| 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 | 51.3 | Low | 68.3 | Low | 215 Ų | 215 | 114.5 Ų | 114.5 | 100% | 1.059 | 59% | 0.589 | S | S | * | * | 0 | -40.3 | 0 | -69.2 | 174.8 | -174 | 0 | 0 | 113.5 | N3 S4 | M1-N3 PolarHBondContact O-N 2.89Å; M1-S4 PolarHBondContact O-N 3.43Å | |||
| 2 | R | 51.9 | Low | 69.3 | Low | 233 Ų | 233 | 113.3 Ų | 113.3 | 88% | 0.879 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.4 | -33.3 | -178.1 | -162.7 | 166.6 | 72.3 | -163.9 | 4.6 | 116.2 | ||
| 3 | N | 56.5 | Low | 69.9 | Low | 125 Ų | 125 | 111.9 Ų | 111.9 | 67% | 0.668 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -76.8 | -23.3 | -178.7 | -133.6 | 20.4 | 0 | 0 | 0 | 113.4 | M1 N7 | M1-N3 PolarHBondContact O-N 2.89Å; N3-N7 PolarHBondContact O-N 3.22Å; N3-N7 PolarHBondContact O-ND2 3.14Å |
| 4 | S | 59.4 | Low | 70.4 | Confident | 73 Ų | 73 | 112.6 Ų | 112.6 | 51% | 0.51 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -76.1 | -44.1 | -179.7 | -165.8 | 0 | 0 | 0 | 0 | 111 | M1 Y6 N7 I8 | M1-S4 PolarHBondContact O-N 3.43Å; S4-Y6 VanDerWaalsContact C-N 3.33Å; S4-Y6 PolarHBondContact O-N 3.38Å; S4-N7 PolarHBondContact O-N 3.4Å; S4-I8 WeakPolarHBondContact O-CG1 3.25Å; S4-I8 PolarHBondContact O-N 3.26Å; S4-I8 VanDerWaalsContact O-N 3.07Å |
| 5 | C | 66.1 | Low | 70.7 | Confident | 80 Ų | 80 | 109.8 Ų | 109.8 | 54% | 0.541 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.5 | -37.1 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | I8 V9 | C5-I8 PolarHBondContact O-N 3.27Å; C5-V9 WeakPolarHBondContact O-CB 3.4Å; C5-V9 VanDerWaalsContact O-CG2 3.22Å; C5-V9 WeakPolarHBondContact O-CG2 3.49Å; C5-V9 PolarHBondContact O-N 3.02Å |
| 6 | Y | 76.6 | Confident | 70.6 | Confident | 161 Ų | 161 | 109.3 Ų | 109.3 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.7 | -45.6 | 176.4 | 178.5 | -97.8 | 0 | 0 | 0 | 112.2 | S4 V9 A10 | S4-Y6 VanDerWaalsContact C-N 3.33Å; S4-Y6 PolarHBondContact O-N 3.38Å; Y6-V9 PolarHBondContact O-N 2.72Å; Y6-A10 VanDerWaalsContact O-CB 3.26Å; Y6-A10 WeakPolarHBondContact O-CB 3.24Å; Y6-A10 PolarHBondContact O-N 3.02Å |
| 7 | N | 68.9 | Low | 70.2 | Confident | 86 Ų | 86 | 108.1 Ų | 108.1 | 46% | 0.46 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.6 | -40.3 | 178.1 | -74.6 | -66.6 | 0 | 0 | 0 | 111.5 | N3 S4 A10 T11 | N3-N7 PolarHBondContact O-N 3.22Å; N3-N7 PolarHBondContact O-ND2 3.14Å; S4-N7 PolarHBondContact O-N 3.4Å; N7-A10 PolarHBondContact O-N 2.91Å; N7-T11 WeakPolarHBondContact O-CB 3.05Å; N7-T11 PolarHBondContact O-N 2.86Å; N7-T11 PolarHBondContact O-OG1 2.99Å |
| 8 | I | 79.3 | Confident | 69.7 | Low | 95 Ų | 95 | 109.7 Ų | 109.7 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.4 | -45.9 | 176.1 | -66.1 | 165 | 0 | 0 | 0 | 111.2 | S4 C5 T11 L12 | S4-I8 WeakPolarHBondContact O-CG1 3.25Å; S4-I8 PolarHBondContact O-N 3.26Å; S4-I8 VanDerWaalsContact O-N 3.07Å; C5-I8 PolarHBondContact O-N 3.27Å; I8-T11 PolarHBondContact O-N 3.23Å; I8-L12 HydrophobicContact CG2-CD1 4.02Å; I8-L12 WeakPolarHBondContact O-CB 3.35Å; I8-L12 PolarHBondContact O-N 3.27Å |
| 9 | V | 81.4 | Confident | 68.9 | Low | 79 Ų | 79 | 110.4 Ų | 110.4 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -43.5 | 177.9 | 172.1 | 0 | 0 | 0 | 0 | 111 | C5 Y6 T11 L12 L13 | C5-V9 WeakPolarHBondContact O-CB 3.4Å; C5-V9 VanDerWaalsContact O-CG2 3.22Å; C5-V9 WeakPolarHBondContact O-CG2 3.49Å; C5-V9 PolarHBondContact O-N 3.02Å; Y6-V9 PolarHBondContact O-N 2.72Å; V9-T11 VanDerWaalsContact C-N 3.3Å; V9-T11 PolarHBondContact O-N 2.04Å; V9-L12 PolarHBondContact O-N 2.68Å; V9-L13 HydrophobicContact CG1-CD1 3.93Å; V9-L13 HydrophobicContact CG1-CG 4.36Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 VanDerWaalsContact O-CG 3.24Å; V9-L13 WeakPolarHBondContact O-CG 3.44Å; V9-L13 PolarHBondContact O-N 3.13Å |
| 10 | A | 79.2 | Confident | 68.2 | Low | 31 Ų | 31 | 114.6 Ų | 114.6 | 26% | 0.256 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.9 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y6 N7 L13 L14 | Y6-A10 VanDerWaalsContact O-CB 3.26Å; Y6-A10 WeakPolarHBondContact O-CB 3.24Å; Y6-A10 PolarHBondContact O-N 3.02Å; N7-A10 PolarHBondContact O-N 2.91Å; A10-L13 PolarHBondContact O-N 3.2Å; A10-L14 WeakPolarHBondContact O-CB 3.26Å; A10-L14 VanDerWaalsContact O-CG 3.23Å; A10-L14 WeakPolarHBondContact O-CG 3.44Å; A10-L14 PolarHBondContact O-N 3.43Å |
| 11 | T | 81 | Confident | 67.3 | Low | 82 Ų | 82 | 113.5 Ų | 113.5 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.2 | -41.8 | 179.2 | -44.4 | 0 | 0 | 0 | 0 | 111.2 | N7 I8 V9 L14 V15 | N7-T11 WeakPolarHBondContact O-CB 3.05Å; N7-T11 PolarHBondContact O-N 2.86Å; N7-T11 PolarHBondContact O-OG1 2.99Å; I8-T11 PolarHBondContact O-N 3.23Å; V9-T11 VanDerWaalsContact C-N 3.3Å; V9-T11 PolarHBondContact O-N 2.04Å; T11-L14 PolarHBondContact O-N 2.85Å; T11-V15 VanDerWaalsContact O-CG2 3.29Å; T11-V15 WeakPolarHBondContact O-CG2 3.08Å; T11-V15 PolarHBondContact O-N 3.35Å |
| 12 | L | 80.3 | Confident | 67.3 | Low | 99 Ų | 99 | 111.9 Ų | 111.9 | 52% | 0.518 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.6 | -44.1 | 172.8 | -83.2 | 162.5 | 0 | 0 | 0 | 111.7 | I8 V9 L14 V15 L16 | I8-L12 HydrophobicContact CG2-CD1 4.02Å; I8-L12 WeakPolarHBondContact O-CB 3.35Å; I8-L12 PolarHBondContact O-N 3.27Å; V9-L12 PolarHBondContact O-N 2.68Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 2.83Å; L12-V15 PolarHBondContact O-N 3.37Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 WeakPolarHBondContact O-CG 3.17Å; L12-L16 PolarHBondContact O-N 2.77Å |
| 13 | L | 77.4 | Confident | 67.4 | Low | 96 Ų | 96 | 104.4 Ų | 104.4 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 176.7 | -70 | 172.4 | 0 | 0 | 0 | 112.1 | V9 A10 N17 | V9-L13 HydrophobicContact CG1-CD1 3.93Å; V9-L13 HydrophobicContact CG1-CG 4.36Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 VanDerWaalsContact O-CG 3.24Å; V9-L13 WeakPolarHBondContact O-CG 3.44Å; V9-L13 PolarHBondContact O-N 3.13Å; A10-L13 PolarHBondContact O-N 3.2Å; L13-N17 VanDerWaalsContact O-CB 3.28Å; L13-N17 WeakPolarHBondContact O-CB 3.35Å; L13-N17 PolarHBondContact O-N 3.18Å; L13-N17 PolarHBondContact O-ND2 2.79Å |
| 14 | L | 77.1 | Confident | 67.2 | Low | 121 Ų | 121 | 104.2 Ų | 104.2 | 63% | 0.634 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.6 | -41 | 175.2 | -72.5 | 170.4 | 0 | 0 | 0 | 112.1 | A10 T11 L12 N17 F18 | A10-L14 WeakPolarHBondContact O-CB 3.26Å; A10-L14 VanDerWaalsContact O-CG 3.23Å; A10-L14 WeakPolarHBondContact O-CG 3.44Å; A10-L14 PolarHBondContact O-N 3.43Å; T11-L14 PolarHBondContact O-N 2.85Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 2.83Å; L14-N17 PolarHBondContact O-N 3.26Å; L14-F18 VanDerWaalsContact O-CB 3.26Å; L14-F18 WeakPolarHBondContact O-CB 3.07Å; L14-F18 PolarHBondContact O-N 2.83Å |
| 15 | V | 74.3 | Confident | 66.9 | Low | 71 Ų | 71 | 108.2 Ų | 108.2 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 176.3 | 172 | 0 | 0 | 0 | 0 | 111.1 | T11 L12 N17 F18 E19 | T11-V15 VanDerWaalsContact O-CG2 3.29Å; T11-V15 WeakPolarHBondContact O-CG2 3.08Å; T11-V15 PolarHBondContact O-N 3.35Å; L12-V15 PolarHBondContact O-N 3.37Å; V15-N17 VanDerWaalsContact C-N 3.34Å; V15-N17 PolarHBondContact O-N 2.57Å; V15-F18 WeakPolarHBondContact O-CB 3.44Å; V15-F18 PolarHBondContact O-N 3.02Å; V15-F18 VanDerWaalsContact O-N 3.16Å; V15-E19 WeakPolarHBondContact O-CG 3.42Å; V15-E19 PolarHBondContact O-N 2.89Å |
| 16 | L | 69.4 | Low | 66.7 | Low | 101 Ų | 101 | 109.2 Ų | 109.2 | 53% | 0.529 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 176.9 | -69.1 | 170.2 | 0 | 0 | 0 | 112 | L12 R20 | L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 WeakPolarHBondContact O-CG 3.17Å; L12-L16 PolarHBondContact O-N 2.77Å; L16-R20 VanDerWaalsContact O-CB 3.26Å; L16-R20 WeakPolarHBondContact O-CB 3.27Å; L16-R20 PolarHBondContact O-N 2.9Å |
| 17 | N | 63.9 | Low | 66.4 | Low | 90 Ų | 90 | 104 Ų | 104 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.7 | -37.2 | 172 | -81.9 | -56.1 | 0 | 0 | 0 | 112 | L13 L14 V15 R20 T21 | L13-N17 VanDerWaalsContact O-CB 3.28Å; L13-N17 WeakPolarHBondContact O-CB 3.35Å; L13-N17 PolarHBondContact O-N 3.18Å; L13-N17 PolarHBondContact O-ND2 2.79Å; L14-N17 PolarHBondContact O-N 3.26Å; V15-N17 VanDerWaalsContact C-N 3.34Å; V15-N17 PolarHBondContact O-N 2.57Å; N17-R20 PolarHBondContact O-N 2.92Å; N17-T21 PolarHBondContact O-N 2.88Å; N17-T21 PolarHBondContact O-OG1 3.42Å; N17-T21 VanDerWaalsContact O-OG1 3.05Å |
| 18 | F | 59.9 | Low | 66.8 | Low | 137 Ų | 137 | 100.6 Ų | 100.6 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66 | -43.7 | 176.9 | -173.7 | -103.4 | 0 | 0 | 0 | 112.3 | L14 V15 R20 T21 R22 | L14-F18 VanDerWaalsContact O-CB 3.26Å; L14-F18 WeakPolarHBondContact O-CB 3.07Å; L14-F18 PolarHBondContact O-N 2.83Å; V15-F18 WeakPolarHBondContact O-CB 3.44Å; V15-F18 PolarHBondContact O-N 3.02Å; V15-F18 VanDerWaalsContact O-N 3.16Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-T21 WeakPolarHBondContact CA-OG1 3.49Å; F18-T21 PolarHBondContact O-N 3.34Å; F18-T21 PolarHBondContact O-OG1 2.78Å; F18-R22 PolarHBondContact O-N 3.39Å |
| 19 | E | 55.4 | Low | 66.9 | Low | 123 Ų | 123 | 99 Ų | 99 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -38.1 | 173.6 | -72.3 | -174.6 | 168.9 | 0 | 0 | 112 | V15 T21 R22 S23 | V15-E19 WeakPolarHBondContact O-CG 3.42Å; V15-E19 PolarHBondContact O-N 2.89Å; E19-T21 PolarHBondContact O-N 3.25Å; E19-R22 PolarHBondContact O-N 3.41Å; E19-S23 PolarHBondContact O-N 2.83Å |
| 20 | R | 54.2 | Low | 67.1 | Low | 194 Ų | 194 | 101.6 Ų | 101.6 | 73% | 0.732 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.2 | -37.1 | 175.2 | -164.8 | 175.3 | -153.2 | 151.2 | 6 | 113 | L16 N17 F18 | L16-R20 VanDerWaalsContact O-CB 3.26Å; L16-R20 WeakPolarHBondContact O-CB 3.27Å; L16-R20 PolarHBondContact O-N 2.9Å; N17-R20 PolarHBondContact O-N 2.92Å; F18-R20 VanDerWaalsContact C-N 3.34Å |
| 21 | T | 49 | Very low | 67.6 | Low | 92 Ų | 92 | 100.2 Ų | 100.2 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.8 | -30.7 | 174.5 | 44 | 0 | 0 | 0 | 0 | 113.2 | N17 F18 E19 | N17-T21 PolarHBondContact O-N 2.88Å; N17-T21 PolarHBondContact O-OG1 3.42Å; N17-T21 VanDerWaalsContact O-OG1 3.05Å; F18-T21 WeakPolarHBondContact CA-OG1 3.49Å; F18-T21 PolarHBondContact O-N 3.34Å; F18-T21 PolarHBondContact O-OG1 2.78Å; E19-T21 PolarHBondContact O-N 3.25Å |
| 22 | R | 52.3 | Low | 68.3 | Low | 181 Ų | 181 | 100.1 Ų | 100.1 | 68% | 0.683 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71 | -37.1 | 178.5 | -161.9 | 178.4 | -164.2 | 171 | 4.2 | 112.4 | F18 E19 L24 Q25 | F18-R22 PolarHBondContact O-N 3.39Å; E19-R22 PolarHBondContact O-N 3.41Å; R22-L24 VanDerWaalsContact C-N 3.27Å; R22-L24 PolarHBondContact O-N 2.99Å; R22-Q25 PolarHBondContact O-N 2.78Å |
| 23 | S | 53.5 | Low | 69 | Low | 76 Ų | 76 | 97.2 Ų | 97.2 | 53% | 0.531 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.5 | -36.1 | 177.9 | 168.7 | 0 | 0 | 0 | 0 | 112.9 | E19 Q25 D26 L27 | E19-S23 PolarHBondContact O-N 2.83Å; S23-Q25 VanDerWaalsContact C-N 3.3Å; S23-Q25 PolarHBondContact O-N 2.04Å; S23-D26 PolarHBondContact O-N 3.27Å; S23-L27 WeakPolarHBondContact O-CD1 3.04Å |
| 24 | L | 51.7 | Low | 69.9 | Low | 121 Ų | 121 | 92.9 Ų | 92.9 | 63% | 0.634 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -74.5 | -20.5 | -176.8 | -138.1 | 143.8 | 0 | 0 | 0 | 113.1 | R22 | R22-L24 VanDerWaalsContact C-N 3.27Å; R22-L24 PolarHBondContact O-N 2.99Å |
| 25 | Q | 53.5 | Low | 70.7 | Confident | 157 Ų | 157 | 88.1 Ų | 88.1 | 73% | 0.734 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -82.3 | -16.4 | 174.3 | -155.6 | 108.8 | 31.6 | 0 | 0 | 112.3 | R22 S23 | R22-Q25 PolarHBondContact O-N 2.78Å; S23-Q25 VanDerWaalsContact C-N 3.3Å; S23-Q25 PolarHBondContact O-N 2.04Å |
| 26 | D | 61.9 | Low | 71.6 | Confident | 101 Ų | 101 | 87.3 Ų | 87.3 | 54% | 0.54 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -102.5 | -10.4 | -164.4 | -151.8 | 20.1 | 0 | 0 | 0 | 115.2 | S23 C28 S29 | S23-D26 PolarHBondContact O-N 3.27Å; D26-C28 VanDerWaalsContact C-N 3.28Å; D26-C28 PolarHBondContact O-N 2.86Å; D26-S29 WeakPolarHBondContact CA-OG 3.47Å; D26-S29 PolarHBondContact O-N 2.87Å; D26-S29 PolarHBondContact O-OG 3.38Å; D26-S29 WeakPolarHBondContact OD1-CB 3.36Å; D26-S29 PolarHBondContact OD1-OG 2.89Å |
| 27 | L | 69.9 | Low | 72.5 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 27% | 0.272 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -68.4 | -25.8 | -173.8 | -70.8 | 112.2 | 0 | 0 | 0 | 114.3 | S23 Q43 | S23-L27 WeakPolarHBondContact O-CD1 3.04Å; L27-Q43 HydrophobicContact CD2-CG 4.39Å |
| 28 | C | 77.1 | Confident | 73.3 | Confident | 13 Ų | 13 | 81.8 Ų | 81.8 | 9% | 0.088 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -102.5 | -12.1 | -178.5 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | D26 N30 C31 C37 G58 | D26-C28 VanDerWaalsContact C-N 3.28Å; D26-C28 PolarHBondContact O-N 2.86Å; C28-N30 PolarHBondContact O-N 2.81Å; C28-C31 WeakPolarHBondContact O-CB 3.39Å; C28-C31 PolarHBondContact O-N 2.94Å; C28-C37 VanDerWaalsContact CA-SG 3.59Å; C28-C37 HydrophobicContact CB-CB 3.48Å; C28-C37 VanDerWaalsContact CB-CB 3.48Å; C28-C37 WeakPolarHBondContact CB-SG 3.19Å; C28-C37 WeakPolarHBondContact SG-CB 3.3Å; C28-C37 CovalentContact SG-SG 2.05Å; C28-C37 PolarHBondContact SG-SG 2.81Å; C28-G58 WeakPolarHBondContact O-CA 3.07Å |
| 29 | S | 81.5 | Confident | 73.7 | Confident | 62 Ų | 62 | 80.6 Ų | 80.6 | 43% | 0.434 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -30 | -175.1 | -51.7 | 0 | 0 | 0 | 0 | 114.1 | D26 | D26-S29 WeakPolarHBondContact CA-OG 3.47Å; D26-S29 PolarHBondContact O-N 2.87Å; D26-S29 PolarHBondContact O-OG 3.38Å; D26-S29 WeakPolarHBondContact OD1-CB 3.36Å; D26-S29 PolarHBondContact OD1-OG 2.89Å |
| 30 | N | 86.4 | Confident | 74.1 | Confident | 133 Ų | 133 | 81.7 Ų | 81.7 | 71% | 0.711 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.3 | -178 | -64.7 | -35.7 | 0 | 0 | 0 | 114.3 | C28 | C28-N30 PolarHBondContact O-N 2.81Š|
