V380 WeakPolarHBondContact O-CG2 3.41Å; S376-V380 PolarHBondContact O-N 2.88Å; V380-L383 PolarHBondContact O-N 2.85Å; V380-V384 HydrophobicContact CG1-CG2 4.09Å; V380-V384 VanDerWaalsContact O-CG2 3.31Å; V380-V384 WeakPolarHBondContact O-CG2 3.47Å; V380-V384 PolarHBondContact O-N 3.48Å |
| 381 | I | 78.3 | Confident | 72.6 | Confident | 92 Ų | 92 | 97.5 Ų | 97.5 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -50.7 | -177.2 | -66.8 | 168.3 | 0 | 0 | 0 | 112 | L377 L383 V384 V385 | L377-I381 HydrophobicContact CD2-CD1 3.61Å; L377-I381 HydrophobicContact CG-CD1 3.78Å; L377-I381 HydrophobicContact CG-CG1 4.46Å; L377-I381 WeakPolarHBondContact O-CD1 3.39Å; L377-I381 VanDerWaalsContact O-CG1 3.28Å; L377-I381 WeakPolarHBondContact O-CG1 3.4Å; L377-I381 PolarHBondContact O-N 3.49Å; I381-L383 VanDerWaalsContact C-N 3.32Å; I381-L383 PolarHBondContact O-N 3.3Å; I381-V384 PolarHBondContact O-N 2.89Å; I381-V385 HydrophobicContact CG2-CG2 4.42Å; I381-V385 WeakPolarHBondContact O-CG2 3.22Å; I381-V385 PolarHBondContact O-N 3.32Å |
| 382 | P | 82.4 | Confident | 74.6 | Confident | 42 Ų | 42 | 92 Ų | 92 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 176.9 | -24.6 | 34.2 | 0 | 0 | 0 | 113.6 | Y378 I379 V385 V386 | Y378-P382 WeakPolarHBondContact O-CD 3.44Å; Y378-P382 WeakPolarHBondContact O-CG 3.22Å; I379-P382 WeakPolarHBondContact O-CD 3.29Å; P382-V385 PolarHBondContact O-N 3.39Å; P382-V386 WeakPolarHBondContact O-CB 3.45Å; P382-V386 VanDerWaalsContact O-CG2 3.26Å; P382-V386 WeakPolarHBondContact O-CG2 3.32Å; P382-V386 PolarHBondContact O-N 3.45Å |
| 383 | L | 78.1 | Confident | 76.3 | Confident | 99 Ų | 99 | 88.9 Ų | 88.9 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 178 | -79.1 | 170 | 0 | 0 | 0 | 111.8 | I379 V380 I381 V386 F387 | I379-L383 HydrophobicContact CG2-CD1 4.04Å; I379-L383 WeakPolarHBondContact O-CG 3.34Å; I379-L383 PolarHBondContact O-N 3.34Å; V380-L383 PolarHBondContact O-N 2.85Å; I381-L383 VanDerWaalsContact C-N 3.32Å; I381-L383 PolarHBondContact O-N 3.3Å; L383-V386 PolarHBondContact O-N 3.41Å; L383-F387 WeakPolarHBondContact O-CB 3.27Å; L383-F387 PolarHBondContact O-N 2.87Å |
| 384 | V | 80.8 | Confident | 77.9 | Confident | 67 Ų | 67 | 88.6 Ų | 88.6 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | V380 I381 F387 F388 | V380-V384 HydrophobicContact CG1-CG2 4.09Å; V380-V384 VanDerWaalsContact O-CG2 3.31Å; V380-V384 WeakPolarHBondContact O-CG2 3.47Å; V380-V384 PolarHBondContact O-N 3.48Å; I381-V384 PolarHBondContact O-N 2.89Å; V384-F387 WeakPolarHBondContact O-CB 3.39Å; V384-F387 PolarHBondContact O-N 3.34Å; V384-F388 HydrophobicContact CG1-CD2 3.69Å; V384-F388 HydrophobicContact CG1-CE2 3.43Å; V384-F388 VanDerWaalsContact CG1-CE2 3.43Å; V384-F388 WeakPolarHBondContact O-CD2 3.35Å; V384-F388 PolarHBondContact O-N 3.48Å |