| 31 | C | 90.5 | Very high | 74.3 | Confident | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.02 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 127.7 | 178.9 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | C28 C45 G57 G58 | C28-C31 WeakPolarHBondContact O-CB 3.39Å; C28-C31 PolarHBondContact O-N 2.94Å; C31-C45 WeakPolarHBondContact CA-SG 3.2Å; C31-C45 HydrophobicContact CB-CB 3.81Å; C31-C45 WeakPolarHBondContact CB-SG 3.33Å; C31-C45 VanDerWaalsContact SG-CA 3.57Å; C31-C45 WeakPolarHBondContact SG-CB 3.48Å; C31-C45 CovalentContact SG-SG 2.04Å; C31-C45 PolarHBondContact SG-SG 3.24Å; C31-G57 CarbonylContact O-C 3.55Å; C31-G57 WeakPolarHBondContact O-CA 3.03Å; C31-G58 PolarHBondContact O-N 3.49Å |
| 32 | P | 94.2 | Very high | 74.9 | Confident | 79 Ų | 79 | 79.5 Ų | 79.5 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 166.6 | 178.9 | 31.4 | -35.8 | 0 | 0 | 0 | 111.8 | T35 | P32-T35 WeakPolarHBondContact CD-OG1 3.44Å; P32-T35 HydrophobicContact CG-CG2 4.17Å; P32-T35 PolarHBondContact O-N 3.49Å; P32-T35 PolarHBondContact O-OG1 2.04Å |
| 33 | A | 96.1 | Very high | 75.6 | Confident | 38 Ų | 38 | 77 Ų | 77 | 31% | 0.314 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 148.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T35 S54 T81 | A33-T35 VanDerWaalsContact C-N 3.26Å; A33-T35 PolarHBondContact O-N 3.24Å; A33-S54 WeakPolarHBondContact CB-O 3.4Å; A33-T81 HydrophobicContact CB-CG2 4.05Å |
| 34 | G | 96 | Very high | 77 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 5% | 0.052 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 9.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116 | C48 S54 S80 | G34-C48 VanDerWaalsContact C-SG 3.57Å; G34-C48 PolarHBondContact O-N 3.38Å; G34-C48 PolarHBondContact O-SG 3.36Å; G34-S54 PolarHBondContact N-O 2.8Å; G34-S80 WeakPolarHBondContact CA-O 3.5Å |
| 35 | T | 94.1 | Very high | 78.9 | Confident | 21 Ų | 21 | 74.3 Ų | 74.3 | 13% | 0.129 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 160.4 | 169.4 | 68.9 | 0 | 0 | 0 | 0 | 111 | P32 A33 C45 S46 | P32-T35 WeakPolarHBondContact CD-OG1 3.44Å; P32-T35 HydrophobicContact CG-CG2 4.17Å; P32-T35 PolarHBondContact O-N 3.49Å; P32-T35 PolarHBondContact O-OG1 2.04Å; A33-T35 VanDerWaalsContact C-N 3.26Å; A33-T35 PolarHBondContact O-N 3.24Å; T35-C45 HydrophobicContact CG2-CB 4.37Å; T35-S46 CarbonylContact C-O 3.47Å; T35-S46 WeakPolarHBondContact CA-O 3.04Å; T35-S46 VanDerWaalsContact CB-O 3.26Å; T35-S46 WeakPolarHBondContact CB-O 3.43Å |
| 36 | F | 92.3 | Very high | 80.7 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 24% | 0.237 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 161.5 | 172.1 | 75 | -76.9 | 0 | 0 | 0 | 111.4 | S46 P47 Q59 R60 | F36-S46 WeakPolarHBondContact CD1-O 3.45Å; F36-S46 PolarHBondContact N-O 3.09Å; F36-S46 PolarHBondContact O-N 3.46Å; F36-P47 WeakPolarHBondContact CE1-O 3.05Å; F36-Q59 VanDerWaalsContact CA-O 3.28Å; F36-Q59 WeakPolarHBondContact CA-O 3.43Å; F36-R60 WeakPolarHBondContact CD2-O 3.19Å |
| 37 | C | 88.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 39% | 0.385 | C | S | . | . | trans | -130.8 | 115.1 | -175 | 170.8 | 0 | 0 | 0 | 0 | 110.1 | C28 Q59 R60 | C28-C37 VanDerWaalsContact CA-SG 3.59Å; C28-C37 HydrophobicContact CB-CB 3.48Å; C28-C37 VanDerWaalsContact CB-CB 3.48Å; C28-C37 WeakPolarHBondContact CB-SG 3.19Å; C28-C37 WeakPolarHBondContact SG-CB 3.3Å; C28-C37 CovalentContact SG-SG 2.05Å; C28-C37 PolarHBondContact SG-SG 2.81Å; C37-Q59 PolarHBondContact N-O 3.2Å; C37-R60 VanDerWaalsContact O-CA 3.31Å; C37-R60 WeakPolarHBondContact O-CA 3.03Å | ||
| 38 | D | 80.3 | Confident | 83.6 | Confident | 76 Ų | 76 | 67.3 Ų | 67.3 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | trans | -82.9 | 142.8 | 179.9 | -177 | 12.9 | 0 | 0 | 0 | 111.3 | N40 R41 | D38-N40 PolarHBondContact O-N 2.78Å; D38-N40 VanDerWaalsContact O-N 3.09Å; D38-R41 CarbonylContact O-C 3.46Å; D38-R41 PolarHBondContact O-N 3.35Å | ||
| 39 | N | 68.6 | Low | 84.5 | Confident | 112 Ų | 112 | 70 Ų | 70 | 60% | 0.599 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.5 | -178.5 | -69.6 | -31.6 | 0 | 0 | 0 | 113.1 | R60 | N39-R60 PolarHBondContact OD1-NH1 3.39Š|
| 40 | N | 64.9 | Low | 85.3 | Confident | 146 Ų | 146 | 72.9 Ų | 72.9 | 78% | 0.781 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -10.8 | 179.3 | -79.7 | -20.2 | 0 | 0 | 0 | 114.1 | D38 | D38-N40 PolarHBondContact O-N 2.78Å; D38-N40 VanDerWaalsContact O-N 3.09Å |
| 41 | R | 58.4 | Low | 85.8 | Confident | 157 Ų | 157 | 72.3 Ų | 72.3 | 59% | 0.592 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -129.6 | 81.5 | 179.8 | -63.6 | -178.4 | -167.4 | -107.7 | 1.2 | 109.3 | D38 Q43 I44 | D38-R41 CarbonylContact O-C 3.46Å; D38-R41 PolarHBondContact O-N 3.35Å; R41-Q43 PolarHBondContact O-N 2.62Å; R41-I44 HydrophobicContact CB-CB 4.39Å; R41-I44 PolarHBondContact O-N 2.84Å |
| 42 | S | 60.6 | Low | 86.1 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 57% | 0.573 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | 103.4 | 169.7 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 43 | Q | 67.3 | Low | 86.3 | Confident | 130 Ų | 130 | 69.7 Ų | 69.7 | 61% | 0.607 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | 2.1 | 172.9 | -55.3 | -179 | -37.9 | 0 | 0 | 120.1 | L27 R41 C45 | L27-Q43 HydrophobicContact CD2-CG 4.39Å; R41-Q43 PolarHBondContact O-N 2.62Å; Q43-C45 PolarHBondContact O-N 3.35Å |
| 44 | I | 83.5 | Confident | 86.3 | Confident | 93 Ų | 93 | 67.9 Ų | 67.9 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | trans | -91.4 | 109.9 | 176.7 | -59.6 | 176.7 | 0 | 0 | 0 | 110.5 | R41 S46 | R41-I44 HydrophobicContact CB-CB 4.39Å; R41-I44 PolarHBondContact O-N 2.84Å; I44-S46 PolarHBondContact O-N 3.34Å | ||
| 45 | C | 90.4 | Very high | 86.4 | Confident | 47 Ų | 47 | 71.4 Ų | 71.4 | 32% | 0.318 | 40% | 0.4 | S | S | . | . | trans | -80.5 | 111.2 | 174.8 | -47.2 | 0 | 0 | 0 | 0 | 109.9 | C31 T35 Q43 | C31-C45 WeakPolarHBondContact CA-SG 3.2Å; C31-C45 HydrophobicContact CB-CB 3.81Å; C31-C45 WeakPolarHBondContact CB-SG 3.33Å; C31-C45 VanDerWaalsContact SG-CA 3.57Å; C31-C45 WeakPolarHBondContact SG-CB 3.48Å; C31-C45 CovalentContact SG-SG 2.04Å; C31-C45 PolarHBondContact SG-SG 3.24Å; T35-C45 HydrophobicContact CG2-CB 4.37Å; Q43-C45 PolarHBondContact O-N 3.35Å | ||
| 46 | S | 92.6 | Very high | 86.3 | Confident | 43 Ų | 43 | 72.7 Ų | 72.7 | 30% | 0.301 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 140.8 | 177.2 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | T35 F36 I44 | T35-S46 CarbonylContact C-O 3.47Å; T35-S46 WeakPolarHBondContact CA-O 3.04Å; T35-S46 VanDerWaalsContact CB-O 3.26Å; T35-S46 WeakPolarHBondContact CB-O 3.43Å; F36-S46 WeakPolarHBondContact CD1-O 3.45Å; F36-S46 PolarHBondContact N-O 3.09Å; F36-S46 PolarHBondContact O-N 3.46Å; I44-S46 PolarHBondContact O-N 3.34Å |
| 47 | P | 95.8 | Very high | 86.3 | Confident | 102 Ų | 102 | 72.2 Ų | 72.2 | 66% | 0.662 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 148 | 177.9 | 27.7 | -34.7 | 0 | 0 | 0 | 110.9 | F36 | F36-P47 WeakPolarHBondContact CE1-O 3.05Å |
| 48 | C | 96.8 | Very high | 86.3 | Confident | 18 Ų | 18 | 73.4 Ų | 73.4 | 12% | 0.122 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 134.6 | 174.5 | -71.8 | 0 | 0 | 0 | 0 | 111.4 | G34 S52 C62 | G34-C48 VanDerWaalsContact C-SG 3.57Å; G34-C48 PolarHBondContact O-N 3.38Å; G34-C48 PolarHBondContact O-SG 3.36Å; C48-S52 WeakPolarHBondContact CB-OG 3.05Å; C48-C62 WeakPolarHBondContact CA-SG 3.46Å; C48-C62 HydrophobicContact CB-CB 3.77Å; C48-C62 WeakPolarHBondContact CB-SG 3.48Å; C48-C62 WeakPolarHBondContact SG-CB 3.29Å; C48-C62 CovalentContact SG-SG 2.04Å; C48-C62 PolarHBondContact SG-SG 3.13Å |
| 49 | P | 96.4 | Very high | 86.8 | Confident | 70 Ų | 70 | 72.1 Ų | 72.1 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -64 | 164.7 | 176.2 | 25.3 | -33.1 | 0 | 0 | 0 | 112.1 | N51 S52 | P49-N51 PolarHBondContact O-N 3.11Å; P49-S52 WeakPolarHBondContact CD-OG 3.04Å; P49-S52 VanDerWaalsContact CG-OG 3.3Å; P49-S52 WeakPolarHBondContact CG-OG 3.37Å; P49-S52 PolarHBondContact O-N 3.47Å; P49-S52 VanDerWaalsContact O-N 3.14Å; P49-S52 PolarHBondContact O-OG 3.23Å |
| 50 | P | 97.1 | Very high | 87.7 | Confident | 121 Ų | 121 | 72 Ų | 72 | 79% | 0.786 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 141.8 | 177 | -25.6 | 34.5 | 0 | 0 | 0 | 112.4 | S52 | P50-S52 VanDerWaalsContact C-N 3.27Å; P50-S52 PolarHBondContact O-N 2.82Å |
| 51 | N | 96.4 | Very high | 89 | Confident | 122 Ų | 122 | 69.2 Ų | 69.2 | 65% | 0.652 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 30.1 | -174.9 | -53 | -54 | 0 | 0 | 0 | 114.5 | P49 C65 | P49-N51 PolarHBondContact O-N 3.11Å; N51-C65 WeakPolarHBondContact O-CB 3.47Å; N51-C65 PolarHBondContact O-N 2.03Å; N51-C65 PolarHBondContact O-SG 2.84Å; N51-C65 VanDerWaalsContact O-SG 3.41Å |
| 52 | S | 97.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 62.8 Ų | 62.8 | 8% | 0.077 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 160 | 169.9 | 73.1 | 0 | 0 | 0 | 0 | 112.1 | C48 P49 P50 C62 D63 C65 | C48-S52 WeakPolarHBondContact CB-OG 3.05Å; P49-S52 WeakPolarHBondContact CD-OG 3.04Å; P49-S52 VanDerWaalsContact CG-OG 3.3Å; P49-S52 WeakPolarHBondContact CG-OG 3.37Å; P49-S52 PolarHBondContact O-N 3.47Å; P49-S52 VanDerWaalsContact O-N 3.14Å; P49-S52 PolarHBondContact O-OG 3.23Å; P50-S52 VanDerWaalsContact C-N 3.27Å; P50-S52 PolarHBondContact O-N 2.82Å; S52-C62 WeakPolarHBondContact OG-CB 3.44Å; S52-D63 CarbonylContact C-O 3.57Å; S52-D63 WeakPolarHBondContact CA-O 3.23Å; S52-D63 VanDerWaalsContact CB-O 3.26Å; S52-D63 WeakPolarHBondContact CB-O 3.46Å; S52-C65 PolarHBondContact N-SG 2.9Å; S52-C65 VanDerWaalsContact N-SG 3.37Å |
| 53 | F | 98.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 62.3 Ų | 62.3 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 163 | -177.8 | 78.4 | -78.4 | 0 | 0 | 0 | 111.7 | C62 D63 S79 S80 N83 | F53-C62 CarbonylContact O-C 3.35Å; F53-C62 WeakPolarHBondContact O-CA 3.22Å; F53-C62 WeakPolarHBondContact O-CB 3.43Å; F53-D63 HydrophobicContact CD1-CB 4.07Å; F53-D63 WeakPolarHBondContact CD1-O 3.3Å; F53-D63 HydrophobicContact CE1-CB 3.54Å; F53-D63 HydrophobicContact CE2-CB 4.46Å; F53-D63 HydrophobicContact CZ-CB 3.74Å; F53-D63 PolarHBondContact N-O 3.48Å; F53-D63 PolarHBondContact O-N 2.84Å; F53-S79 WeakPolarHBondContact CB-O 3.35Å; F53-S80 CarbonylContact C-O 3.4Å; F53-S80 WeakPolarHBondContact CA-O 3.07Å; F53-S80 WeakPolarHBondContact CB-O 3Å; F53-N83 HydrophobicContact CD1-CB 4.07Å; F53-N83 HydrophobicContact CD2-CB 4.32Å; F53-N83 HydrophobicContact CE1-CB 3.53Å; F53-N83 WeakPolarHBondContact CE1-OD1 3.37Å; F53-N83 HydrophobicContact CE2-CB 3.81Å; F53-N83 HydrophobicContact CG-CB 4.45Å; F53-N83 HydrophobicContact CZ-CB 3.4Å; F53-N83 VanDerWaalsContact CZ-CB 3.4Å |
| 54 | S | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | trans | -140.9 | 111.6 | 169.2 | 173.9 | 0 | 0 | 0 | 0 | 108.6 | A33 G34 A56 Q59 S80 | A33-S54 WeakPolarHBondContact CB-O 3.4Å; G34-S54 PolarHBondContact N-O 2.8Å; S54-A56 PolarHBondContact OG-O 3.01Å; S54-Q59 WeakPolarHBondContact OG-CB 3.45Å; S54-Q59 VanDerWaalsContact OG-CG 3.25Å; S54-Q59 WeakPolarHBondContact OG-CG 3.5Å; S54-S80 PolarHBondContact N-O 2.66Å | ||
| 55 | S | 96.3 | Very high | 94.7 | Very high | 79 Ų | 79 | 58.7 Ų | 58.7 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -76.8 | -24 | -176.2 | 56 | 0 | 0 | 0 | 0 | 113.9 | T81 | S55-T81 WeakPolarHBondContact CA-O 3.26Š|
| 56 | A | 93.6 | Very high | 95 | Very high | 49 Ų | 49 | 59.4 Ų | 59.4 | 41% | 0.405 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -117.8 | 155.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S54 | S54-A56 PolarHBondContact OG-O 3.01Š|
| 57 | G | 91.4 | Very high | 95.2 | Very high | 43 Ų | 43 | 63 Ų | 63 | 44% | 0.443 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 164.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C31 Q59 | C31-G57 CarbonylContact O-C 3.55Å; C31-G57 WeakPolarHBondContact O-CA 3.03Å; G57-Q59 PolarHBondContact O-N 2.91Å |
| 58 | G | 88.8 | Confident | 95.3 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 26% | 0.258 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 16.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | C28 C31 | C28-G58 WeakPolarHBondContact O-CA 3.07Å; C31-G58 PolarHBondContact O-N 3.49Å |
| 59 | Q | 89.6 | Confident | 95.2 | Very high | 49 Ų | 49 | 65 Ų | 65 | 23% | 0.229 | 37% | 0.368 | C | S | . | . | trans | -70.3 | 140.3 | 174.8 | -71 | -119.2 | 52 | 0 | 0 | 111.5 | F36 C37 S54 G57 | F36-Q59 VanDerWaalsContact CA-O 3.28Å; F36-Q59 WeakPolarHBondContact CA-O 3.43Å; C37-Q59 PolarHBondContact N-O 3.2Å; S54-Q59 WeakPolarHBondContact OG-CB 3.45Å; S54-Q59 VanDerWaalsContact OG-CG 3.25Å; S54-Q59 WeakPolarHBondContact OG-CG 3.5Å; G57-Q59 PolarHBondContact O-N 2.91Å | ||
| 60 | R | 88.5 | Confident | 95.2 | Very high | 109 Ų | 109 | 65.3 Ų | 65.3 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -84.7 | -21.1 | 177 | -65.2 | -174.6 | 179.7 | -169.8 | -3.7 | 112.6 | F36 C37 N39 | F36-R60 WeakPolarHBondContact CD2-O 3.19Å; C37-R60 VanDerWaalsContact O-CA 3.31Å; C37-R60 WeakPolarHBondContact O-CA 3.03Å; N39-R60 PolarHBondContact OD1-NH1 3.39Å |
| 61 | T | 91.7 | Very high | 95.2 | Very high | 89 Ų | 89 | 62.1 Ų | 62.1 | 55% | 0.546 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -143.3 | 152.1 | -178.7 | 53.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 62 | C | 95.5 | Very high | 95.3 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 141.1 | 169.2 | -58.6 | 0 | 0 | 0 | 0 | 109.9 | C48 S52 F53 | C48-C62 WeakPolarHBondContact CA-SG 3.46Å; C48-C62 HydrophobicContact CB-CB 3.77Å; C48-C62 WeakPolarHBondContact CB-SG 3.48Å; C48-C62 WeakPolarHBondContact SG-CB 3.29Å; C48-C62 CovalentContact SG-SG 2.04Å; C48-C62 PolarHBondContact SG-SG 3.13Å; S52-C62 WeakPolarHBondContact OG-CB 3.44Å; F53-C62 CarbonylContact O-C 3.35Å; F53-C62 WeakPolarHBondContact O-CA 3.22Å; F53-C62 WeakPolarHBondContact O-CB 3.43Å |
| 63 | D | 97.4 | Very high | 95.3 | Very high | 71 Ų | 71 | 62 Ų | 62 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 142 | 173.5 | -66.2 | -45.4 | 0 | 0 | 0 | 109.8 | S52 F53 | S52-D63 CarbonylContact C-O 3.57Å; S52-D63 WeakPolarHBondContact CA-O 3.23Å; S52-D63 VanDerWaalsContact CB-O 3.26Å; S52-D63 WeakPolarHBondContact CB-O 3.46Å; F53-D63 HydrophobicContact CD1-CB 4.07Å; F53-D63 WeakPolarHBondContact CD1-O 3.3Å; F53-D63 HydrophobicContact CE1-CB 3.54Å; F53-D63 HydrophobicContact CE2-CB 4.46Å; F53-D63 HydrophobicContact CZ-CB 3.74Å; F53-D63 PolarHBondContact N-O 3.48Å; F53-D63 PolarHBondContact O-N 2.84Å |
| 64 | I | 98.1 | Very high | 95.2 | Very high | 135 Ų | 135 | 64 Ų | 64 | 69% | 0.692 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 135.3 | 178.7 | -59.1 | 175.6 | 0 | 0 | 0 | 108.9 | R66 | I64-R66 PolarHBondContact O-N 2.87Å |
| 65 | C | 98.1 | Very high | 95.2 | Very high | 12 Ų | 12 | 71.7 Ų | 71.7 | 8% | 0.081 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 132.8 | 175.3 | -65 | 0 | 0 | 0 | 0 | 110.9 | N51 S52 Q67 C78 N83 | N51-C65 WeakPolarHBondContact O-CB 3.47Å; N51-C65 PolarHBondContact O-N 2.03Å; N51-C65 PolarHBondContact O-SG 2.84Å; N51-C65 VanDerWaalsContact O-SG 3.41Å; S52-C65 PolarHBondContact N-SG 2.9Å; S52-C65 VanDerWaalsContact N-SG 3.37Å; C65-Q67 PolarHBondContact O-N 3.43Å; C65-C78 HydrophobicContact CB-CB 3.58Å; C65-C78 WeakPolarHBondContact CB-SG 3.43Å; C65-C78 WeakPolarHBondContact SG-CB 2.98Å; C65-C78 CovalentContact SG-SG 2.01Å; C65-C78 PolarHBondContact SG-SG 3.36Å; C65-N83 WeakPolarHBondContact CA-OD1 3.02Å |
| 66 | R | 97.4 | Very high | 95.3 | Very high | 63 Ų | 63 | 71.8 Ų | 71.8 | 24% | 0.238 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 138.3 | 168.3 | -178.1 | 177.1 | 177.2 | -175.8 | -4.8 | 109.7 | I64 N83 A84 C86 E98 C99 | I64-R66 PolarHBondContact O-N 2.87Å; R66-N83 PolarHBondContact N-OD1 2.85Å; R66-A84 VanDerWaalsContact O-CB 3.31Å; R66-A84 WeakPolarHBondContact O-CB 3.45Å; R66-C86 PolarHBondContact NE-SG 2.97Å; R66-E98 PolarHBondContact NH1-O 3.44Å; R66-C99 PolarHBondContact NH2-O 3.5Å |
| 67 | Q | 96.9 | Very high | 95.5 | Very high | 117 Ų | 117 | 76 Ų | 76 | 55% | 0.547 | 40% | 0.401 | S | S | . | . | trans | -104.1 | 121.4 | 174.8 | -62.1 | -176.5 | 16.3 | 0 | 0 | 109.8 | C65 K69 | C65-Q67 PolarHBondContact O-N 3.43Å; Q67-K69 HydrophobicContact CB-CD 4.41Å; Q67-K69 HydrophobicContact CB-CG 4.44Å; Q67-K69 PolarHBondContact O-N 3.33Å | ||
| 68 | C | 97.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 75.8 Ų | 75.8 | 14% | 0.142 | 39% | 0.392 | C | S | . | . | trans | -86.8 | 103.8 | 173.3 | -45.6 | 0 | 0 | 0 | 0 | 108.5 | F72 C86 | C68-F72 HydrophobicContact CB-CB 4.1Å; C68-C86 WeakPolarHBondContact CA-SG 3.47Å; C68-C86 HydrophobicContact CB-CB 3.87Å; C68-C86 WeakPolarHBondContact CB-SG 3.36Å; C68-C86 WeakPolarHBondContact SG-CA 3.43Å; C68-C86 WeakPolarHBondContact SG-CB 3.37Å; C68-C86 CovalentContact SG-SG 2.03Å; C68-C86 PolarHBondContact SG-SG 2.84Å | ||
| 69 | K | 96.1 | Very high | 96.2 | Very high | 143 Ų | 143 | 76.8 Ų | 76.8 | 62% | 0.622 | 40% | 0.395 | S | S | * | . | trans | -134.1 | 157.8 | -178.3 | -71.4 | 179.2 | 170.9 | 171.7 | 0 | 110.6 | Q67 V71 F72 | Q67-K69 HydrophobicContact CB-CD 4.41Å; Q67-K69 HydrophobicContact CB-CG 4.44Å; Q67-K69 PolarHBondContact O-N 3.33Å; K69-V71 PolarHBondContact O-N 3.39Å; K69-F72 PolarHBondContact O-N 3Å | ||
| 70 | G | 96.4 | Very high | 96.6 | Very high | 75 Ų | 75 | 77.3 Ų | 77.3 | 77% | 0.773 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | -117 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F72 | G70-F72 PolarHBondContact O-N 3.09Š|
| 71 | V | 96.9 | Very high | 97 | Very high | 54 Ų | 54 | 75.3 Ų | 75.3 | 33% | 0.327 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -8.3 | 178.7 | -63.8 | 0 | 0 | 0 | 0 | 113.7 | K69 I89 C102 | K69-V71 PolarHBondContact O-N 3.39Å; V71-I89 PolarHBondContact O-N 3.08Å; V71-C102 HydrophobicContact CB-CB 4.26Å; V71-C102 HydrophobicContact CG2-CB 3.86Å |
| 72 | F | 98.2 | Very high | 97.3 | Very high | 45 Ų | 45 | 72.3 Ų | 72.3 | 20% | 0.197 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 138.1 | 177 | -61.3 | -78.4 | 0 | 0 | 0 | 111.1 | C68 K69 G70 C86 D87 C99 S100 C102 | C68-F72 HydrophobicContact CB-CB 4.1Å; K69-F72 PolarHBondContact O-N 3Å; G70-F72 PolarHBondContact O-N 3.09Å; F72-C86 HydrophobicContact CB-CB 4.19Å; F72-C86 HydrophobicContact CD1-CB 4.19Å; F72-D87 CarbonylContact C-O 3.44Å; F72-D87 VanDerWaalsContact CA-O 3.24Å; F72-D87 WeakPolarHBondContact CA-O 3.36Å; F72-C99 VanDerWaalsContact CE1-O 3.23Å; F72-C99 WeakPolarHBondContact CE1-O 3.43Å; F72-S100 WeakPolarHBondContact CZ-O 3.11Å; F72-C102 WeakPolarHBondContact CD1-SG 3.13Å; F72-C102 HydrophobicContact CE1-CB 4.44Å; F72-C102 WeakPolarHBondContact CE1-SG 3.4Å |
| 73 | M | 97.3 | Very high | 97.4 | Very high | 85 Ų | 85 | 73.3 Ų | 73.3 | 42% | 0.419 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 147.5 | 169.7 | 67.3 | 174.4 | -161.6 | 0 | 0 | 110.6 | R75 C86 D87 I89 | M73-R75 PolarHBondContact O-N 3.44Å; M73-C86 CarbonylContact O-C 3.44Å; M73-C86 WeakPolarHBondContact O-CA 3.24Å; M73-D87 HydrophobicContact CE-CB 3.79Å; M73-D87 HydrophobicContact CG-CB 4.07Å; M73-D87 PolarHBondContact N-O 3.36Å; M73-D87 PolarHBondContact O-N 3.23Å; M73-I89 HydrophobicContact CB-CG2 4.34Å |
| 74 | T | 97.2 | Very high | 97.4 | Very high | 57 Ų | 57 | 70.3 Ų | 70.3 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 117.6 | 176.7 | -51.3 | 0 | 0 | 0 | 0 | 110 | K76 E77 | T74-K76 WeakPolarHBondContact CG2-O 3.48Å; T74-E77 HydrophobicContact CG2-CG 4.38Å; T74-E77 WeakPolarHBondContact CG2-OE1 3.09Å |
| 75 | R | 96.7 | Very high | 97.4 | Very high | 163 Ų | 163 | 67.1 Ų | 67.1 | 62% | 0.615 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -39.9 | 172.6 | -173.4 | -178.5 | 76.3 | 162.7 | 0.2 | 111.2 | M73 E85 D87 | M73-R75 PolarHBondContact O-N 3.44Å; R75-E85 WeakPolarHBondContact CA-O 3.46Å; R75-E85 WeakPolarHBondContact CB-O 3.02Å; R75-E85 IonicContact CZ-OE2 3.83Å; R75-E85 PolarHBondContact N-O 3.49Å; R75-E85 IonicContact NE-OE2 3.58Å; R75-E85 IonicContact NH2-OE2 2.64Å; R75-E85 PolarHBondContact NH2-OE2 2.81Å; R75-D87 HydrophobicContact CB-CB 4.13Å |
| 76 | K | 97.1 | Very high | 97.4 | Very high | 81 Ų | 81 | 66.9 Ų | 66.9 | 35% | 0.352 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 126.9 | 176.7 | -174.8 | -168.8 | 169.5 | -172 | 0 | 108.8 | T74 S82 A84 E85 | T74-K76 WeakPolarHBondContact CG2-O 3.48Å; K76-S82 WeakPolarHBondContact CE-OG 2.99Å; K76-S82 PolarHBondContact NZ-OG 3.43Å; K76-A84 VanDerWaalsContact O-CA 3.31Å; K76-A84 WeakPolarHBondContact O-CA 3.47Å; K76-E85 HydrophobicContact CB-CB 3.88Å; K76-E85 HydrophobicContact CB-CG 4.19Å; K76-E85 VanDerWaalsContact CD-CD 3.47Å; K76-E85 HydrophobicContact CD-CG 4.07Å; K76-E85 WeakPolarHBondContact CD-OE1 3.31Å; K76-E85 PolarHBondContact N-O 2.89Å; K76-E85 VanDerWaalsContact N-O 3.08Å; K76-E85 IonicContact NZ-OE1 3.04Å; K76-E85 PolarHBondContact NZ-OE1 3.4Å; K76-E85 PolarHBondContact O-N 2.77Å |
| 77 | E | 97.9 | Very high | 97.4 | Very high | 137 Ų | 137 | 66.5 Ų | 66.5 | 64% | 0.64 | 36% | 0.359 | S | S | * | . | trans | -65.6 | 150.9 | 176.4 | -64.1 | -59.4 | 156.4 | 0 | 0 | 111.6 | T74 | T74-E77 HydrophobicContact CG2-CG 4.38Å; T74-E77 WeakPolarHBondContact CG2-OE1 3.09Å | ||
| 78 | C | 97.9 | Very high | 97.4 | Very high | 38 Ų | 38 | 61.2 Ų | 61.2 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | trans | -68.5 | 143.8 | 174.1 | -159.7 | 0 | 0 | 0 | 0 | 110.9 | C65 S82 A84 | C65-C78 HydrophobicContact CB-CB 3.58Å; C65-C78 WeakPolarHBondContact CB-SG 3.43Å; C65-C78 WeakPolarHBondContact SG-CB 2.98Å; C65-C78 CovalentContact SG-SG 2.01Å; C65-C78 PolarHBondContact SG-SG 3.36Å; C78-S82 PolarHBondContact SG-O 2.03Å; C78-S82 VanDerWaalsContact SG-O 3.4Å; C78-A84 HydrophobicContact CB-CB 3.99Å | ||
| 79 | S | 98 | Very high | 97.4 | Very high | 47 Ų | 47 | 63.4 Ų | 63.4 | 33% | 0.329 | 34% | 0.344 | S | S | . | . | trans | -127.9 | 173.6 | 170.9 | 73.8 | 0 | 0 | 0 | 0 | 109.7 | F53 T81 S82 | F53-S79 WeakPolarHBondContact CB-O 3.35Å; S79-T81 PolarHBondContact O-N 3.08Å; S79-T81 VanDerWaalsContact O-N 3.16Å; S79-T81 PolarHBondContact OG-N 3.46Å; S79-T81 PolarHBondContact OG-OG1 2.74Å; S79-S82 PolarHBondContact N-O 3.2Å; S79-S82 PolarHBondContact O-N 3.28Å; S79-S82 VanDerWaalsContact O-O 3.08Å; S79-S82 PolarHBondContact OG-N 2.03Å; S79-S82 VanDerWaalsContact OG-N 3.11Å; S79-S82 PolarHBondContact OG-OG 3.31Å | ||
| 80 | S | 97.6 | Very high | 97.4 | Very high | 60 Ų | 60 | 62.5 Ų | 62.5 | 42% | 0.42 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -61 | -24.2 | 175.3 | 55.8 | 0 | 0 | 0 | 0 | 113 | G34 F53 S54 | G34-S80 WeakPolarHBondContact CA-O 3.5Å; F53-S80 CarbonylContact C-O 3.4Å; F53-S80 WeakPolarHBondContact CA-O 3.07Å; F53-S80 WeakPolarHBondContact CB-O 3Å; S54-S80 PolarHBondContact N-O 2.66Å |
| 81 | T | 97.6 | Very high | 97.3 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -109 | -8.3 | -175.6 | 56 | 0 | 0 | 0 | 0 | 114.4 | A33 S55 S79 | A33-T81 HydrophobicContact CB-CG2 4.05Å; S55-T81 WeakPolarHBondContact CA-O 3.26Å; S79-T81 PolarHBondContact O-N 3.08Å; S79-T81 VanDerWaalsContact O-N 3.16Å; S79-T81 PolarHBondContact OG-N 3.46Å; S79-T81 PolarHBondContact OG-OG1 2.74Å |
| 82 | S | 97.3 | Very high | 97.2 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 19% | 0.189 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -145.6 | 140.9 | -178.9 | 64.4 | 0 | 0 | 0 | 0 | 112 | K76 C78 S79 | K76-S82 WeakPolarHBondContact CE-OG 2.99Å; K76-S82 PolarHBondContact NZ-OG 3.43Å; C78-S82 PolarHBondContact SG-O 2.03Å; C78-S82 VanDerWaalsContact SG-O 3.4Å; S79-S82 PolarHBondContact N-O 3.2Å; S79-S82 PolarHBondContact O-N 3.28Å; S79-S82 VanDerWaalsContact O-O 3.08Å; S79-S82 PolarHBondContact OG-N 2.03Å; S79-S82 VanDerWaalsContact OG-N 3.11Å; S79-S82 PolarHBondContact OG-OG 3.31Å |
| 83 | N | 97.9 | Very high | 97 | Very high | 42 Ų | 42 | 60.8 Ų | 60.8 | 23% | 0.225 | 33% | 0.333 | C | S | . | . | trans | -61.8 | 158.7 | 174.7 | -153.1 | -5.1 | 0 | 0 | 0 | 111.3 | F53 C65 R66 | F53-N83 HydrophobicContact CD1-CB 4.07Å; F53-N83 HydrophobicContact CD2-CB 4.32Å; F53-N83 HydrophobicContact CE1-CB 3.53Å; F53-N83 WeakPolarHBondContact CE1-OD1 3.37Å; F53-N83 HydrophobicContact CE2-CB 3.81Å; F53-N83 HydrophobicContact CG-CB 4.45Å; F53-N83 HydrophobicContact CZ-CB 3.4Å; F53-N83 VanDerWaalsContact CZ-CB 3.4Å; C65-N83 WeakPolarHBondContact CA-OD1 3.02Å; R66-N83 PolarHBondContact N-OD1 2.85Å | ||
| 84 | A | 97.6 | Very high | 97 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | trans | -65.6 | 141.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110 | R66 K76 C78 | R66-A84 VanDerWaalsContact O-CB 3.31Å; R66-A84 WeakPolarHBondContact O-CB 3.45Å; K76-A84 VanDerWaalsContact O-CA 3.31Å; K76-A84 WeakPolarHBondContact O-CA 3.47Å; C78-A84 HydrophobicContact CB-CB 3.99Å | ||
| 85 | E | 97.6 | Very high | 96.9 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.5 | 174.2 | -58.4 | 168.1 | -155.2 | 0 | 0 | 108.4 | R75 K76 | R75-E85 WeakPolarHBondContact CA-O 3.46Å; R75-E85 WeakPolarHBondContact CB-O 3.02Å; R75-E85 IonicContact CZ-OE2 3.83Å; R75-E85 PolarHBondContact N-O 3.49Å; R75-E85 IonicContact NE-OE2 3.58Å; R75-E85 IonicContact NH2-OE2 2.64Å; R75-E85 PolarHBondContact NH2-OE2 2.81Å; K76-E85 HydrophobicContact CB-CB 3.88Å; K76-E85 HydrophobicContact CB-CG 4.19Å; K76-E85 VanDerWaalsContact CD-CD 3.47Å; K76-E85 HydrophobicContact CD-CG 4.07Å; K76-E85 WeakPolarHBondContact CD-OE1 3.31Å; K76-E85 PolarHBondContact N-O 2.89Å; K76-E85 VanDerWaalsContact N-O 3.08Å; K76-E85 IonicContact NZ-OE1 3.04Å; K76-E85 PolarHBondContact NZ-OE1 3.4Å; K76-E85 PolarHBondContact O-N 2.77Å |
| 86 | C | 98.1 | Very high | 96.7 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 5% | 0.054 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 150.3 | 179.8 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | R66 C68 F72 M73 | R66-C86 PolarHBondContact NE-SG 2.97Å; C68-C86 WeakPolarHBondContact CA-SG 3.47Å; C68-C86 HydrophobicContact CB-CB 3.87Å; C68-C86 WeakPolarHBondContact CB-SG 3.36Å; C68-C86 WeakPolarHBondContact SG-CA 3.43Å; C68-C86 WeakPolarHBondContact SG-CB 3.37Å; C68-C86 CovalentContact SG-SG 2.03Å; C68-C86 PolarHBondContact SG-SG 2.84Å; F72-C86 HydrophobicContact CB-CB 4.19Å; F72-C86 HydrophobicContact CD1-CB 4.19Å; M73-C86 CarbonylContact O-C 3.44Å; M73-C86 WeakPolarHBondContact O-CA 3.24Å |
| 87 | D | 97.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 173.8 | 167.7 | -160.1 | -5 | 0 | 0 | 0 | 108.9 | F72 M73 R75 C94 | F72-D87 CarbonylContact C-O 3.44Å; F72-D87 VanDerWaalsContact CA-O 3.24Å; F72-D87 WeakPolarHBondContact CA-O 3.36Å; M73-D87 HydrophobicContact CE-CB 3.79Å; M73-D87 HydrophobicContact CG-CB 4.07Å; M73-D87 PolarHBondContact N-O 3.36Å; M73-D87 PolarHBondContact O-N 3.23Å; R75-D87 HydrophobicContact CB-CB 4.13Å; D87-C94 PolarHBondContact OD1-SG 3.4Å |
| 88 | C | 97.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 148.9 | 176.5 | -61 | 0 | 0 | 0 | 0 | 111.7 | C102 | C88-C102 WeakPolarHBondContact CA-SG 3.1Å; C88-C102 HydrophobicContact CB-CB 3.89Å; C88-C102 WeakPolarHBondContact CB-SG 3Å; C88-C102 WeakPolarHBondContact SG-CA 3.47Å; C88-C102 WeakPolarHBondContact SG-CB 3.35Å; C88-C102 CovalentContact SG-SG 2.03Å; C88-C102 PolarHBondContact SG-SG 3.41Å |
| 89 | I | 97.3 | Very high | 96.3 | Very high | 66 Ų | 66 | 54.3 Ų | 54.3 | 34% | 0.338 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 160.9 | 170.8 | 61.7 | 174.2 | 0 | 0 | 0 | 111.6 | V71 M73 G91 Y92 | V71-I89 PolarHBondContact O-N 3.08Å; M73-I89 HydrophobicContact CB-CG2 4.34Å; I89-G91 PolarHBondContact O-N 2.77Å; I89-Y92 HydrophobicContact CD1-CD2 4.18Å; I89-Y92 HydrophobicContact CD1-CE2 4.13Å; I89-Y92 HydrophobicContact CG1-CD2 3.71Å; I89-Y92 HydrophobicContact CG1-CE2 4.17Å; I89-Y92 HydrophobicContact CG1-CG 4.47Å; I89-Y92 WeakPolarHBondContact O-CB 3.37Å; I89-Y92 PolarHBondContact O-N 2.66Å; I89-Y92 VanDerWaalsContact O-N 3.09Å |
| 90 | S | 95.5 | Very high | 96.2 | Very high | 124 Ų | 124 | 55.8 Ų | 55.8 | 87% | 0.867 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 132.3 | 177.5 | -63 | 0 | 0 | 0 | 0 | 112.7 | ||
| 91 | G | 93.7 | Very high | 96.1 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 6.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | I89 D105 | I89-G91 PolarHBondContact O-N 2.77Å; G91-D105 PolarHBondContact O-N 3Å |