| 385 | V | 82.7 | Confident | 79.3 | Confident | 81 Ų | 81 | 85.5 Ų | 85.5 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | I381 P382 F387 F388 V389 | I381-V385 HydrophobicContact CG2-CG2 4.42Å; I381-V385 WeakPolarHBondContact O-CG2 3.22Å; I381-V385 PolarHBondContact O-N 3.32Å; P382-V385 PolarHBondContact O-N 3.39Å; V385-F387 VanDerWaalsContact C-N 3.33Å; V385-F387 PolarHBondContact O-N 3.19Å; V385-F388 PolarHBondContact O-N 3.21Å; V385-V389 HydrophobicContact CG1-CG2 4.46Å; V385-V389 WeakPolarHBondContact O-CG2 3.06Å; V385-V389 PolarHBondContact O-N 2.88Å |
| 386 | V | 83.4 | Confident | 80.5 | Confident | 63 Ų | 63 | 86.5 Ų | 86.5 | 38% | 0.382 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 111 | I16 P382 L383 F388 V389 V390 | I16-V386 HydrophobicContact CD1-CG1 4.43Å; P382-V386 WeakPolarHBondContact O-CB 3.45Å; P382-V386 VanDerWaalsContact O-CG2 3.26Å; P382-V386 WeakPolarHBondContact O-CG2 3.32Å; P382-V386 PolarHBondContact O-N 3.45Å; L383-V386 PolarHBondContact O-N 3.41Å; V386-F388 PolarHBondContact O-N 2.88Å; V386-V389 PolarHBondContact O-N 2.87Å; V386-V390 HydrophobicContact CG1-CG2 4.41Å; V386-V390 WeakPolarHBondContact O-CG2 3.48Å; V386-V390 PolarHBondContact O-N 3.38Å |
| 387 | F | 82 | Confident | 81.7 | Confident | 136 Ų | 136 | 87.4 Ų | 87.4 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.4 | -47.3 | 175.7 | -179.1 | -99.3 | 0 | 0 | 0 | 111.6 | L383 V384 V385 V389 V390 C391 | L383-F387 WeakPolarHBondContact O-CB 3.27Å; L383-F387 PolarHBondContact O-N 2.87Å; V384-F387 WeakPolarHBondContact O-CB 3.39Å; V384-F387 PolarHBondContact O-N 3.34Å; V385-F387 VanDerWaalsContact C-N 3.33Å; V385-F387 PolarHBondContact O-N 3.19Å; F387-V389 PolarHBondContact O-N 3.47Å; F387-V390 PolarHBondContact O-N 3Å; F387-C391 WeakPolarHBondContact O-CB 3.44Å; F387-C391 PolarHBondContact O-N 2.89Å; F387-C391 PolarHBondContact O-SG 2.96Å |
| 388 | F | 84.2 | Confident | 82.3 | Confident | 120 Ų | 120 | 87.2 Ų | 87.2 | 53% | 0.526 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 176.9 | -78.9 | -66.5 | 0 | 0 | 0 | 112.9 | V384 V385 V386 V390 C391 I392 | V384-F388 HydrophobicContact CG1-CD2 3.69Å; V384-F388 HydrophobicContact CG1-CE2 3.43Å; V384-F388 VanDerWaalsContact CG1-CE2 3.43Å; V384-F388 WeakPolarHBondContact O-CD2 3.35Å; V384-F388 PolarHBondContact O-N 3.48Å; V385-F388 PolarHBondContact O-N 3.21Å; V386-F388 PolarHBondContact O-N 2.88Å; F388-V390 PolarHBondContact O-N 3.31Å; F388-C391 PolarHBondContact O-N 3.27Å; F388-I392 WeakPolarHBondContact O-CB 3.34Å; F388-I392 WeakPolarHBondContact O-CD1 3.47Å; F388-I392 WeakPolarHBondContact O-CG1 3.13Å; F388-I392 PolarHBondContact O-N 3.36Å |
| 389 | V | 87.1 | Confident | 82.9 | Confident | 95 Ų | 95 | 85.3 Ų | 85.3 | 58% | 0.576 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 176.9 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | V385 V386 F387 I392 G393 | V385-V389 HydrophobicContact CG1-CG2 4.46Å; V385-V389 WeakPolarHBondContact O-CG2 3.06Å; V385-V389 PolarHBondContact O-N 2.88Å; V386-V389 PolarHBondContact O-N 2.87Å; F387-V389 PolarHBondContact O-N 3.47Å; V389-I392 PolarHBondContact O-N 3.28Å; V389-G393 PolarHBondContact O-N 3.37Å |