| 92 | Y | 95.5 | Very high | 96 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 163.5 | 172.5 | -68.5 | -102.5 | 0 | 0 | 0 | 110.1 | I89 C102 E103 Q104 | I89-Y92 HydrophobicContact CD1-CD2 4.18Å; I89-Y92 HydrophobicContact CD1-CE2 4.13Å; I89-Y92 HydrophobicContact CG1-CD2 3.71Å; I89-Y92 HydrophobicContact CG1-CE2 4.17Å; I89-Y92 HydrophobicContact CG1-CG 4.47Å; I89-Y92 WeakPolarHBondContact O-CB 3.37Å; I89-Y92 PolarHBondContact O-N 2.66Å; I89-Y92 VanDerWaalsContact O-N 3.09Å; Y92-C102 HydrophobicContact CD1-CB 4.13Å; Y92-C102 HydrophobicContact CG-CB 4.47Å; Y92-E103 CarbonylContact C-O 3.47Å; Y92-E103 WeakPolarHBondContact CA-O 3.31Å; Y92-Q104 HydrophobicContact CD1-CB 4.08Å; Y92-Q104 HydrophobicContact CE1-CB 3.83Å; Y92-Q104 HydrophobicContact CE1-CG 4.22Å |
| 93 | H | 94.6 | Very high | 95.9 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 10% | 0.102 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150.8 | 175.7 | 72.3 | -91.8 | 0 | 0 | 0 | 112.9 | L95 C102 E103 D105 R130 | H93-L95 PolarHBondContact O-N 3.04Å; H93-C102 WeakPolarHBondContact O-CA 3.26Å; H93-E103 IonicContact CE1-OE2 3.49Å; H93-E103 PolarHBondContact CE1-OE2 2.04Å; H93-E103 VanDerWaalsContact CE1-OE2 3.24Å; H93-E103 PolarHBondContact N-O 2.84Å; H93-E103 PolarHBondContact ND1-O 2.86Å; H93-E103 IonicContact NE2-OE2 2.9Å; H93-E103 PolarHBondContact NE2-OE2 3.48Å; H93-E103 PolarHBondContact O-N 3.41Å; H93-D105 IonicContact CE1-OD1 2.84Å; H93-D105 IonicContact CG-OD1 3.24Å; H93-D105 IonicContact ND1-OD1 3.35Å; H93-D105 PolarHBondContact ND1-OD1 2.79Å; H93-R130 VanDerWaalsContact CG-CZ 3.48Å; H93-R130 VanDerWaalsContact CG-NE 3.32Å; H93-R130 PolarHBondContact ND1-NE 2.98Å |
| 94 | C | 96.5 | Very high | 95.8 | Very high | 51 Ų | 51 | 59.3 Ų | 59.3 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 130.9 | 178.5 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | D87 C99 | D87-C94 PolarHBondContact OD1-SG 3.4Å; C94-C99 VanDerWaalsContact CA-SG 3.53Å; C94-C99 HydrophobicContact CB-CB 3.6Å; C94-C99 WeakPolarHBondContact CB-SG 3.45Å; C94-C99 WeakPolarHBondContact SG-CB 3.3Å; C94-C99 CovalentContact SG-SG 2.03Å; C94-C99 PolarHBondContact SG-SG 3.37Å |
| 95 | L | 94.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 60.5 Ų | 60.5 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 134.1 | 172 | -153.5 | 150.3 | 0 | 0 | 0 | 108.8 | H93 M101 E103 | H93-L95 PolarHBondContact O-N 3.04Å; L95-M101 HydrophobicContact CB-CE 4.22Å; L95-M101 HydrophobicContact CD1-CE 4.36Å; L95-M101 HydrophobicContact CD2-CE 3.83Å; L95-M101 HydrophobicContact CG-CE 4.35Å; L95-M101 PolarHBondContact N-O 3Å; L95-M101 PolarHBondContact O-N 3.43Å; L95-M101 VanDerWaalsContact O-N 3.13Å; L95-E103 HydrophobicContact CB-CB 4.46Å; L95-E103 HydrophobicContact CD1-CB 4Å; L95-E103 HydrophobicContact CD1-CG 4.42Å; L95-E103 WeakPolarHBondContact CD1-OE2 3.17Å |
| 96 | G | 94.1 | Very high | 95.6 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 55% | 0.546 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 88.8 | 173.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C99 | G96-C99 PolarHBondContact O-N 3.14Š|
| 97 | A | 93.9 | Very high | 95.5 | Very high | 86 Ų | 86 | 64.6 Ų | 64.6 | 71% | 0.711 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -64.6 | 140.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | C99 S100 | A97-C99 PolarHBondContact O-N 2.64Å; A97-C99 VanDerWaalsContact O-N 3.08Å; A97-S100 PolarHBondContact O-N 3.41Å |
| 98 | E | 93.4 | Very high | 95.5 | Very high | 161 Ų | 161 | 67.1 Ų | 67.1 | 75% | 0.752 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | 52.8 | 28.3 | -178.7 | -57.5 | -176.6 | -176.7 | 0 | 0 | 114.1 | R66 S100 | R66-E98 PolarHBondContact NH1-O 3.44Å; E98-S100 PolarHBondContact O-N 2.01Å |
| 99 | C | 96.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 66.9 Ų | 66.9 | 7% | 0.068 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | 54.4 | 51.2 | -177.6 | -164.7 | 0 | 0 | 0 | 0 | 112.1 | R66 F72 C94 G96 A97 M101 | R66-C99 PolarHBondContact NH2-O 3.5Å; F72-C99 VanDerWaalsContact CE1-O 3.23Å; F72-C99 WeakPolarHBondContact CE1-O 3.43Å; C94-C99 VanDerWaalsContact CA-SG 3.53Å; C94-C99 HydrophobicContact CB-CB 3.6Å; C94-C99 WeakPolarHBondContact CB-SG 3.45Å; C94-C99 WeakPolarHBondContact SG-CB 3.3Å; C94-C99 CovalentContact SG-SG 2.03Å; C94-C99 PolarHBondContact SG-SG 3.37Å; G96-C99 PolarHBondContact O-N 3.14Å; A97-C99 PolarHBondContact O-N 2.64Å; A97-C99 VanDerWaalsContact O-N 3.08Å; C99-M101 PolarHBondContact O-N 3.35Å |
| 100 | S | 95.5 | Very high | 95.5 | Very high | 78 Ų | 78 | 65.5 Ų | 65.5 | 55% | 0.545 | 38% | 0.376 | S | S | . | . | trans | -67.9 | -23.6 | -179.7 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | F72 A97 E98 | F72-S100 WeakPolarHBondContact CZ-O 3.11Å; A97-S100 PolarHBondContact O-N 3.41Å; E98-S100 PolarHBondContact O-N 2.01Å | ||
| 101 | M | 95.6 | Very high | 95.5 | Very high | 98 Ų | 98 | 61.4 Ų | 61.4 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 148 | 178.2 | -169.5 | 168.5 | 65.6 | 0 | 0 | 111.4 | L95 C99 | L95-M101 HydrophobicContact CB-CE 4.22Å; L95-M101 HydrophobicContact CD1-CE 4.36Å; L95-M101 HydrophobicContact CD2-CE 3.83Å; L95-M101 HydrophobicContact CG-CE 4.35Å; L95-M101 PolarHBondContact N-O 3Å; L95-M101 PolarHBondContact O-N 3.43Å; L95-M101 VanDerWaalsContact O-N 3.13Å; C99-M101 PolarHBondContact O-N 3.35Å |
| 102 | C | 96 | Very high | 95.6 | Very high | 18 Ų | 18 | 62.1 Ų | 62.1 | 12% | 0.122 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120 | 170.7 | -70.3 | 0 | 0 | 0 | 0 | 110 | V71 F72 C88 Y92 H93 | V71-C102 HydrophobicContact CB-CB 4.26Å; V71-C102 HydrophobicContact CG2-CB 3.86Å; F72-C102 WeakPolarHBondContact CD1-SG 3.13Å; F72-C102 HydrophobicContact CE1-CB 4.44Å; F72-C102 WeakPolarHBondContact CE1-SG 3.4Å; C88-C102 WeakPolarHBondContact CA-SG 3.1Å; C88-C102 HydrophobicContact CB-CB 3.89Å; C88-C102 WeakPolarHBondContact CB-SG 3Å; C88-C102 WeakPolarHBondContact SG-CA 3.47Å; C88-C102 WeakPolarHBondContact SG-CB 3.35Å; C88-C102 CovalentContact SG-SG 2.03Å; C88-C102 PolarHBondContact SG-SG 3.41Å; Y92-C102 HydrophobicContact CD1-CB 4.13Å; Y92-C102 HydrophobicContact CG-CB 4.47Å; H93-C102 WeakPolarHBondContact O-CA 3.26Å |
| 103 | E | 94.6 | Very high | 95.5 | Very high | 68 Ų | 68 | 60.8 Ų | 60.8 | 32% | 0.318 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.2 | 175.7 | -176.3 | 169.9 | -103.4 | 0 | 0 | 110.1 | Y92 H93 L95 D105 L112 | Y92-E103 CarbonylContact C-O 3.47Å; Y92-E103 WeakPolarHBondContact CA-O 3.31Å; H93-E103 IonicContact CE1-OE2 3.49Å; H93-E103 PolarHBondContact CE1-OE2 2.04Å; H93-E103 VanDerWaalsContact CE1-OE2 3.24Å; H93-E103 PolarHBondContact N-O 2.84Å; H93-E103 PolarHBondContact ND1-O 2.86Å; H93-E103 IonicContact NE2-OE2 2.9Å; H93-E103 PolarHBondContact NE2-OE2 3.48Å; H93-E103 PolarHBondContact O-N 3.41Å; L95-E103 HydrophobicContact CB-CB 4.46Å; L95-E103 HydrophobicContact CD1-CB 4Å; L95-E103 HydrophobicContact CD1-CG 4.42Å; L95-E103 WeakPolarHBondContact CD1-OE2 3.17Å; E103-D105 PolarHBondContact O-N 2.81Å; E103-L112 HydrophobicContact CG-CD2 3.25Å; E103-L112 WeakPolarHBondContact OE1-CD2 3.25Å |
| 104 | Q | 95.3 | Very high | 95.3 | Very high | 84 Ų | 84 | 70.4 Ų | 70.4 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 130.9 | -176.5 | -170.5 | -174.7 | -58.7 | 0 | 0 | 110.7 | Y92 L112 C117 | Y92-Q104 HydrophobicContact CD1-CB 4.08Å; Y92-Q104 HydrophobicContact CE1-CB 3.83Å; Y92-Q104 HydrophobicContact CE1-CG 4.22Å; Q104-L112 HydrophobicContact CB-CD1 4.42Å; Q104-C117 PolarHBondContact NE2-SG 3.37Å |
| 105 | D | 95.4 | Very high | 95.1 | Very high | 33 Ų | 33 | 77.8 Ų | 77.8 | 18% | 0.176 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 138.1 | 168.7 | -72.8 | -31.4 | 0 | 0 | 0 | 109.9 | G91 H93 E103 R130 | G91-D105 PolarHBondContact O-N 3Å; H93-D105 IonicContact CE1-OD1 2.84Å; H93-D105 IonicContact CG-OD1 3.24Å; H93-D105 IonicContact ND1-OD1 3.35Å; H93-D105 PolarHBondContact ND1-OD1 2.79Å; E103-D105 PolarHBondContact O-N 2.81Å; D105-R130 WeakPolarHBondContact OD1-CG 3.31Å; D105-R130 IonicContact OD1-CZ 3.83Å; D105-R130 IonicContact OD1-NE 3.78Å; D105-R130 PolarHBondContact OD1-NE 3.48Å; D105-R130 IonicContact OD1-NH2 2.84Å; D105-R130 IonicContact OD2-NH2 3.54Å |
| 106 | C | 95.9 | Very high | 95 | Very high | 9 Ų | 9 | 75.7 Ų | 75.7 | 6% | 0.061 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 171.9 | 173.1 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | Q110 C117 K129 | C106-Q110 HydrophobicContact CB-CB 3.89Å; C106-C117 WeakPolarHBondContact CA-SG 3.44Å; C106-C117 HydrophobicContact CB-CB 3.85Å; C106-C117 WeakPolarHBondContact CB-SG 3.33Å; C106-C117 VanDerWaalsContact SG-CA 3.52Å; C106-C117 WeakPolarHBondContact SG-CB 3.38Å; C106-C117 CovalentContact SG-SG 2.04Å; C106-C117 PolarHBondContact SG-SG 2.82Å; C106-K129 PolarHBondContact N-O 2.96Å; C106-K129 VanDerWaalsContact O-CA 3.29Å; C106-K129 WeakPolarHBondContact O-CA 3.03Å; C106-K129 VanDerWaalsContact O-CB 3.22Å; C106-K129 WeakPolarHBondContact O-CB 3.46Å; C106-K129 WeakPolarHBondContact O-CG 3.38Å |
| 107 | K | 96.4 | Very high | 95.2 | Very high | 154 Ų | 154 | 75 Ų | 75 | 67% | 0.67 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 163 | 171.5 | -60.8 | 179.4 | -177.8 | 178.1 | 0 | 110 | Q110 | K107-Q110 HydrophobicContact CB-CG 4.24Å; K107-Q110 WeakPolarHBondContact O-CB 3.42Å; K107-Q110 PolarHBondContact O-N 3.11Å; K107-Q110 VanDerWaalsContact O-N 3.09Å |
| 108 | Q | 97.1 | Very high | 95.3 | Very high | 107 Ų | 107 | 75.5 Ų | 75.5 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 143.6 | 165.2 | -68.5 | 179.8 | -21.9 | 0 | 0 | 109.4 | Q110 D127 E153 | Q108-Q110 PolarHBondContact O-N 3.49Å; Q108-D127 WeakPolarHBondContact CG-O 3.07Å; Q108-D127 PolarHBondContact NE2-O 3.48Å; Q108-E153 HydrophobicContact CB-CB 4.12Å; Q108-E153 HydrophobicContact CB-CG 3.98Å |
| 109 | G | 97.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 71.4 Ų | 71.4 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 16.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | C120 N126 K152 | G109-C120 VanDerWaalsContact C-SG 3.52Å; G109-C120 PolarHBondContact O-N 3.49Å; G109-C120 PolarHBondContact O-SG 3.21Å; G109-C120 VanDerWaalsContact O-SG 3.41Å; G109-N126 PolarHBondContact N-O 3.4Å; G109-K152 WeakPolarHBondContact CA-O 2.97Å |
| 110 | Q | 97.9 | Very high | 95.6 | Very high | 36 Ų | 36 | 71.1 Ų | 71.1 | 17% | 0.168 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 156.7 | 170.2 | -55.4 | -171.2 | -48.2 | 0 | 0 | 110.8 | C106 K107 Q108 K118 D119 N126 | C106-Q110 HydrophobicContact CB-CB 3.89Å; K107-Q110 HydrophobicContact CB-CG 4.24Å; K107-Q110 WeakPolarHBondContact O-CB 3.42Å; K107-Q110 PolarHBondContact O-N 3.11Å; K107-Q110 VanDerWaalsContact O-N 3.09Å; Q108-Q110 PolarHBondContact O-N 3.49Å; Q110-K118 CarbonylContact C-O 3.39Å; Q110-K118 WeakPolarHBondContact CA-O 3.43Å; Q110-K118 WeakPolarHBondContact CB-O 3.02Å; Q110-D119 WeakPolarHBondContact CG-OD1 3.31Å; Q110-D119 PolarHBondContact NE2-OD1 3.33Å; Q110-N126 PolarHBondContact O-ND2 3.44Å |
| 111 | E | 96.3 | Very high | 95.7 | Very high | 39 Ų | 39 | 70.9 Ų | 70.9 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 151.5 | 169.1 | 63.1 | -178.1 | -174.5 | 0 | 0 | 110.2 | T113 C117 K118 C133 | E111-T113 HydrophobicContact CG-CG2 4.17Å; E111-C117 WeakPolarHBondContact O-CA 3.37Å; E111-K118 PolarHBondContact N-O 2.72Å; E111-K118 PolarHBondContact O-N 3.35Å; E111-C133 WeakPolarHBondContact OE2-CB 3.24Å; E111-C133 PolarHBondContact OE2-N 3.34Å |
| 112 | L | 95.7 | Very high | 95.8 | Very high | 55 Ų | 55 | 75.3 Ų | 75.3 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 126.3 | 175.1 | -170.8 | 69.2 | 0 | 0 | 0 | 109.9 | E103 Q104 | E103-L112 HydrophobicContact CG-CD2 3.25Å; E103-L112 WeakPolarHBondContact OE1-CD2 3.25Å; Q104-L112 HydrophobicContact CB-CD1 4.42Å |
| 113 | T | 93.3 | Very high | 95.8 | Very high | 48 Ų | 48 | 75.6 Ų | 75.6 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 171.9 | 174.8 | 75.4 | 0 | 0 | 0 | 0 | 110.7 | E111 K115 G116 K118 | E111-T113 HydrophobicContact CG-CG2 4.17Å; T113-K115 PolarHBondContact O-N 3.46Å; T113-K115 PolarHBondContact OG1-N 2.91Å; T113-G116 WeakPolarHBondContact CB-O 3.47Å; T113-G116 PolarHBondContact N-O 3.16Å; T113-G116 PolarHBondContact O-N 3.28Å; T113-G116 PolarHBondContact OG1-O 2.95Å; T113-K118 HydrophobicContact CG2-CB 3.68Å; T113-K118 HydrophobicContact CG2-CD 4.1Å |
| 114 | K | 90.9 | Very high | 96 | Very high | 224 Ų | 224 | 73.7 Ų | 73.7 | 97% | 0.974 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.4 | 173.7 | -64 | -175 | -179.9 | -178.7 | 0 | 113.8 | ||
| 115 | K | 92.6 | Very high | 96.1 | Very high | 206 Ų | 206 | 70.8 Ų | 70.8 | 90% | 0.896 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 8.8 | 178.2 | -62.9 | -174.6 | 179.2 | -177.9 | 0 | 112.9 | T113 | T113-K115 PolarHBondContact O-N 3.46Å; T113-K115 PolarHBondContact OG1-N 2.91Å |
| 116 | G | 92.2 | Very high | 96.2 | Very high | 21 Ų | 21 | 69.5 Ų | 69.5 | 22% | 0.216 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.4 | -166.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T113 K118 | T113-G116 WeakPolarHBondContact CB-O 3.47Å; T113-G116 PolarHBondContact N-O 3.16Å; T113-G116 PolarHBondContact O-N 3.28Å; T113-G116 PolarHBondContact OG1-O 2.95Å; G116-K118 PolarHBondContact O-N 2.82Å |
| 117 | C | 96.8 | Very high | 96.3 | Very high | 37 Ų | 37 | 72.9 Ų | 72.9 | 25% | 0.25 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 129.7 | -178.1 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | Q104 C106 E111 | Q104-C117 PolarHBondContact NE2-SG 3.37Å; C106-C117 WeakPolarHBondContact CA-SG 3.44Å; C106-C117 HydrophobicContact CB-CB 3.85Å; C106-C117 WeakPolarHBondContact CB-SG 3.33Å; C106-C117 VanDerWaalsContact SG-CA 3.52Å; C106-C117 WeakPolarHBondContact SG-CB 3.38Å; C106-C117 CovalentContact SG-SG 2.04Å; C106-C117 PolarHBondContact SG-SG 2.82Å; E111-C117 WeakPolarHBondContact O-CA 3.37Å |
| 118 | K | 96.7 | Very high | 96.2 | Very high | 98 Ų | 98 | 70.5 Ų | 70.5 | 43% | 0.426 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.1 | 177.5 | -176 | -167.1 | 166.5 | -161 | 0 | 109.1 | Q110 E111 T113 G116 | Q110-K118 CarbonylContact C-O 3.39Å; Q110-K118 WeakPolarHBondContact CA-O 3.43Å; Q110-K118 WeakPolarHBondContact CB-O 3.02Å; E111-K118 PolarHBondContact N-O 2.72Å; E111-K118 PolarHBondContact O-N 3.35Å; T113-K118 HydrophobicContact CG2-CB 3.68Å; T113-K118 HydrophobicContact CG2-CD 4.1Å; G116-K118 PolarHBondContact O-N 2.82Å |
| 119 | D | 97.9 | Very high | 96 | Very high | 75 Ų | 75 | 71.9 Ų | 71.9 | 40% | 0.401 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 142.8 | 172.3 | -77 | 15 | 0 | 0 | 0 | 112.3 | Q110 K152 | Q110-D119 WeakPolarHBondContact CG-OD1 3.31Å; Q110-D119 PolarHBondContact NE2-OD1 3.33Å; D119-K152 HydrophobicContact CB-CD 4.42Å; D119-K152 IonicContact OD2-NZ 2.89Å; D119-K152 PolarHBondContact OD2-NZ 3Å |
| 120 | C | 98 | Very high | 95.8 | Very high | 4 Ų | 4 | 78 Ų | 78 | 3% | 0.027 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 138.4 | 170.2 | -64.9 | 0 | 0 | 0 | 0 | 111 | G109 T124 C133 K152 | G109-C120 VanDerWaalsContact C-SG 3.52Å; G109-C120 PolarHBondContact O-N 3.49Å; G109-C120 PolarHBondContact O-SG 3.21Å; G109-C120 VanDerWaalsContact O-SG 3.41Å; C120-T124 WeakPolarHBondContact CB-OG1 3.41Å; C120-C133 WeakPolarHBondContact CA-SG 3.34Å; C120-C133 HydrophobicContact CB-CB 3.8Å; C120-C133 WeakPolarHBondContact CB-SG 3.41Å; C120-C133 WeakPolarHBondContact SG-CB 3.3Å; C120-C133 CovalentContact SG-SG 2.04Å; C120-C133 PolarHBondContact SG-SG 2.95Å; C120-K152 HydrophobicContact CB-CB 4.18Å; C120-K152 HydrophobicContact CB-CG 4.28Å; C120-K152 VanDerWaalsContact O-CE 3.25Å; C120-K152 WeakPolarHBondContact O-CE 3.12Å |
| 121 | C | 97.3 | Very high | 95.5 | Very high | 72 Ų | 72 | 78.1 Ų | 78.1 | 49% | 0.486 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 160 | 175.2 | -65.9 | 0 | 0 | 0 | 0 | 110.5 | G123 T124 | C121-G123 PolarHBondContact O-N 3.45Å; C121-T124 PolarHBondContact N-OG1 2.91Å; C121-T124 VanDerWaalsContact N-OG1 3.13Å; C121-T124 PolarHBondContact O-N 3.36Å; C121-T124 PolarHBondContact O-OG1 2.82Å |
| 122 | F | 97.4 | Very high | 95.5 | Very high | 192 Ų | 192 | 80.2 Ų | 80.2 | 84% | 0.842 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 138.5 | 174.2 | -175.9 | -92.8 | 0 | 0 | 0 | 110.7 | T124 W136 | F122-T124 VanDerWaalsContact C-N 3.32Å; F122-W136 HydrophobicContact CD2-CH2 4.02Å; F122-W136 HydrophobicContact CE1-CZ3 4.15Å; F122-W136 AromaticContact CE2-CH2 3.74Å; F122-W136 HydrophobicContact CE2-CH2 3.74Å; F122-W136 HydrophobicContact CE2-CZ3 4.05Å; F122-W136 HydrophobicContact CZ-CH2 4.03Å; F122-W136 AromaticContact CZ-CZ3 3.84Å; F122-W136 HydrophobicContact CZ-CZ3 3.84Å |
| 123 | G | 96.8 | Very high | 95.6 | Very high | 23 Ų | 23 | 78.7 Ų | 78.7 | 24% | 0.237 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 2.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C121 P135 W136 | C121-G123 PolarHBondContact O-N 3.45Å; G123-P135 CarbonylContact O-C 3.48Å; G123-P135 WeakPolarHBondContact O-CA 3.07Å; G123-W136 PolarHBondContact O-N 3.26Å |
| 124 | T | 98.3 | Very high | 95.8 | Very high | 29 Ų | 29 | 83.8 Ų | 83.8 | 18% | 0.178 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 156.7 | 177.4 | 67.6 | 0 | 0 | 0 | 0 | 112 | C120 C121 F122 R134 | C120-T124 WeakPolarHBondContact CB-OG1 3.41Å; C121-T124 PolarHBondContact N-OG1 2.91Å; C121-T124 VanDerWaalsContact N-OG1 3.13Å; C121-T124 PolarHBondContact O-N 3.36Å; C121-T124 PolarHBondContact O-OG1 2.82Å; F122-T124 VanDerWaalsContact C-N 3.32Å; T124-R134 CarbonylContact C-O 3.59Å; T124-R134 WeakPolarHBondContact CA-O 3.33Å; T124-R134 VanDerWaalsContact CB-O 3.26Å; T124-R134 WeakPolarHBondContact CB-O 3.08Å |
| 125 | F | 98.3 | Very high | 96.2 | Very high | 23 Ų | 23 | 77.8 Ų | 77.8 | 10% | 0.101 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 158.4 | 177.1 | 80.8 | -72.8 | 0 | 0 | 0 | 113 | D127 C133 R134 W136 T151 K152 D155 | F125-D127 HydrophobicContact CD2-CB 4.41Å; F125-D127 HydrophobicContact CE2-CB 4.33Å; F125-C133 WeakPolarHBondContact O-CA 3.17Å; F125-R134 WeakPolarHBondContact CD1-O 3.5Å; F125-R134 HydrophobicContact CE1-CB 4.39Å; F125-R134 PolarHBondContact N-O 3.49Å; F125-R134 PolarHBondContact O-N 3.43Å; F125-W136 AromaticContact CD1-CD1 3.69Å; F125-T151 WeakPolarHBondContact CB-O 3.46Å; F125-K152 CarbonylContact C-O 3.48Å; F125-K152 WeakPolarHBondContact CA-O 3.32Å; F125-K152 WeakPolarHBondContact CB-O 3.15Å; F125-D155 HydrophobicContact CD1-CB 4.09Å; F125-D155 HydrophobicContact CD2-CB 4.26Å; F125-D155 HydrophobicContact CE1-CB 3.6Å; F125-D155 HydrophobicContact CE2-CB 3.8Å; F125-D155 HydrophobicContact CG-CB 4.39Å; F125-D155 HydrophobicContact CZ-CB 3.44Å; F125-D155 VanDerWaalsContact CZ-CB 3.44Å |
| 126 | N | 98.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.027 | 37% | 0.366 | C | S | . | . | trans | -141.2 | 114.2 | 166.1 | -175.2 | 9.3 | 0 | 0 | 0 | 109.1 | G109 Q110 Q128 K152 | G109-N126 PolarHBondContact N-O 3.4Å; Q110-N126 PolarHBondContact O-ND2 3.44Å; N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact ND2-O 2.93Å; N126-Q128 PolarHBondContact OD1-N 3.32Å; N126-Q128 VanDerWaalsContact OD1-N 3.11Å; N126-Q128 PolarHBondContact OD1-O 3.26Å; N126-K152 PolarHBondContact N-O 3.44Å | ||
| 127 | D | 97.1 | Very high | 96.7 | Very high | 81 Ų | 81 | 73.1 Ų | 73.1 | 43% | 0.433 | 38% | 0.377 | S | S | . | . | trans | -84.9 | -6.4 | -178.9 | 62.1 | -17.4 | 0 | 0 | 0 | 113.3 | Q108 F125 E153 | Q108-D127 WeakPolarHBondContact CG-O 3.07Å; Q108-D127 PolarHBondContact NE2-O 3.48Å; F125-D127 HydrophobicContact CD2-CB 4.41Å; F125-D127 HydrophobicContact CE2-CB 4.33Å; D127-E153 VanDerWaalsContact CA-O 3.26Å; D127-E153 WeakPolarHBondContact CA-O 2.96Å; D127-E153 WeakPolarHBondContact CB-O 3.08Å | ||
| 128 | Q | 95.5 | Very high | 96.7 | Very high | 103 Ų | 103 | 75.6 Ų | 75.6 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -110.4 | 155.6 | -177.7 | -67.4 | 165.6 | 53.7 | 0 | 0 | 111.4 | N126 R130 | N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact ND2-O 2.93Å; N126-Q128 PolarHBondContact OD1-N 3.32Å; N126-Q128 VanDerWaalsContact OD1-N 3.11Å; N126-Q128 PolarHBondContact OD1-O 3.26Å; Q128-R130 WeakPolarHBondContact CB-O 3.4Å; Q128-R130 PolarHBondContact O-N 3.28Å; Q128-R130 PolarHBondContact OE1-O 2.96Å |
| 129 | K | 92.6 | Very high | 96.6 | Very high | 137 Ų | 137 | 71.1 Ų | 71.1 | 60% | 0.596 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -72.9 | -18.6 | 169.6 | -65.6 | -176.1 | -178.3 | 178.5 | 0 | 112.8 | C106 | C106-K129 PolarHBondContact N-O 2.96Å; C106-K129 VanDerWaalsContact O-CA 3.29Å; C106-K129 WeakPolarHBondContact O-CA 3.03Å; C106-K129 VanDerWaalsContact O-CB 3.22Å; C106-K129 WeakPolarHBondContact O-CB 3.46Å; C106-K129 WeakPolarHBondContact O-CG 3.38Å |
| 130 | R | 91.6 | Very high | 96.4 | Very high | 130 Ų | 130 | 72 Ų | 72 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -125.1 | 127.9 | 178.4 | -57.8 | -178.6 | -167.1 | 163.3 | 10.6 | 107.3 | H93 D105 Q128 | H93-R130 VanDerWaalsContact CG-CZ 3.48Å; H93-R130 VanDerWaalsContact CG-NE 3.32Å; H93-R130 PolarHBondContact ND1-NE 2.98Å; D105-R130 WeakPolarHBondContact OD1-CG 3.31Å; D105-R130 IonicContact OD1-CZ 3.83Å; D105-R130 IonicContact OD1-NE 3.78Å; D105-R130 PolarHBondContact OD1-NE 3.48Å; D105-R130 IonicContact OD1-NH2 2.84Å; D105-R130 IonicContact OD2-NH2 3.54Å; Q128-R130 WeakPolarHBondContact CB-O 3.4Å; Q128-R130 PolarHBondContact O-N 3.28Å; Q128-R130 PolarHBondContact OE1-O 2.96Å |
| 131 | G | 92.1 | Very high | 96.2 | Very high | 38 Ų | 38 | 78.6 Ų | 78.6 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 145.9 | -176.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 132 | V | 96.2 | Very high | 95.9 | Very high | 83 Ų | 83 | 80.4 Ų | 80.4 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | trans | -121.6 | 149.4 | 179.8 | -91.1 | 0 | 0 | 0 | 0 | 108.8 | R134 | V132-R134 WeakPolarHBondContact O-CG 3.42Å; V132-R134 PolarHBondContact O-N 3.47Å | ||
| 133 | C | 97.9 | Very high | 95.5 | Very high | 23 Ų | 23 | 74.2 Ų | 74.2 | 16% | 0.155 | 41% | 0.41 | C | S | . | . | trans | -67.2 | 123.6 | 178.4 | -62.8 | 0 | 0 | 0 | 0 | 109.8 | E111 C120 F125 | E111-C133 WeakPolarHBondContact OE2-CB 3.24Å; E111-C133 PolarHBondContact OE2-N 3.34Å; C120-C133 WeakPolarHBondContact CA-SG 3.34Å; C120-C133 HydrophobicContact CB-CB 3.8Å; C120-C133 WeakPolarHBondContact CB-SG 3.41Å; C120-C133 WeakPolarHBondContact SG-CB 3.3Å; C120-C133 CovalentContact SG-SG 2.04Å; C120-C133 PolarHBondContact SG-SG 2.95Å; F125-C133 WeakPolarHBondContact O-CA 3.17Å | ||
| 134 | R | 98 | Very high | 95.4 | Very high | 155 Ų | 155 | 77.3 Ų | 77.3 | 59% | 0.585 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147 | -179.3 | -58.4 | -175.9 | -174 | -152 | 0.4 | 110 | T124 F125 V132 | T124-R134 CarbonylContact C-O 3.59Å; T124-R134 WeakPolarHBondContact CA-O 3.33Å; T124-R134 VanDerWaalsContact CB-O 3.26Å; T124-R134 WeakPolarHBondContact CB-O 3.08Å; F125-R134 WeakPolarHBondContact CD1-O 3.5Å; F125-R134 HydrophobicContact CE1-CB 4.39Å; F125-R134 PolarHBondContact N-O 3.49Å; F125-R134 PolarHBondContact O-N 3.43Å; V132-R134 WeakPolarHBondContact O-CG 3.42Å; V132-R134 PolarHBondContact O-N 3.47Å |
| 135 | P | 98.1 | Very high | 95.2 | Very high | 99 Ų | 99 | 77.4 Ų | 77.4 | 64% | 0.643 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 148.5 | 176.6 | 27.4 | -34.2 | 0 | 0 | 0 | 111.3 | G123 | G123-P135 CarbonylContact O-C 3.48Å; G123-P135 WeakPolarHBondContact O-CA 3.07Å |
| 136 | W | 98.3 | Very high | 95.1 | Very high | 57 Ų | 57 | 79.7 Ų | 79.7 | 22% | 0.216 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 147.7 | 172.4 | -69.3 | -29.4 | 0 | 0 | 0 | 111.8 | F122 G123 F125 N138 G150 T151 D155 V156 | F122-W136 HydrophobicContact CD2-CH2 4.02Å; F122-W136 HydrophobicContact CE1-CZ3 4.15Å; F122-W136 AromaticContact CE2-CH2 3.74Å; F122-W136 HydrophobicContact CE2-CH2 3.74Å; F122-W136 HydrophobicContact CE2-CZ3 4.05Å; F122-W136 HydrophobicContact CZ-CH2 4.03Å; F122-W136 AromaticContact CZ-CZ3 3.84Å; F122-W136 HydrophobicContact CZ-CZ3 3.84Å; G123-W136 PolarHBondContact O-N 3.26Å; F125-W136 AromaticContact CD1-CD1 3.69Å; W136-N138 PolarHBondContact O-N 2.99Å; W136-G150 VanDerWaalsContact CZ2-C 3.42Å; W136-G150 WeakPolarHBondContact CZ2-O 3.49Å; W136-T151 PolarHBondContact NE1-O 3.35Å; W136-D155 WeakPolarHBondContact CA-OD1 2.93Å; W136-V156 HydrophobicContact CB-CB 4.47Å; W136-V156 HydrophobicContact CB-CG2 3.65Å; W136-V156 HydrophobicContact CD2-CG2 3.96Å; W136-V156 HydrophobicContact CE3-CG2 4.12Å; W136-V156 HydrophobicContact CG-CG2 3.76Å |
| 137 | T | 97.3 | Very high | 95 | Very high | 72 Ų | 72 | 84.5 Ų | 84.5 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 130 | 172.7 | -69.3 | 0 | 0 | 0 | 0 | 110.6 | C139 D155 | T137-C139 PolarHBondContact O-N 3.44Å; T137-D155 WeakPolarHBondContact CB-OD2 3.31Å; T137-D155 PolarHBondContact N-OD1 3.5Å; T137-D155 PolarHBondContact OG1-OD2 3.01Å |
| 138 | N | 96.7 | Very high | 95 | Very high | 89 Ų | 89 | 83.6 Ų | 83.6 | 48% | 0.476 | 46% | 0.457 | S | S | . | . | trans | -90.6 | 97.4 | 177 | -173.7 | -16.3 | 0 | 0 | 0 | 110.7 | W136 S140 L141 | W136-N138 PolarHBondContact O-N 2.99Å; N138-S140 PolarHBondContact O-N 3.07Å; N138-S140 WeakPolarHBondContact OD1-CB 3.29Å; N138-S140 PolarHBondContact OD1-N 2.88Å; N138-S140 VanDerWaalsContact OD1-N 3.14Å; N138-L141 HydrophobicContact CB-CD1 3.98Å; N138-L141 HydrophobicContact CB-CG 4.07Å; N138-L141 PolarHBondContact O-N 3.03Å | ||
| 139 | C | 95.6 | Very high | 95 | Very high | 3 Ų | 3 | 84.5 Ų | 84.5 | 2% | 0.02 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -61.9 | -27.7 | -178.1 | -55.7 | 0 | 0 | 0 | 0 | 114 | T137 L141 D142 K144 V146 V156 C158 | T137-C139 PolarHBondContact O-N 3.44Å; C139-L141 PolarHBondContact O-N 3.45Å; C139-D142 PolarHBondContact O-N 3.09Å; C139-K144 CarbonylContact C-O 3.38Å; C139-K144 HydrophobicContact CB-CB 4.16Å; C139-K144 PolarHBondContact O-N 3.45Å; C139-V146 HydrophobicContact CB-CG2 4.24Å; C139-V156 VanDerWaalsContact SG-CG1 3.53Å; C139-C158 WeakPolarHBondContact CA-SG 3.35Å; C139-C158 HydrophobicContact CB-CB 3.73Å; C139-C158 WeakPolarHBondContact CB-SG 3.31Å; C139-C158 WeakPolarHBondContact SG-CA 3.26Å; C139-C158 WeakPolarHBondContact SG-CB 3.18Å; C139-C158 CovalentContact SG-SG 2.04Å; C139-C158 PolarHBondContact SG-SG 2.92Å |
| 140 | S | 94.3 | Very high | 95.2 | Very high | 94 Ų | 94 | 78.4 Ų | 78.4 | 66% | 0.657 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -66.8 | -22.8 | -177.9 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | N138 D142 G143 | N138-S140 PolarHBondContact O-N 3.07Å; N138-S140 WeakPolarHBondContact OD1-CB 3.29Å; N138-S140 PolarHBondContact OD1-N 2.88Å; N138-S140 VanDerWaalsContact OD1-N 3.14Å; S140-D142 PolarHBondContact O-N 3.2Å; S140-G143 PolarHBondContact O-N 3.43Å |
| 141 | L | 93.6 | Very high | 95.5 | Very high | 143 Ų | 143 | 73.9 Ų | 73.9 | 75% | 0.749 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -64.1 | -30.9 | 175.9 | -65.5 | 178.3 | 0 | 0 | 0 | 112.6 | N138 C139 | N138-L141 HydrophobicContact CB-CD1 3.98Å; N138-L141 HydrophobicContact CB-CG 4.07Å; N138-L141 PolarHBondContact O-N 3.03Å; C139-L141 PolarHBondContact O-N 3.45Å |
| 142 | D | 90 | Very high | 95.8 | Very high | 109 Ų | 109 | 75.8 Ų | 75.8 | 58% | 0.583 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -97.4 | 8.5 | 179 | -75.6 | -6 | 0 | 0 | 0 | 112.7 | C139 S140 K144 | C139-D142 PolarHBondContact O-N 3.09Å; S140-D142 PolarHBondContact O-N 3.2Å; D142-K144 HydrophobicContact CB-CB 4.49Å; D142-K144 HydrophobicContact CB-CD 3.83Å; D142-K144 HydrophobicContact CB-CG 4Å; D142-K144 PolarHBondContact O-N 2.97Å; D142-K144 IonicContact OD2-NZ 3.85Å; D142-K144 PolarHBondContact OD2-NZ 3.48Å |
| 143 | G | 90.4 | Very high | 95.9 | Very high | 62 Ų | 62 | 75.8 Ų | 75.8 | 64% | 0.639 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 18.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S140 | S140-G143 PolarHBondContact O-N 3.43Š|
| 144 | K | 94.6 | Very high | 95.9 | Very high | 89 Ų | 89 | 81.5 Ų | 81.5 | 39% | 0.387 | 44% | 0.438 | S | S | . | . | trans | -94.4 | 157.3 | -179.9 | -68.4 | 169.9 | -168 | 154.2 | 0 | 111 | C139 D142 C158 G159 | C139-K144 CarbonylContact C-O 3.38Å; C139-K144 HydrophobicContact CB-CB 4.16Å; C139-K144 PolarHBondContact O-N 3.45Å; D142-K144 HydrophobicContact CB-CB 4.49Å; D142-K144 HydrophobicContact CB-CD 3.83Å; D142-K144 HydrophobicContact CB-CG 4Å; D142-K144 PolarHBondContact O-N 2.97Å; D142-K144 IonicContact OD2-NZ 3.85Å; D142-K144 PolarHBondContact OD2-NZ 3.48Å; K144-C158 HydrophobicContact CB-CB 4.06Å; K144-C158 HydrophobicContact CD-CB 3.95Å; K144-G159 WeakPolarHBondContact CA-O 3.42Å; K144-G159 VanDerWaalsContact CB-O 3.3Å; K144-G159 WeakPolarHBondContact CB-O 3.29Å | ||