| 390 | V | 85.3 | Confident | 83.3 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 39% | 0.394 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 175.6 | 173 | 0 | 0 | 0 | 0 | 111 | I16 V386 F387 F388 I392 G393 C394 | I16-V390 HydrophobicContact CD1-CG2 4.41Å; V386-V390 HydrophobicContact CG1-CG2 4.41Å; V386-V390 WeakPolarHBondContact O-CG2 3.48Å; V386-V390 PolarHBondContact O-N 3.38Å; F387-V390 PolarHBondContact O-N 3Å; F388-V390 PolarHBondContact O-N 3.31Å; V390-I392 PolarHBondContact O-N 3.45Å; V390-G393 PolarHBondContact O-N 3.31Å; V390-C394 WeakPolarHBondContact O-CB 3.4Å; V390-C394 PolarHBondContact O-N 2.94Å; V390-C394 PolarHBondContact O-SG 3.43Å; V390-C394 VanDerWaalsContact O-SG 3.39Å |
| 391 | C | 85.8 | Confident | 83.3 | Confident | 54 Ų | 54 | 87.9 Ų | 87.9 | 37% | 0.365 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.9 | -73.1 | 0 | 0 | 0 | 0 | 112.3 | F387 F388 C394 A395 | F387-C391 WeakPolarHBondContact O-CB 3.44Å; F387-C391 PolarHBondContact O-N 2.89Å; F387-C391 PolarHBondContact O-SG 2.96Å; F388-C391 PolarHBondContact O-N 3.27Å; C391-C394 PolarHBondContact O-N 3.3Å; C391-A395 WeakPolarHBondContact O-CB 3.41Å; C391-A395 PolarHBondContact O-N 3.47Å |
| 392 | I | 88.3 | Confident | 83.4 | Confident | 95 Ų | 95 | 92.5 Ų | 92.5 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 176 | -68 | 164.2 | 0 | 0 | 0 | 110.1 | F388 V389 V390 C394 A395 I396 | F388-I392 WeakPolarHBondContact O-CB 3.34Å; F388-I392 WeakPolarHBondContact O-CD1 3.47Å; F388-I392 WeakPolarHBondContact O-CG1 3.13Å; F388-I392 PolarHBondContact O-N 3.36Å; V389-I392 PolarHBondContact O-N 3.28Å; V390-I392 PolarHBondContact O-N 3.45Å; I392-C394 PolarHBondContact O-N 3.41Å; I392-A395 PolarHBondContact O-N 3.39Å; I392-I396 HydrophobicContact CG2-CD1 3.7Å; I392-I396 HydrophobicContact CG2-CG1 4.35Å; I392-I396 VanDerWaalsContact O-CG1 3.29Å; I392-I396 WeakPolarHBondContact O-CG1 3.17Å; I392-I396 PolarHBondContact O-N 3.36Å |
| 393 | G | 86.3 | Confident | 83.2 | Confident | 36 Ų | 36 | 98 Ų | 98 | 37% | 0.371 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V389 V390 I396 C397 | V389-G393 PolarHBondContact O-N 3.37Å; V390-G393 PolarHBondContact O-N 3.31Å; G393-I396 PolarHBondContact O-N 3Å; G393-C397 WeakPolarHBondContact O-CB 3.38Å; G393-C397 PolarHBondContact O-N 2.85Å |
| 394 | C | 85.3 | Confident | 82.6 | Confident | 70 Ų | 70 | 101.7 Ų | 101.7 | 47% | 0.473 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -44 | 173.9 | -76.8 | 0 | 0 | 0 | 0 | 112.1 | V390 C391 I392 C397 L398 | V390-C394 WeakPolarHBondContact O-CB 3.4Å; V390-C394 PolarHBondContact O-N 2.94Å; V390-C394 PolarHBondContact O-SG 3.43Å; V390-C394 VanDerWaalsContact O-SG 3.39Å; C391-C394 PolarHBondContact O-N 3.3Å; I392-C394 PolarHBondContact O-N 3.41Å; C394-C397 PolarHBondContact O-N 3.02Å; C394-L398 WeakPolarHBondContact O-CB 3.44Å; C394-L398 VanDerWaalsContact O-CG 3.27Å; C394-L398 WeakPolarHBondContact O-CG 3.47Å; C394-L398 PolarHBondContact O-N 3.44Å |
| 395 | A | 84.3 | Confident | 82 | Confident | 57 Ų | 57 | 106.5 Ų | 106.5 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | C391 I392 L398 W399 | C391-A395 WeakPolarHBondContact O-CB 3.41Å; C391-A395 PolarHBondContact O-N 3.47Å; I392-A395 PolarHBondContact O-N 3.39Å; A395-L398 PolarHBondContact O-N 3.48Å; A395-W399 WeakPolarHBondContact O-CB 3.28Å; A395-W399 PolarHBondContact O-N 3.25Å |