| 145 | S | 93.9 | Very high | 95.9 | Very high | 31 Ų | 31 | 76.1 Ų | 76.1 | 22% | 0.217 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 156.1 | 170.8 | 72.7 | 0 | 0 | 0 | 0 | 110.9 | L147 C158 G159 P160 | S145-L147 PolarHBondContact O-N 2.92Å; S145-C158 WeakPolarHBondContact O-CA 3.14Å; S145-G159 PolarHBondContact N-O 3.43Å; S145-G159 PolarHBondContact O-N 2.99Å; S145-P160 PolarHBondContact OG-O 3.37Å |
| 146 | V | 95.9 | Very high | 95.9 | Very high | 71 Ų | 71 | 72.1 Ų | 72.1 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 114.6 | 172.5 | 175.4 | 0 | 0 | 0 | 0 | 108.6 | C139 N149 V156 | C139-V146 HydrophobicContact CB-CG2 4.24Å; V146-N149 WeakPolarHBondContact CG1-OD1 3.45Å; V146-V156 HydrophobicContact CB-CG1 4.23Å; V146-V156 HydrophobicContact CG1-CG1 3.64Å; V146-V156 HydrophobicContact CG2-CG1 3.83Å |
| 147 | L | 95.2 | Very high | 95.8 | Very high | 105 Ų | 105 | 73.1 Ų | 73.1 | 55% | 0.55 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -42.5 | 174.3 | -66.8 | -176.5 | 0 | 0 | 0 | 111.7 | S145 V157 | S145-L147 PolarHBondContact O-N 2.92Å; L147-V157 PolarHBondContact N-O 3.01Å |
| 148 | V | 96.6 | Very high | 95.8 | Very high | 62 Ų | 62 | 71.3 Ų | 71.3 | 38% | 0.376 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 125.9 | 178.4 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | V157 | V148-V157 HydrophobicContact CB-CB 3.95Å; V148-V157 HydrophobicContact CB-CG2 4.11Å; V148-V157 HydrophobicContact CG2-CB 4.24Å; V148-V157 HydrophobicContact CG2-CG2 4.5Å; V148-V157 PolarHBondContact N-O 3.31Å; V148-V157 PolarHBondContact O-N 3.39Å |
| 149 | N | 96.9 | Very high | 95.6 | Very high | 122 Ų | 122 | 67.3 Ų | 67.3 | 65% | 0.652 | 38% | 0.377 | S | S | * | . | trans | -64.2 | 142.4 | 175.9 | -87.2 | -19.2 | 0 | 0 | 0 | 111.6 | V146 | V146-N149 WeakPolarHBondContact CG1-OD1 3.45Š| ||
| 150 | G | 96.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 70.7 Ų | 70.7 | 9% | 0.093 | 40% | 0.398 | C | S | . | . | trans | -66.8 | 158.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | W136 R154 | W136-G150 VanDerWaalsContact CZ2-C 3.42Å; W136-G150 WeakPolarHBondContact CZ2-O 3.49Å; G150-R154 WeakPolarHBondContact CA-O 3.33Å | ||
| 151 | T | 98 | Very high | 94.6 | Very high | 36 Ų | 36 | 68 Ų | 68 | 22% | 0.221 | 38% | 0.379 | C | S | . | . | trans | -127 | -173.7 | 170.2 | 72 | 0 | 0 | 0 | 0 | 108.9 | F125 W136 E153 R154 | F125-T151 WeakPolarHBondContact CB-O 3.46Å; W136-T151 PolarHBondContact NE1-O 3.35Å; T151-E153 VanDerWaalsContact CB-OE2 3.27Å; T151-E153 WeakPolarHBondContact CB-OE2 3.34Å; T151-E153 PolarHBondContact O-N 3.02Å; T151-E153 PolarHBondContact OG1-N 2.84Å; T151-E153 PolarHBondContact OG1-OE2 3.5Å; T151-R154 HydrophobicContact CG2-CG 4.12Å; T151-R154 PolarHBondContact N-O 2.98Å; T151-R154 WeakPolarHBondContact OG1-CG 3.28Å; T151-R154 PolarHBondContact OG1-N 3.47Å | ||
| 152 | K | 98.1 | Very high | 93.4 | Very high | 78 Ų | 78 | 65.8 Ų | 65.8 | 34% | 0.339 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -66.5 | -25.5 | 172.7 | -64.3 | -179.9 | 178.7 | 176.3 | 0 | 111 | G109 D119 C120 F125 N126 | G109-K152 WeakPolarHBondContact CA-O 2.97Å; D119-K152 HydrophobicContact CB-CD 4.42Å; D119-K152 IonicContact OD2-NZ 2.89Å; D119-K152 PolarHBondContact OD2-NZ 3Å; C120-K152 HydrophobicContact CB-CB 4.18Å; C120-K152 HydrophobicContact CB-CG 4.28Å; C120-K152 VanDerWaalsContact O-CE 3.25Å; C120-K152 WeakPolarHBondContact O-CE 3.12Å; F125-K152 CarbonylContact C-O 3.48Å; F125-K152 WeakPolarHBondContact CA-O 3.32Å; F125-K152 WeakPolarHBondContact CB-O 3.15Å; N126-K152 PolarHBondContact N-O 3.44Å |
| 153 | E | 98 | Very high | 92 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -99.4 | -19.2 | -173.5 | -50.7 | 74.9 | -159.2 | 0 | 0 | 113.6 | Q108 D127 T151 | Q108-E153 HydrophobicContact CB-CB 4.12Å; Q108-E153 HydrophobicContact CB-CG 3.98Å; D127-E153 VanDerWaalsContact CA-O 3.26Å; D127-E153 WeakPolarHBondContact CA-O 2.96Å; D127-E153 WeakPolarHBondContact CB-O 3.08Å; T151-E153 VanDerWaalsContact CB-OE2 3.27Å; T151-E153 WeakPolarHBondContact CB-OE2 3.34Å; T151-E153 PolarHBondContact O-N 3.02Å; T151-E153 PolarHBondContact OG1-N 2.84Å; T151-E153 PolarHBondContact OG1-OE2 3.5Å |
| 154 | R | 97.6 | Very high | 90.4 | Very high | 143 Ų | 143 | 66.9 Ų | 66.9 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -140.4 | 148.7 | -175.4 | 49.3 | 168.7 | -175.5 | -175.1 | 6.3 | 111.8 | G150 T151 | G150-R154 WeakPolarHBondContact CA-O 3.33Å; T151-R154 HydrophobicContact CG2-CG 4.12Å; T151-R154 PolarHBondContact N-O 2.98Å; T151-R154 WeakPolarHBondContact OG1-CG 3.28Å; T151-R154 PolarHBondContact OG1-N 3.47Å |
| 155 | D | 98.3 | Very high | 88.6 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 23% | 0.225 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 165 | 175.7 | -153.2 | -1.5 | 0 | 0 | 0 | 112.4 | F125 W136 T137 | F125-D155 HydrophobicContact CD1-CB 4.09Å; F125-D155 HydrophobicContact CD2-CB 4.26Å; F125-D155 HydrophobicContact CE1-CB 3.6Å; F125-D155 HydrophobicContact CE2-CB 3.8Å; F125-D155 HydrophobicContact CG-CB 4.39Å; F125-D155 HydrophobicContact CZ-CB 3.44Å; F125-D155 VanDerWaalsContact CZ-CB 3.44Å; W136-D155 WeakPolarHBondContact CA-OD1 2.93Å; T137-D155 WeakPolarHBondContact CB-OD2 3.31Å; T137-D155 PolarHBondContact N-OD1 3.5Å; T137-D155 PolarHBondContact OG1-OD2 3.01Å |
| 156 | V | 97.7 | Very high | 86.5 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 10% | 0.097 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -64 | 137.1 | 166.6 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | W136 C139 V146 | W136-V156 HydrophobicContact CB-CB 4.47Å; W136-V156 HydrophobicContact CB-CG2 3.65Å; W136-V156 HydrophobicContact CD2-CG2 3.96Å; W136-V156 HydrophobicContact CE3-CG2 4.12Å; W136-V156 HydrophobicContact CG-CG2 3.76Å; C139-V156 VanDerWaalsContact SG-CG1 3.53Å; V146-V156 HydrophobicContact CB-CG1 4.23Å; V146-V156 HydrophobicContact CG1-CG1 3.64Å; V146-V156 HydrophobicContact CG2-CG1 3.83Å |
| 157 | V | 97.2 | Very high | 84.6 | Confident | 77 Ų | 77 | 74.4 Ų | 74.4 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.7 | 172.2 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | L147 V148 | L147-V157 PolarHBondContact N-O 3.01Å; V148-V157 HydrophobicContact CB-CB 3.95Å; V148-V157 HydrophobicContact CB-CG2 4.11Å; V148-V157 HydrophobicContact CG2-CB 4.24Å; V148-V157 HydrophobicContact CG2-CG2 4.5Å; V148-V157 PolarHBondContact N-O 3.31Å; V148-V157 PolarHBondContact O-N 3.39Å |
| 158 | C | 96.4 | Very high | 82.3 | Confident | 35 Ų | 35 | 72.7 Ų | 72.7 | 24% | 0.236 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 152.4 | 178.2 | -53.6 | 0 | 0 | 0 | 0 | 112 | C139 K144 S145 | C139-C158 WeakPolarHBondContact CA-SG 3.35Å; C139-C158 HydrophobicContact CB-CB 3.73Å; C139-C158 WeakPolarHBondContact CB-SG 3.31Å; C139-C158 WeakPolarHBondContact SG-CA 3.26Å; C139-C158 WeakPolarHBondContact SG-CB 3.18Å; C139-C158 CovalentContact SG-SG 2.04Å; C139-C158 PolarHBondContact SG-SG 2.92Å; K144-C158 HydrophobicContact CB-CB 4.06Å; K144-C158 HydrophobicContact CD-CB 3.95Å; S145-C158 WeakPolarHBondContact O-CA 3.14Å |
| 159 | G | 93.1 | Very high | 80 | Confident | 5 Ų | 5 | 74.4 Ų | 74.4 | 5% | 0.052 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K144 S145 | K144-G159 WeakPolarHBondContact CA-O 3.42Å; K144-G159 VanDerWaalsContact CB-O 3.3Å; K144-G159 WeakPolarHBondContact CB-O 3.29Å; S145-G159 PolarHBondContact N-O 3.43Å; S145-G159 PolarHBondContact O-N 2.99Å |
| 160 | P | 90 | Very high | 77.4 | Confident | 73 Ų | 73 | 74.4 Ų | 74.4 | 47% | 0.474 | 47% | 0.467 | S | S | . | . | trans | -57.6 | 148.9 | -178.8 | 22.6 | -30.8 | 0 | 0 | 0 | 110.9 | S145 | S145-P160 PolarHBondContact OG-O 3.37Š| ||
| 161 | S | 79.1 | Confident | 75.1 | Confident | 37 Ų | 37 | 79.7 Ų | 79.7 | 26% | 0.259 | 50% | 0.502 | S | S | . | . | trans | -64.9 | 142.3 | 177.9 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | A163 D164 | S161-A163 PolarHBondContact O-N 3.25Å; S161-A163 PolarHBondContact OG-N 2.05Å; S161-D164 WeakPolarHBondContact CB-OD2 3.49Å; S161-D164 PolarHBondContact N-OD2 2.84Å; S161-D164 PolarHBondContact O-N 3.09Å | ||
| 162 | P | 67.1 | Low | 72.2 | Confident | 97 Ų | 97 | 82.6 Ų | 82.6 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -21.2 | 169.7 | -25.4 | 33.8 | 0 | 0 | 0 | 113.5 | ||
| 163 | A | 61.2 | Low | 69.5 | Low | 75 Ų | 75 | 85 Ų | 85 | 62% | 0.62 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -26.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S161 | S161-A163 PolarHBondContact O-N 3.25Å; S161-A163 PolarHBondContact OG-N 2.05Å |
| 164 | D | 57.4 | Low | 67.1 | Low | 119 Ų | 119 | 86.6 Ų | 86.6 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -13.5 | 178.4 | -58.1 | -42.1 | 0 | 0 | 0 | 112.5 | S161 S166 | S161-D164 WeakPolarHBondContact CB-OD2 3.49Å; S161-D164 PolarHBondContact N-OD2 2.84Å; S161-D164 PolarHBondContact O-N 3.09Å; D164-S166 VanDerWaalsContact C-N 3.3Å |
| 165 | L | 56.2 | Low | 64.5 | Low | 127 Ų | 127 | 85.5 Ų | 85.5 | 67% | 0.665 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 6.9 | 178.7 | -65.8 | 174.1 | 0 | 0 | 0 | 113.1 | P167 | L165-P167 WeakPolarHBondContact O-CD 3.4Š|
| 166 | S | 48.9 | Very low | 61.9 | Low | 92 Ų | 92 | 88.2 Ų | 88.2 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -72.6 | 122.8 | 171.9 | -151.4 | 0 | 0 | 0 | 0 | 109.3 | D164 G168 | D164-S166 VanDerWaalsContact C-N 3.3Å; S166-G168 PolarHBondContact O-N 3.03Å |
| 167 | P | 57.4 | Low | 59.4 | Low | 130 Ų | 130 | 93.3 Ų | 93.3 | 84% | 0.844 | 64% | 0.642 | S | S | * | * | trans | -76 | 77.9 | 177.8 | 30.1 | -30.3 | 0 | 0 | 0 | 109.5 | L165 A169 | L165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-A169 PolarHBondContact O-N 3.02Å | ||
| 168 | G | 45.4 | Very low | 56.5 | Low | 69 Ų | 69 | 94.3 Ų | 94.3 | 71% | 0.711 | 66% | 0.658 | S | S | * | * | trans | -84.2 | 102.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S166 S170 | S166-G168 PolarHBondContact O-N 3.03Å; G168-S170 PolarHBondContact O-N 2.9Å | ||
| 169 | A | 50.1 | Low | 53.9 | Low | 98 Ų | 98 | 104.7 Ų | 104.7 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | trans | -53.8 | 126.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P167 | P167-A169 PolarHBondContact O-N 3.02Š| ||
| 170 | S | 42.3 | Very low | 51.3 | Low | 123 Ų | 123 | 113 Ų | 113 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -155.4 | 100.8 | 146.2 | -81.6 | 0 | 0 | 0 | 0 | 109.5 | G168 | G168-S170 PolarHBondContact O-N 2.9Š| ||
| 171 | S | 47.3 | Very low | 49.4 | Very low | 119 Ų | 119 | 115.2 Ų | 115.2 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -62.2 | 130.7 | 157.9 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 172 | A | 37.7 | Very low | 47.9 | Very low | 98 Ų | 98 | 116.8 Ų | 116.8 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -156.7 | 114.5 | 146.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 173 | T | 41.8 | Very low | 47.4 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -32.8 | 140.5 | 168.3 | -43.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 174 | P | 47.4 | Very low | 47.5 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 132.1 | 163.6 | 30 | -28.3 | 0 | 0 | 0 | 111 | ||
| 175 | P | 41.9 | Very low | 47.6 | Very low | 119 Ų | 119 | 118 Ų | 118 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 133.9 | 165.7 | 30.6 | -27.1 | 0 | 0 | 0 | 110 | ||
| 176 | A | 45.2 | Very low | 48 | Very low | 100 Ų | 100 | 118.3 Ų | 118.3 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 143.3 | 164 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 177 | P | 44.3 | Very low | 48.7 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | trans | -121.3 | 131.5 | 150 | 22.2 | -4.1 | 0 | 0 | 0 | 112.5 | ||||
| 178 | A | 35.5 | Very low | 49.3 | Very low | 98 Ų | 98 | 117 Ų | 117 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | 25.6 | 124.9 | 143.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 179 | R | 42.8 | Very low | 50.6 | Low | 254 Ų | 254 | 120.1 Ų | 120.1 | 96% | 0.958 | 73% | 0.731 | S | S | * | * | trans | -66.9 | 127.6 | 157.6 | -73.5 | -179.7 | 172.1 | 137.1 | -2.2 | 110.3 | ||||
| 180 | E | 38.9 | Very low | 51.9 | Low | 178 Ų | 178 | 121.4 Ų | 121.4 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | trans | -127.1 | 144.2 | 156 | -97.8 | -91.5 | 138.3 | 0 | 0 | 107.2 | G182 | E180-G182 PolarHBondContact O-N 2.84Š| ||
| 181 | P | 49.9 | Very low | 53.6 | Low | 121 Ų | 121 | 120.9 Ų | 120.9 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | trans | -82.4 | 85.2 | -164.6 | 32.3 | -32.5 | 0 | 0 | 0 | 112.2 | ||||
| 182 | G | 47.8 | Very low | 55.3 | Low | 69 Ų | 69 | 117.8 Ų | 117.8 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 129.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | E180 S184 | E180-G182 PolarHBondContact O-N 2.84Å; G182-S184 PolarHBondContact O-N 3.29Å |
| 183 | H | 56.8 | Low | 57.7 | Low | 155 Ų | 155 | 117.1 Ų | 117.1 | 72% | 0.718 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 131.1 | -177.4 | -81.6 | 61.5 | 0 | 0 | 0 | 113 | ||
| 184 | S | 62.1 | Low | 59.8 | Low | 53 Ų | 53 | 114.9 Ų | 114.9 | 37% | 0.371 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -46 | 128.9 | -177.5 | 179.4 | 0 | 0 | 0 | 0 | 112.7 | G182 Q186 I187 | G182-S184 PolarHBondContact O-N 3.29Å; S184-Q186 PolarHBondContact O-N 3.47Å; S184-I187 PolarHBondContact O-N 3.45Å |
| 185 | P | 59.8 | Low | 61.8 | Low | 108 Ų | 108 | 112.4 Ų | 112.4 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.5 | -16.2 | -178.9 | 23.5 | -33.1 | 0 | 0 | 0 | 113.5 | F189 | P185-F189 PolarHBondContact O-N 2.7Å |
| 186 | Q | 64.3 | Low | 64.2 | Low | 134 Ų | 134 | 109.8 Ų | 109.8 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68 | -38.1 | 172.3 | -64.1 | -169.2 | -6 | 0 | 0 | 112.1 | S184 I188 F189 F190 | S184-Q186 PolarHBondContact O-N 3.47Å; Q186-I188 PolarHBondContact O-N 3.41Å; Q186-F189 PolarHBondContact O-N 3.43Å; Q186-F190 HydrophobicContact CB-CD2 4.39Å; Q186-F190 HydrophobicContact CB-CE2 4.19Å; Q186-F190 WeakPolarHBondContact O-CD2 3.46Å; Q186-F190 PolarHBondContact O-N 2.97Å |