| 396 | I | 86.9 | Confident | 81.1 | Confident | 91 Ų | 91 | 107.4 Ų | 107.4 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 175.8 | -66.3 | 167.8 | 0 | 0 | 0 | 110.4 | I392 G393 L398 W399 L400 | I392-I396 HydrophobicContact CG2-CD1 3.7Å; I392-I396 HydrophobicContact CG2-CG1 4.35Å; I392-I396 VanDerWaalsContact O-CG1 3.29Å; I392-I396 WeakPolarHBondContact O-CG1 3.17Å; I392-I396 PolarHBondContact O-N 3.36Å; G393-I396 PolarHBondContact O-N 3Å; I396-L398 PolarHBondContact O-N 3.37Å; I396-W399 PolarHBondContact O-N 3.47Å; I396-L400 HydrophobicContact CG2-CD1 4.02Å; I396-L400 HydrophobicContact CG2-CG 4.36Å; I396-L400 WeakPolarHBondContact O-CB 3.31Å; I396-L400 WeakPolarHBondContact O-CG 3.44Å; I396-L400 PolarHBondContact O-N 3.39Å |
| 397 | C | 82.8 | Confident | 79.5 | Confident | 88 Ų | 88 | 110.4 Ų | 110.4 | 60% | 0.595 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.7 | -44.9 | 175.2 | -103.4 | 0 | 0 | 0 | 0 | 112.2 | G393 C394 W399 L400 Y401 | G393-C397 WeakPolarHBondContact O-CB 3.38Å; G393-C397 PolarHBondContact O-N 2.85Å; C394-C397 PolarHBondContact O-N 3.02Å; C397-W399 VanDerWaalsContact C-N 3.34Å; C397-L400 PolarHBondContact O-N 3.19Å; C397-Y401 WeakPolarHBondContact O-CB 3.38Å; C397-Y401 PolarHBondContact O-N 3.01Å |
| 398 | L | 83.7 | Confident | 77.6 | Confident | 104 Ų | 104 | 113.3 Ų | 113.3 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65 | -38.2 | 176.6 | -74.3 | 171.4 | 0 | 0 | 0 | 112 | C394 A395 I396 Y401 R402 | C394-L398 WeakPolarHBondContact O-CB 3.44Å; C394-L398 VanDerWaalsContact O-CG 3.27Å; C394-L398 WeakPolarHBondContact O-CG 3.47Å; C394-L398 PolarHBondContact O-N 3.44Å; A395-L398 PolarHBondContact O-N 3.48Å; I396-L398 PolarHBondContact O-N 3.37Å; L398-Y401 PolarHBondContact O-N 2.95Å; L398-R402 WeakPolarHBondContact O-CG 3.31Å; L398-R402 PolarHBondContact O-N 3.05Å |
| 399 | W | 84 | Confident | 77.3 | Confident | 151 Ų | 151 | 113 Ų | 113 | 57% | 0.572 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.9 | -46.3 | 177.1 | -173.2 | 80.6 | 0 | 0 | 0 | 111.8 | A395 I396 C397 Y401 R402 R403 | A395-W399 WeakPolarHBondContact O-CB 3.28Å; A395-W399 PolarHBondContact O-N 3.25Å; I396-W399 PolarHBondContact O-N 3.47Å; C397-W399 VanDerWaalsContact C-N 3.34Å; W399-Y401 VanDerWaalsContact C-N 3.33Å; W399-Y401 PolarHBondContact O-N 3.48Å; W399-R402 PolarHBondContact O-N 3.33Å; W399-R403 VanDerWaalsContact CH2-NH1 3.32Å; W399-R403 WeakPolarHBondContact O-CB 3.34Å; W399-R403 PolarHBondContact O-N 3.35Å |
| 400 | L | 82.3 | Confident | 76.8 | Confident | 93 Ų | 93 | 113.9 Ų | 113.9 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.2 | -39 | 174.7 | -68.9 | 175.8 | 0 | 0 | 0 | 111.9 | I396 C397 R403 K404 | I396-L400 HydrophobicContact CG2-CD1 4.02Å; I396-L400 HydrophobicContact CG2-CG 4.36Å; I396-L400 WeakPolarHBondContact O-CB 3.31Å; I396-L400 WeakPolarHBondContact O-CG 3.44Å; I396-L400 PolarHBondContact O-N 3.39Å; C397-L400 PolarHBondContact O-N 3.19Å; L400-R403 PolarHBondContact O-N 3.24Å; L400-K404 PolarHBondContact O-N 3.45Å |