| 187 | I | 63.8 | Low | 66.4 | Low | 83 Ų | 83 | 108.7 Ų | 108.7 | 43% | 0.426 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.9 | -40.7 | -176.3 | -60.8 | 174.2 | 0 | 0 | 0 | 110.8 | S184 F189 F190 L191 | S184-I187 PolarHBondContact O-N 3.45Å; I187-F189 VanDerWaalsContact C-N 3.33Å; I187-F189 PolarHBondContact O-N 3.2Å; I187-F190 PolarHBondContact O-N 3.3Å; I187-L191 HydrophobicContact CG2-CD1 4Å; I187-L191 HydrophobicContact CG2-CG 4.47Å; I187-L191 WeakPolarHBondContact O-CB 3.27Å; I187-L191 WeakPolarHBondContact O-CG 3.38Å; I187-L191 PolarHBondContact O-N 3Å |
| 188 | I | 69.4 | Low | 68.8 | Low | 112 Ų | 112 | 106.7 Ų | 106.7 | 57% | 0.574 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.1 | -40.8 | 177.3 | -60.3 | 174.7 | 0 | 0 | 0 | 110.4 | Q186 L191 A192 | Q186-I188 PolarHBondContact O-N 3.41Å; I188-L191 PolarHBondContact O-N 3.39Å; I188-A192 WeakPolarHBondContact O-CB 3.17Å; I188-A192 PolarHBondContact O-N 2.93Å |
| 189 | F | 74.4 | Confident | 71.6 | Confident | 135 Ų | 135 | 107.1 Ų | 107.1 | 59% | 0.592 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.3 | -43.6 | 177.4 | -173.7 | -98.8 | 0 | 0 | 0 | 112.4 | P185 Q186 I187 A192 L193 | P185-F189 PolarHBondContact O-N 2.7Å; Q186-F189 PolarHBondContact O-N 3.43Å; I187-F189 VanDerWaalsContact C-N 3.33Å; I187-F189 PolarHBondContact O-N 3.2Å; F189-A192 PolarHBondContact O-N 3.43Å; F189-L193 WeakPolarHBondContact O-CB 3.26Å; F189-L193 PolarHBondContact O-N 2.9Å |
| 190 | F | 77 | Confident | 74 | Confident | 125 Ų | 125 | 101 Ų | 101 | 55% | 0.548 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -38.1 | 176.5 | -74.9 | -65.1 | 0 | 0 | 0 | 112.7 | Q186 I187 L193 T194 | Q186-F190 HydrophobicContact CB-CD2 4.39Å; Q186-F190 HydrophobicContact CB-CE2 4.19Å; Q186-F190 WeakPolarHBondContact O-CD2 3.46Å; Q186-F190 PolarHBondContact O-N 2.97Å; I187-F190 PolarHBondContact O-N 3.3Å; F190-L193 PolarHBondContact O-N 3.42Å; F190-T194 WeakPolarHBondContact O-CB 3.38Å; F190-T194 VanDerWaalsContact O-CG2 3.29Å; F190-T194 WeakPolarHBondContact O-CG2 3.25Å; F190-T194 PolarHBondContact O-N 2.84Å; F190-T194 PolarHBondContact O-OG1 3.3Å |
| 191 | L | 77.9 | Confident | 76.6 | Confident | 112 Ų | 112 | 97.5 Ų | 97.5 | 59% | 0.586 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.6 | -38.8 | 175.4 | -71.6 | 172.3 | 0 | 0 | 0 | 112.4 | I187 I188 T194 S195 | I187-L191 HydrophobicContact CG2-CD1 4Å; I187-L191 HydrophobicContact CG2-CG 4.47Å; I187-L191 WeakPolarHBondContact O-CB 3.27Å; I187-L191 WeakPolarHBondContact O-CG 3.38Å; I187-L191 PolarHBondContact O-N 3Å; I188-L191 PolarHBondContact O-N 3.39Å; L191-T194 WeakPolarHBondContact CA-OG1 3.32Å; L191-T194 PolarHBondContact O-OG1 3.35Å; L191-S195 WeakPolarHBondContact O-CB 3.27Å; L191-S195 PolarHBondContact O-N 3.34Å; L191-S195 VanDerWaalsContact O-N 3.09Å |
| 192 | A | 83.4 | Confident | 78.6 | Confident | 54 Ų | 54 | 96.3 Ų | 96.3 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I188 F189 S195 T196 | I188-A192 WeakPolarHBondContact O-CB 3.17Å; I188-A192 PolarHBondContact O-N 2.93Å; F189-A192 PolarHBondContact O-N 3.43Å; A192-S195 PolarHBondContact O-N 2.9Å; A192-T196 WeakPolarHBondContact O-CG2 3.48Å; A192-T196 PolarHBondContact O-N 2.83Å; A192-T196 PolarHBondContact O-OG1 3.35Å |
| 193 | L | 87.6 | Confident | 80.8 | Confident | 84 Ų | 84 | 98.7 Ų | 98.7 | 44% | 0.44 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 178.8 | -171.3 | 69.2 | 0 | 0 | 0 | 111.8 | F189 F190 T196 V197 | F189-L193 WeakPolarHBondContact O-CB 3.26Å; F189-L193 PolarHBondContact O-N 2.9Å; F190-L193 PolarHBondContact O-N 3.42Å; L193-T196 PolarHBondContact O-N 2.98Å; L193-T196 PolarHBondContact O-OG1 2.77Å; L193-V197 VanDerWaalsContact O-CG2 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.34Å; L193-V197 PolarHBondContact O-N 3.46Å; L193-V197 VanDerWaalsContact O-N 3.07Å |
| 194 | T | 86.1 | Confident | 82.4 | Confident | 80 Ų | 80 | 97 Ų | 97 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 177 | 49 | 0 | 0 | 0 | 0 | 111.8 | F190 L191 V197 V198 | F190-T194 WeakPolarHBondContact O-CB 3.38Å; F190-T194 VanDerWaalsContact O-CG2 3.29Å; F190-T194 WeakPolarHBondContact O-CG2 3.25Å; F190-T194 PolarHBondContact O-N 2.84Å; F190-T194 PolarHBondContact O-OG1 3.3Å; L191-T194 WeakPolarHBondContact CA-OG1 3.32Å; L191-T194 PolarHBondContact O-OG1 3.35Å; T194-V197 PolarHBondContact O-N 2.82Å; T194-V198 VanDerWaalsContact O-CG2 3.26Å; T194-V198 WeakPolarHBondContact O-CG2 3.32Å; T194-V198 PolarHBondContact O-N 3.46Å |
| 195 | S | 88.6 | Confident | 83.8 | Confident | 64 Ų | 64 | 100 Ų | 100 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 174.9 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | L191 A192 V197 V198 L199 | L191-S195 WeakPolarHBondContact O-CB 3.27Å; L191-S195 PolarHBondContact O-N 3.34Å; L191-S195 VanDerWaalsContact O-N 3.09Å; A192-S195 PolarHBondContact O-N 2.9Å; S195-V197 PolarHBondContact O-N 3.26Å; S195-V198 PolarHBondContact O-N 2.8Å; S195-L199 VanDerWaalsContact O-CG 3.31Å; S195-L199 WeakPolarHBondContact O-CG 3.44Å; S195-L199 PolarHBondContact O-N 3.46Å |
| 196 | T | 91.8 | Very high | 85.3 | Confident | 65 Ų | 65 | 99 Ų | 99 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 178.9 | 52.7 | 0 | 0 | 0 | 0 | 111.8 | A192 L193 V198 L199 F200 | A192-T196 WeakPolarHBondContact O-CG2 3.48Å; A192-T196 PolarHBondContact O-N 2.83Å; A192-T196 PolarHBondContact O-OG1 3.35Å; L193-T196 PolarHBondContact O-N 2.98Å; L193-T196 PolarHBondContact O-OG1 2.77Å; T196-V198 PolarHBondContact O-N 2.88Å; T196-L199 PolarHBondContact O-N 2.87Å; T196-F200 WeakPolarHBondContact O-CD2 3.45Å; T196-F200 PolarHBondContact O-N 3.35Å |
| 197 | V | 92.8 | Very high | 86.5 | Confident | 76 Ų | 76 | 96.2 Ų | 96.2 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 177 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L193 T194 S195 L199 F200 L201 | L193-V197 VanDerWaalsContact O-CG2 3.29Å; L193-V197 WeakPolarHBondContact O-CG2 3.34Å; L193-V197 PolarHBondContact O-N 3.46Å; L193-V197 VanDerWaalsContact O-N 3.07Å; T194-V197 PolarHBondContact O-N 2.82Å; S195-V197 PolarHBondContact O-N 3.26Å; V197-L199 PolarHBondContact O-N 3.26Å; V197-F200 PolarHBondContact O-N 3.27Å; V197-L201 HydrophobicContact CG1-CD1 4.11Å; V197-L201 HydrophobicContact CG1-CG 4.45Å; V197-L201 VanDerWaalsContact O-CG 3.31Å; V197-L201 WeakPolarHBondContact O-CG 3.39Å; V197-L201 PolarHBondContact O-N 3.47Å |
| 198 | V | 93.8 | Very high | 87.7 | Confident | 80 Ų | 80 | 101.3 Ų | 101.3 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.4 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | T194 S195 T196 F200 L201 L202 | T194-V198 VanDerWaalsContact O-CG2 3.26Å; T194-V198 WeakPolarHBondContact O-CG2 3.32Å; T194-V198 PolarHBondContact O-N 3.46Å; S195-V198 PolarHBondContact O-N 2.8Å; T196-V198 PolarHBondContact O-N 2.88Å; V198-F200 PolarHBondContact O-N 2.94Å; V198-L201 PolarHBondContact O-N 3.44Å; V198-L202 HydrophobicContact CG1-CD1 4.09Å; V198-L202 HydrophobicContact CG1-CG 4.41Å; V198-L202 WeakPolarHBondContact O-CG 3.28Å; V198-L202 PolarHBondContact O-N 2.9Å |
| 199 | L | 93.5 | Very high | 88.4 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 177 | -71 | 172.1 | 0 | 0 | 0 | 112.3 | S195 T196 V197 L202 F203 | S195-L199 VanDerWaalsContact O-CG 3.31Å; S195-L199 WeakPolarHBondContact O-CG 3.44Å; S195-L199 PolarHBondContact O-N 3.46Å; T196-L199 PolarHBondContact O-N 2.87Å; V197-L199 PolarHBondContact O-N 3.26Å; L199-L202 PolarHBondContact O-N 2.95Å; L199-F203 WeakPolarHBondContact O-CB 3.48Å; L199-F203 PolarHBondContact O-N 2.95Å |
| 200 | F | 93.8 | Very high | 88.8 | Confident | 126 Ų | 126 | 99.6 Ų | 99.6 | 55% | 0.553 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 174.7 | -86 | -70.4 | 0 | 0 | 0 | 111.8 | T196 V197 V198 L202 F203 F204 | T196-F200 WeakPolarHBondContact O-CD2 3.45Å; T196-F200 PolarHBondContact O-N 3.35Å; V197-F200 PolarHBondContact O-N 3.27Å; V198-F200 PolarHBondContact O-N 2.94Å; F200-L202 PolarHBondContact O-N 3.29Å; F200-F203 WeakPolarHBondContact O-CB 3.33Å; F200-F203 PolarHBondContact O-N 2.82Å; F200-F204 HydrophobicContact CD1-CE2 4.46Å; F200-F204 WeakPolarHBondContact O-CD2 3.23Å; F200-F204 PolarHBondContact O-N 3.46Å |
| 201 | L | 93.1 | Very high | 89.2 | Confident | 104 Ų | 104 | 97.7 Ų | 97.7 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.6 | -70.3 | 174.8 | 0 | 0 | 0 | 112 | V197 V198 F203 F204 L205 | V197-L201 HydrophobicContact CG1-CD1 4.11Å; V197-L201 HydrophobicContact CG1-CG 4.45Å; V197-L201 VanDerWaalsContact O-CG 3.31Å; V197-L201 WeakPolarHBondContact O-CG 3.39Å; V197-L201 PolarHBondContact O-N 3.47Å; V198-L201 PolarHBondContact O-N 3.44Å; L201-F203 VanDerWaalsContact C-N 3.35Å; L201-F203 PolarHBondContact O-N 3.46Å; L201-F204 PolarHBondContact O-N 2.87Å; L201-L205 WeakPolarHBondContact O-CG 3.26Å; L201-L205 PolarHBondContact O-N 3.16Å |
| 202 | L | 93.6 | Very high | 89.4 | Confident | 96 Ų | 96 | 95.9 Ų | 95.9 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 175.6 | -69 | 175.5 | 0 | 0 | 0 | 111.6 | V198 L199 F200 L205 V206 | V198-L202 HydrophobicContact CG1-CD1 4.09Å; V198-L202 HydrophobicContact CG1-CG 4.41Å; V198-L202 WeakPolarHBondContact O-CG 3.28Å; V198-L202 PolarHBondContact O-N 2.9Å; L199-L202 PolarHBondContact O-N 2.95Å; F200-L202 PolarHBondContact O-N 3.29Å; L202-L205 PolarHBondContact O-N 2.96Å; L202-V206 WeakPolarHBondContact O-CG2 3.28Å; L202-V206 PolarHBondContact O-N 3.5Å |
| 203 | F | 93.5 | Very high | 89.1 | Confident | 119 Ų | 119 | 98.9 Ų | 98.9 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 175.5 | -179.3 | -106.5 | 0 | 0 | 0 | 112 | L199 F200 L201 L205 V206 L207 | L199-F203 WeakPolarHBondContact O-CB 3.48Å; L199-F203 PolarHBondContact O-N 2.95Å; F200-F203 WeakPolarHBondContact O-CB 3.33Å; F200-F203 PolarHBondContact O-N 2.82Å; L201-F203 VanDerWaalsContact C-N 3.35Å; L201-F203 PolarHBondContact O-N 3.46Å; F203-L205 VanDerWaalsContact C-N 3.35Å; F203-L205 PolarHBondContact O-N 2.95Å; F203-V206 PolarHBondContact O-N 3.34Å; F203-L207 HydrophobicContact CD1-CD1 3.84Å; F203-L207 HydrophobicContact CD1-CG 4.35Å; F203-L207 HydrophobicContact CE1-CD1 3.36Å; F203-L207 HydrophobicContact CE1-CG 4.03Å; F203-L207 HydrophobicContact CE2-CG 4.44Å; F203-L207 HydrophobicContact CZ-CD1 3.79Å; F203-L207 HydrophobicContact CZ-CD2 4.19Å; F203-L207 HydrophobicContact CZ-CG 4.08Å; F203-L207 WeakPolarHBondContact O-CG 3.47Å; F203-L207 PolarHBondContact O-N 3.05Å |
| 204 | F | 91 | Very high | 88.6 | Confident | 120 Ų | 120 | 104.3 Ų | 104.3 | 53% | 0.526 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 175.4 | -79.9 | -65.7 | 0 | 0 | 0 | 112.6 | F200 L201 L207 R208 | F200-F204 HydrophobicContact CD1-CE2 4.46Å; F200-F204 WeakPolarHBondContact O-CD2 3.23Å; F200-F204 PolarHBondContact O-N 3.46Å; L201-F204 PolarHBondContact O-N 2.87Å; F204-L207 PolarHBondContact O-N 2.8Å; F204-R208 WeakPolarHBondContact O-CB 3.26Å; F204-R208 VanDerWaalsContact O-CG 3.28Å; F204-R208 WeakPolarHBondContact O-CG 3.37Å; F204-R208 PolarHBondContact O-N 3.17Å |
| 205 | L | 91 | Very high | 87.9 | Confident | 114 Ų | 114 | 103.8 Ų | 103.8 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 175.3 | -70.9 | 174.4 | 0 | 0 | 0 | 111.6 | L201 L202 F203 R208 F209 | L201-L205 WeakPolarHBondContact O-CG 3.26Å; L201-L205 PolarHBondContact O-N 3.16Å; L202-L205 PolarHBondContact O-N 2.96Å; F203-L205 VanDerWaalsContact C-N 3.35Å; F203-L205 PolarHBondContact O-N 2.95Å; L205-R208 PolarHBondContact O-N 2.97Å; L205-F209 WeakPolarHBondContact O-CB 3.05Å; L205-F209 PolarHBondContact O-N 3.23Å |
| 206 | V | 91.5 | Very high | 87.2 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L202 F203 F209 S210 | L202-V206 WeakPolarHBondContact O-CG2 3.28Å; L202-V206 PolarHBondContact O-N 3.5Å; F203-V206 PolarHBondContact O-N 3.34Å; V206-F209 PolarHBondContact O-N 3.37Å; V206-S210 VanDerWaalsContact O-CB 3.24Å; V206-S210 WeakPolarHBondContact O-CB 3.39Å; V206-S210 PolarHBondContact O-N 3.05Å; V206-S210 PolarHBondContact O-OG 3.42Å |
| 207 | L | 89.5 | Confident | 86.2 | Confident | 74 Ų | 74 | 112.5 Ų | 112.5 | 39% | 0.387 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 175.2 | -73.6 | -179.8 | 0 | 0 | 0 | 111.7 | F203 F204 F209 S210 V211 | F203-L207 HydrophobicContact CD1-CD1 3.84Å; F203-L207 HydrophobicContact CD1-CG 4.35Å; F203-L207 HydrophobicContact CE1-CD1 3.36Å; F203-L207 HydrophobicContact CE1-CG 4.03Å; F203-L207 HydrophobicContact CE2-CG 4.44Å; F203-L207 HydrophobicContact CZ-CD1 3.79Å; F203-L207 HydrophobicContact CZ-CD2 4.19Å; F203-L207 HydrophobicContact CZ-CG 4.08Å; F203-L207 WeakPolarHBondContact O-CG 3.47Å; F203-L207 PolarHBondContact O-N 3.05Å; F204-L207 PolarHBondContact O-N 2.8Å; L207-F209 VanDerWaalsContact C-N 3.34Å; L207-F209 PolarHBondContact O-N 3.06Å; L207-S210 PolarHBondContact O-N 3.31Å; L207-V211 VanDerWaalsContact O-CG2 3.3Å; L207-V211 WeakPolarHBondContact O-CG2 3.26Å; L207-V211 PolarHBondContact O-N 2.85Å |
| 208 | R | 87.6 | Confident | 85.4 | Confident | 190 Ų | 190 | 115.9 Ų | 115.9 | 72% | 0.717 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.8 | -45 | 176.2 | -71.9 | -67.7 | -167 | 179.3 | 3.5 | 111.1 | F204 L205 S210 V211 V212 | F204-R208 WeakPolarHBondContact O-CB 3.26Å; F204-R208 VanDerWaalsContact O-CG 3.28Å; F204-R208 WeakPolarHBondContact O-CG 3.37Å; F204-R208 PolarHBondContact O-N 3.17Å; L205-R208 PolarHBondContact O-N 2.97Å; R208-S210 VanDerWaalsContact C-N 3.33Å; R208-S210 PolarHBondContact O-N 3.29Å; R208-V211 PolarHBondContact O-N 3.3Å; R208-V212 WeakPolarHBondContact O-CB 3.49Å; R208-V212 VanDerWaalsContact O-CG2 3.27Å; R208-V212 WeakPolarHBondContact O-CG2 3.41Å; R208-V212 PolarHBondContact O-N 3.43Å |
| 209 | F | 85.8 | Confident | 84 | Confident | 150 Ų | 150 | 117.7 Ų | 117.7 | 66% | 0.658 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65 | -38.2 | 177.3 | -153.6 | -90.9 | 0 | 0 | 0 | 111.9 | L205 V206 L207 V212 K213 | L205-F209 WeakPolarHBondContact O-CB 3.05Å; L205-F209 PolarHBondContact O-N 3.23Å; V206-F209 PolarHBondContact O-N 3.37Å; L207-F209 VanDerWaalsContact C-N 3.34Å; L207-F209 PolarHBondContact O-N 3.06Å; F209-V212 PolarHBondContact O-N 3.29Å; F209-K213 WeakPolarHBondContact O-CB 3.04Å; F209-K213 PolarHBondContact O-N 2.94Å |