| 401 | Y | 76.5 | Confident | 76.3 | Confident | 146 Ų | 146 | 116.6 Ų | 116.6 | 57% | 0.573 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.2 | -46.5 | 174.6 | 179 | -100.7 | 0 | 0 | 0 | 112 | C397 L398 W399 K404 K405 | C397-Y401 WeakPolarHBondContact O-CB 3.38Å; C397-Y401 PolarHBondContact O-N 3.01Å; L398-Y401 PolarHBondContact O-N 2.95Å; W399-Y401 VanDerWaalsContact C-N 3.33Å; W399-Y401 PolarHBondContact O-N 3.48Å; Y401-K404 PolarHBondContact O-N 3.48Å; Y401-K405 PolarHBondContact O-N 3.07Å; Y401-K405 VanDerWaalsContact O-N 3.17Å |
| 402 | R | 80.2 | Confident | 75.8 | Confident | 189 Ų | 189 | 120.3 Ų | 120.3 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.9 | -41.8 | 175.7 | -75 | -177.5 | -178.2 | -178.5 | 1.6 | 111.8 | L398 W399 K404 K405 S406 | L398-R402 WeakPolarHBondContact O-CG 3.31Å; L398-R402 PolarHBondContact O-N 3.05Å; W399-R402 PolarHBondContact O-N 3.33Å; R402-K404 VanDerWaalsContact C-N 3.34Å; R402-K404 PolarHBondContact O-N 2.81Å; R402-K405 PolarHBondContact O-N 3.49Å; R402-S406 PolarHBondContact O-N 3.02Å |
| 403 | R | 77.2 | Confident | 75 | Confident | 158 Ų | 158 | 121.9 Ų | 121.9 | 60% | 0.596 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.8 | -39 | 179 | -165.7 | 175.6 | -177.2 | 177.8 | 0.4 | 112.4 | W399 L400 S406 N407 | W399-R403 VanDerWaalsContact CH2-NH1 3.32Å; W399-R403 WeakPolarHBondContact O-CB 3.34Å; W399-R403 PolarHBondContact O-N 3.35Å; L400-R403 PolarHBondContact O-N 3.24Å; R403-S406 PolarHBondContact O-N 2.99Å; R403-N407 PolarHBondContact O-N 2.74Å |
| 404 | K | 66.4 | Low | 74.2 | Confident | 177 Ų | 177 | 127.6 Ų | 127.6 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.9 | -24.3 | 177.2 | -160.3 | 174.1 | -177.5 | 178.1 | 0 | 113.2 | L400 Y401 R402 | L400-K404 PolarHBondContact O-N 3.45Å; Y401-K404 PolarHBondContact O-N 3.48Å; R402-K404 VanDerWaalsContact C-N 3.34Å; R402-K404 PolarHBondContact O-N 2.81Å |
| 405 | K | 66.9 | Low | 73.5 | Confident | 167 Ų | 167 | 131.7 Ų | 131.7 | 73% | 0.726 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.6 | -26.2 | 173.1 | -168.6 | 174.8 | -179.9 | 177.9 | 0 | 112.8 | Y401 R402 | Y401-K405 PolarHBondContact O-N 3.07Å; Y401-K405 VanDerWaalsContact O-N 3.17Å; R402-K405 PolarHBondContact O-N 3.49Å |
| 406 | S | 64.5 | Low | 72.6 | Confident | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -87.6 | -10.2 | 179.3 | -73.7 | 0 | 0 | 0 | 0 | 115 | R402 R403 | R402-S406 PolarHBondContact O-N 3.02Å; R403-S406 PolarHBondContact O-N 2.99Å |
| 407 | N | 48.8 | Very low | 71.4 | Confident | 127 Ų | 127 | 141.3 Ų | 141.3 | 68% | 0.679 | 69% | 0.686 | S | S | * | * | trans | -116.4 | 100.7 | 169.6 | -92.7 | -0.8 | 0 | 0 | 0 | 108.7 | R403 | R403-N407 PolarHBondContact O-N 2.74Š| ||
| 408 | P | 44 | Very low | 70.4 | Confident | 196 Ų | 196 | 146.2 Ų | 146.2 | 100% | 1.273 | 69% | 0.694 | S | S | * | * | trans | -64 | 0 | 178.3 | 26.9 | -32.8 | 0 | 0 | 0 | 113.2 |
Retrieved 408 of 408 residues in 465.6 ms
(Link to these results)