| 210 | S | 81.1 | Confident | 82.4 | Confident | 61 Ų | 61 | 117.9 Ų | 117.9 | 43% | 0.427 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.5 | -41.6 | 176.2 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | V206 L207 R208 K213 R214 | V206-S210 VanDerWaalsContact O-CB 3.24Å; V206-S210 WeakPolarHBondContact O-CB 3.39Å; V206-S210 PolarHBondContact O-N 3.05Å; V206-S210 PolarHBondContact O-OG 3.42Å; L207-S210 PolarHBondContact O-N 3.31Å; R208-S210 VanDerWaalsContact C-N 3.33Å; R208-S210 PolarHBondContact O-N 3.29Å; S210-K213 PolarHBondContact O-N 3.23Å; S210-R214 WeakPolarHBondContact O-CB 3.27Å; S210-R214 PolarHBondContact O-N 3.37Å |
| 211 | V | 85.8 | Confident | 81 | Confident | 85 Ų | 85 | 119.4 Ų | 119.4 | 52% | 0.515 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.4 | -46.2 | 174.4 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L207 R208 K213 R214 S215 | L207-V211 VanDerWaalsContact O-CG2 3.3Å; L207-V211 WeakPolarHBondContact O-CG2 3.26Å; L207-V211 PolarHBondContact O-N 2.85Å; R208-V211 PolarHBondContact O-N 3.3Å; V211-K213 PolarHBondContact O-N 2.9Å; V211-R214 PolarHBondContact O-N 2.91Å; V211-S215 WeakPolarHBondContact O-CB 3.49Å; V211-S215 PolarHBondContact O-N 2.04Å; V211-S215 PolarHBondContact O-OG 3.4Å |
| 212 | V | 82.8 | Confident | 79.5 | Confident | 75 Ų | 75 | 119.4 Ų | 119.4 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.7 | -43 | 176.9 | 172 | 0 | 0 | 0 | 0 | 111.2 | R208 F209 S215 R216 | R208-V212 WeakPolarHBondContact O-CB 3.49Å; R208-V212 VanDerWaalsContact O-CG2 3.27Å; R208-V212 WeakPolarHBondContact O-CG2 3.41Å; R208-V212 PolarHBondContact O-N 3.43Å; F209-V212 PolarHBondContact O-N 3.29Å; V212-S215 PolarHBondContact O-N 3.28Å; V212-R216 WeakPolarHBondContact O-CB 3.36Å; V212-R216 WeakPolarHBondContact O-CG 3.43Å; V212-R216 PolarHBondContact O-N 2.75Å |
| 213 | K | 78.1 | Confident | 77.8 | Confident | 116 Ų | 116 | 123.8 Ų | 123.8 | 50% | 0.504 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.7 | -39.1 | 176.4 | -167.5 | 174.8 | -173.8 | 176.4 | 0 | 111.3 | F209 S210 V211 K217 | F209-K213 WeakPolarHBondContact O-CB 3.04Å; F209-K213 PolarHBondContact O-N 2.94Å; S210-K213 PolarHBondContact O-N 3.23Å; V211-K213 PolarHBondContact O-N 2.9Å; K213-K217 WeakPolarHBondContact O-CB 3.22Å; K213-K217 VanDerWaalsContact O-CG 3.27Å; K213-K217 WeakPolarHBondContact O-CG 3.41Å; K213-K217 PolarHBondContact O-N 3.47Å |
| 214 | R | 75.4 | Confident | 75.9 | Confident | 199 Ų | 199 | 126.2 Ų | 126.2 | 75% | 0.751 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.3 | -42 | 174.3 | -172.1 | 176.3 | -174.9 | 179.2 | 1.3 | 111.3 | S210 V211 K217 K218 | S210-R214 WeakPolarHBondContact O-CB 3.27Å; S210-R214 PolarHBondContact O-N 3.37Å; V211-R214 PolarHBondContact O-N 2.91Å; R214-K217 PolarHBondContact O-N 3.47Å; R214-K218 VanDerWaalsContact O-CB 3.31Å; R214-K218 WeakPolarHBondContact O-CB 3.08Å; R214-K218 PolarHBondContact O-N 3.41Å |
| 215 | S | 72.2 | Confident | 73.9 | Confident | 68 Ų | 68 | 127 Ų | 127 | 48% | 0.476 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.2 | -42.3 | 175.5 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | V211 V212 K218 L219 | V211-S215 WeakPolarHBondContact O-CB 3.49Å; V211-S215 PolarHBondContact O-N 2.04Å; V211-S215 PolarHBondContact O-OG 3.4Å; V212-S215 PolarHBondContact O-N 3.28Å; S215-K218 PolarHBondContact O-N 3.3Å; S215-L219 WeakPolarHBondContact O-CB 3.49Å; S215-L219 PolarHBondContact O-N 2.84Å |
| 216 | R | 74.3 | Confident | 71.8 | Confident | 176 Ų | 176 | 126.7 Ų | 126.7 | 66% | 0.664 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.2 | -41.6 | 173.3 | -74.8 | -176.1 | 179.7 | -167.9 | 1 | 112.2 | V212 L219 L220 | V212-R216 WeakPolarHBondContact O-CB 3.36Å; V212-R216 WeakPolarHBondContact O-CG 3.43Å; V212-R216 PolarHBondContact O-N 2.75Å; R216-L219 PolarHBondContact O-N 3.45Å; R216-L220 WeakPolarHBondContact O-CB 3.24Å; R216-L220 PolarHBondContact O-N 3.4Å |
| 217 | K | 70.9 | Confident | 69.7 | Low | 136 Ų | 136 | 131.4 Ų | 131.4 | 59% | 0.591 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.4 | -42.4 | 173.5 | -76.7 | 179.2 | 177.1 | -169.4 | 0 | 111.8 | K213 R214 L220 Y221 | K213-K217 WeakPolarHBondContact O-CB 3.22Å; K213-K217 VanDerWaalsContact O-CG 3.27Å; K213-K217 WeakPolarHBondContact O-CG 3.41Å; K213-K217 PolarHBondContact O-N 3.47Å; R214-K217 PolarHBondContact O-N 3.47Å; K217-L220 PolarHBondContact O-N 2.9Å; K217-Y221 WeakPolarHBondContact O-CB 3.29Å; K217-Y221 PolarHBondContact O-N 3.37Å |
| 218 | K | 74.8 | Confident | 67.5 | Low | 147 Ų | 147 | 134.3 Ų | 134.3 | 64% | 0.639 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.8 | -40.8 | 176.5 | -167.7 | 177.7 | -178.4 | -176.6 | 0 | 111.3 | R214 S215 Y221 I222 | R214-K218 VanDerWaalsContact O-CB 3.31Å; R214-K218 WeakPolarHBondContact O-CB 3.08Å; R214-K218 PolarHBondContact O-N 3.41Å; S215-K218 PolarHBondContact O-N 3.3Å; K218-Y221 PolarHBondContact O-N 2.59Å; K218-I222 HydrophobicContact CG-CD1 4.19Å; K218-I222 WeakPolarHBondContact O-CD1 3.4Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.18Å; K218-I222 PolarHBondContact O-N 2.92Å |
| 219 | L | 64.1 | Low | 65.1 | Low | 118 Ų | 118 | 134.4 Ų | 134.4 | 62% | 0.618 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.8 | -45.5 | 175.1 | -166.8 | 81.2 | 0 | 0 | 0 | 111.8 | S215 R216 Y221 I222 F223 | S215-L219 WeakPolarHBondContact O-CB 3.49Å; S215-L219 PolarHBondContact O-N 2.84Å; R216-L219 PolarHBondContact O-N 3.45Å; L219-Y221 VanDerWaalsContact C-N 3.27Å; L219-Y221 PolarHBondContact O-N 2.91Å; L219-I222 PolarHBondContact O-N 2.9Å; L219-F223 PolarHBondContact O-N 3.35Å |
| 220 | L | 61.9 | Low | 62.8 | Low | 112 Ų | 112 | 133.3 Ų | 133.3 | 59% | 0.586 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.6 | -31.8 | 175.2 | -89.4 | 158.2 | 0 | 0 | 0 | 112.8 | R216 K217 K224 | R216-L220 WeakPolarHBondContact O-CB 3.24Å; R216-L220 PolarHBondContact O-N 3.4Å; K217-L220 PolarHBondContact O-N 2.9Å; L220-K224 WeakPolarHBondContact O-CB 3.33Å; L220-K224 WeakPolarHBondContact O-CG 3.48Å; L220-K224 PolarHBondContact O-N 3.4Å |
| 221 | Y | 63.4 | Low | 60.5 | Low | 159 Ų | 159 | 136.1 Ų | 136.1 | 62% | 0.624 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.6 | -44.8 | 174.5 | -172.6 | -94.9 | 0 | 0 | 0 | 111.7 | K217 K218 L219 F223 K224 | K217-Y221 WeakPolarHBondContact O-CB 3.29Å; K217-Y221 PolarHBondContact O-N 3.37Å; K218-Y221 PolarHBondContact O-N 2.59Å; L219-Y221 VanDerWaalsContact C-N 3.27Å; L219-Y221 PolarHBondContact O-N 2.91Å; Y221-F223 VanDerWaalsContact C-N 3.32Å; Y221-F223 PolarHBondContact O-N 3.28Å; Y221-K224 PolarHBondContact O-N 2.91Å |
| 222 | I | 61.7 | Low | 58.4 | Low | 104 Ų | 104 | 141.3 Ų | 141.3 | 53% | 0.533 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -63.2 | -38.5 | 177.1 | -67 | 163.2 | 0 | 0 | 0 | 111.1 | K218 L219 K224 | K218-I222 HydrophobicContact CG-CD1 4.19Å; K218-I222 WeakPolarHBondContact O-CD1 3.4Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.18Å; K218-I222 PolarHBondContact O-N 2.92Å; L219-I222 PolarHBondContact O-N 2.9Å; I222-K224 VanDerWaalsContact C-N 3.28Å; I222-K224 PolarHBondContact O-N 2.87Å |
| 223 | F | 58.6 | Low | 56 | Low | 187 Ų | 187 | 144 Ų | 144 | 82% | 0.82 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -74.8 | -15.9 | 179.1 | -138.7 | -89.9 | 0 | 0 | 0 | 113.8 | L219 Y221 | L219-F223 PolarHBondContact O-N 3.35Å; Y221-F223 VanDerWaalsContact C-N 3.32Å; Y221-F223 PolarHBondContact O-N 3.28Å |
| 224 | K | 53.4 | Low | 53.8 | Low | 171 Ų | 171 | 144.6 Ų | 144.6 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -4 | -179.8 | -88.3 | -167.8 | 175.8 | -170.4 | 0 | 114.8 | L220 Y221 I222 P226 | L220-K224 WeakPolarHBondContact O-CB 3.33Å; L220-K224 WeakPolarHBondContact O-CG 3.48Å; L220-K224 PolarHBondContact O-N 3.4Å; Y221-K224 PolarHBondContact O-N 2.91Å; I222-K224 VanDerWaalsContact C-N 3.28Å; I222-K224 PolarHBondContact O-N 2.87Å; K224-P226 WeakPolarHBondContact O-CD 3.33Å |
| 225 | Q | 48.8 | Very low | 51.9 | Low | 135 Ų | 135 | 144 Ų | 144 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | trans | -79.3 | 110.4 | 171.2 | -86.9 | -174.4 | -47.3 | 0 | 0 | 109.8 | ||||
| 226 | P | 46.2 | Very low | 49.8 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | trans | -73 | 144.9 | 169.3 | -2.9 | 23.2 | 0 | 0 | 0 | 108.8 | K224 V228 | K224-P226 WeakPolarHBondContact O-CD 3.33Å; P226-V228 PolarHBondContact O-N 3.35Å | ||
| 227 | F | 48.4 | Very low | 48.3 | Very low | 187 Ų | 187 | 149.7 Ų | 149.7 | 82% | 0.82 | 74% | 0.737 | S | S | * | * | trans | -58.6 | 90.2 | 178.1 | -158.2 | -92.9 | 0 | 0 | 0 | 111.4 | R229 | F227-R229 HydrophobicContact CD1-CG 3.99Å; F227-R229 HydrophobicContact CE1-CG 3.81Å; F227-R229 PolarHBondContact O-N 2.87Å | ||
| 228 | V | 42 | Very low | 46.5 | Very low | 135 Ų | 135 | 151.4 Ų | 151.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -84.1 | 106.9 | 167.7 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | P226 | P226-V228 PolarHBondContact O-N 3.35Š| ||
| 229 | R | 38.4 | Very low | 44.7 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -66 | 132.8 | 170.1 | -77.5 | -178.5 | -179.1 | 176.7 | -0.3 | 109.3 | F227 V231 | F227-R229 HydrophobicContact CD1-CG 3.99Å; F227-R229 HydrophobicContact CE1-CG 3.81Å; F227-R229 PolarHBondContact O-N 2.87Å; R229-V231 PolarHBondContact O-N 3.24Å |
| 230 | P | 37.4 | Very low | 43.5 | Very low | 126 Ų | 126 | 148.4 Ų | 148.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 119.3 | 167.1 | 29.3 | -28.2 | 0 | 0 | 0 | 108.7 | ||
| 231 | V | 32.1 | Very low | 42.5 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 117.3 | 164.3 | 171.7 | 0 | 0 | 0 | 0 | 106.6 | R229 T233 | R229-V231 PolarHBondContact O-N 3.24Å; V231-T233 PolarHBondContact O-N 3.07Å |
| 232 | Q | 40.9 | Very low | 41.2 | Very low | 193 Ų | 193 | 147 Ų | 147 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 123.3 | 164.4 | -92.7 | 173 | -28.3 | 0 | 0 | 108.5 | ||
| 233 | T | 33.1 | Very low | 40 | Very low | 133 Ų | 133 | 153.5 Ų | 153.5 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -119.8 | 120.3 | 161.5 | 15.6 | 0 | 0 | 0 | 0 | 107.8 | V231 | V231-T233 PolarHBondContact O-N 3.07Š| ||
| 234 | T | 32.8 | Very low | 39.2 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -79.2 | 151.6 | 170.8 | 33.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 235 | Q | 33.8 | Very low | 38.7 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | 70.5 | 134.2 | 172.5 | -95.8 | 167.2 | -50 | 0 | 0 | 115.1 | ||||
| 236 | E | 29.2 | Very low | 38.3 | Very low | 183 Ų | 183 | 154 Ų | 154 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | -164.3 | 154.6 | 53.9 | -161.9 | 161.6 | -170.9 | 0 | 0 | 111.1 | |||||
| 237 | E | 41.6 | Very low | 38 | Very low | 182 Ų | 182 | 158 Ų | 158 | 85% | 0.85 | 83% | 0.834 | S | S | * | * | trans | -66.6 | 144.3 | 178.4 | -63.6 | 179.4 | 135.9 | 0 | 0 | 112.4 | ||||
| 238 | D | 34.6 | Very low | 37.7 | Very low | 171 Ų | 171 | 158.6 Ų | 158.6 | 91% | 0.914 | 84% | 0.839 | S | S | * | * | 174.4 | 147.8 | 121 | -113.6 | -25.6 | 0 | 0 | 0 | 112.9 | |||||
| 239 | G | 36.8 | Very low | 37.6 | Very low | 68 Ų | 68 | 161.7 Ų | 161.7 | 70% | 0.701 | 85% | 0.845 | S | S | * | * | trans | 102.5 | 82.9 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 240 | C | 39 | Very low | 37.4 | Very low | 135 Ų | 135 | 156.4 Ų | 156.4 | 91% | 0.912 | 85% | 0.85 | S | S | * | * | trans | 38.5 | 131.4 | 133.5 | -88.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 241 | S | 40.1 | Very low | 37.3 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 78% | 0.776 | 85% | 0.852 | S | S | * | * | 120.8 | 90.3 | 126.8 | -169.4 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 242 | C | 37.3 | Very low | 37.5 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 88% | 0.878 | 86% | 0.858 | S | S | * | * | trans | -128.4 | 111.5 | 151 | -71.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 243 | R | 36.8 | Very low | 37.4 | Very low | 240 Ų | 240 | 154.3 Ų | 154.3 | 91% | 0.906 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 133.5 | 173.1 | -162.3 | -179.4 | -176.3 | 152.1 | -0.1 | 108.4 | ||
| 244 | F | 40.7 | Very low | 37.8 | Very low | 191 Ų | 191 | 159.4 Ų | 159.4 | 84% | 0.838 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 143 | 170.2 | -74.2 | -93.2 | 0 | 0 | 0 | 110.1 | ||
| 245 | P | 42.9 | Very low | 38.1 | Very low | 124 Ų | 124 | 161 Ų | 161 | 81% | 0.805 | 88% | 0.882 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 132.2 | 160.8 | 0.1 | 18 | 0 | 0 | 0 | 110.2 | ||
| 246 | E | 40.3 | Very low | 38.3 | Very low | 188 Ų | 188 | 159.7 Ų | 159.7 | 88% | 0.879 | 88% | 0.883 | S | S | * | * | P | Polyproline II helix | trans | -65 | 146.1 | 172.4 | -80.1 | 161.1 | 128.6 | 0 | 0 | 112.2 | ||
| 247 | E | 39.8 | Very low | 38.8 | Very low | 194 Ų | 194 | 158.4 Ų | 158.4 | 91% | 0.907 | 88% | 0.884 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 129.5 | 164.3 | -67.2 | 172.5 | 154.5 | 0 | 0 | 109 | ||
| 248 | E | 41.4 | Very low | 38.7 | Very low | 200 Ų | 200 | 157 Ų | 157 | 94% | 0.935 | 89% | 0.886 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 116.3 | 163 | -74.1 | -140.6 | 167.5 | 0 | 0 | 109.9 | ||
| 249 | E | 41.3 | Very low | 38.9 | Very low | 200 Ų | 200 | 156.1 Ų | 156.1 | 94% | 0.935 | 89% | 0.885 | S | S | * | * | trans | -104.9 | 133.7 | 169.7 | -154.7 | 177.2 | -151.5 | 0 | 0 | 108.1 | ||||
| 250 | G | 33.7 | Very low | 39.1 | Very low | 82 Ų | 82 | 162 Ų | 162 | 85% | 0.845 | 90% | 0.897 | S | S | * | * | trans | 120.8 | 129 | 151.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 251 | G | 35.6 | Very low | 39.1 | Very low | 83 Ų | 83 | 163.9 Ų | 163.9 | 86% | 0.856 | 90% | 0.896 | S | S | * | * | trans | 150.2 | 93.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 252 | C | 35.8 | Very low | 39 | Very low | 128 Ų | 128 | 168 Ų | 168 | 87% | 0.865 | 91% | 0.905 | S | S | * | * | trans | -78 | 173.3 | 161.6 | -71.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 253 | E | 39.5 | Very low | 39.1 | Very low | 184 Ų | 184 | 171.2 Ų | 171.2 | 86% | 0.86 | 91% | 0.907 | S | S | * | * | trans | 106.5 | 125.8 | 173 | -63.3 | -165.4 | 164.7 | 0 | 0 | 113.3 | ||||
| 254 | L | 42 | Very low | 39.4 | Very low | 240 Ų | 240 | 164.9 Ų | 164.9 | 100% | 1.257 | 91% | 0.907 | S | S | * | * | cis | -141.8 | 0 | 19.7 | -95.3 | 145.3 | 0 | 0 | 0 | 111.1 |
Retrieved 254 of 254 residues in 328.4 ms
(Link to these results)