| 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 | 43.8 | Very low | 41.6 | Very low | 233 Ų | 233 | 120 Ų | 120 | 100% | 1.148 | 64% | 0.636 | S | S | * | * | 0 | 109 | 0 | -75.4 | 171.8 | -173.2 | 0 | 0 | 105.8 | |||||
| 2 | N | 35 | Very low | 41.9 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 60% | 0.604 | 63% | 0.634 | S | S | * | * | trans | -80.5 | 130.6 | -153.3 | -67.4 | -23.7 | 0 | 0 | 0 | 111 | I4 E5 | N2-I4 PolarHBondContact O-N 2.92Å; N2-E5 PolarHBondContact O-N 3.22Å | ||
| 3 | E | 38.7 | Very low | 42.2 | Very low | 174 Ų | 174 | 119.7 Ų | 119.7 | 81% | 0.813 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -54.2 | -13.8 | 177.1 | -63.5 | -175.3 | 153.9 | 0 | 0 | 113.6 | A7 | E3-A7 WeakPolarHBondContact O-CB 2.91Å; E3-A7 PolarHBondContact O-N 3.06Å |
| 4 | I | 42 | Very low | 42.3 | Very low | 138 Ų | 138 | 122.6 Ų | 122.6 | 71% | 0.708 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75.5 | -32.3 | 178.3 | -58.4 | 174.2 | 0 | 0 | 0 | 112.3 | N2 A8 | N2-I4 PolarHBondContact O-N 2.92Å; I4-A8 PolarHBondContact O-N 2.97Å; I4-A8 VanDerWaalsContact O-N 3.12Å |
| 5 | E | 38.8 | Very low | 42.1 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 67% | 0.673 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.9 | -32.9 | -177.9 | -79.2 | -179.4 | 150.9 | 0 | 0 | 112.9 | N2 A8 T9 | N2-E5 PolarHBondContact O-N 3.22Å; E5-A8 WeakPolarHBondContact O-CB 3.24Å; E5-A8 PolarHBondContact O-N 3.17Å; E5-T9 PolarHBondContact O-N 3.05Å; E5-T9 PolarHBondContact O-OG1 2.9Å |
| 6 | I | 46.8 | Very low | 42.1 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72 | -36.8 | 174 | -60.5 | 173.8 | 0 | 0 | 0 | 110.1 | A8 T9 L10 | I6-A8 VanDerWaalsContact C-N 3.28Å; I6-A8 PolarHBondContact O-N 3.06Å; I6-T9 PolarHBondContact O-N 2.97Å; I6-T9 PolarHBondContact O-OG1 3.19Å; I6-L10 HydrophobicContact CG2-CD1 3.98Å; I6-L10 WeakPolarHBondContact O-CB 3.38Å; I6-L10 WeakPolarHBondContact O-CG 3.26Å; I6-L10 PolarHBondContact O-N 2.74Å |
| 7 | A | 38.6 | Very low | 42.4 | Very low | 57 Ų | 57 | 119.1 Ų | 119.1 | 47% | 0.471 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.2 | -35.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E3 H11 | E3-A7 WeakPolarHBondContact O-CB 2.91Å; E3-A7 PolarHBondContact O-N 3.06Å; A7-H11 WeakPolarHBondContact O-CB 3.47Å; A7-H11 PolarHBondContact O-N 3Å |
| 8 | A | 37.8 | Very low | 42.6 | Very low | 54 Ų | 54 | 120.6 Ų | 120.6 | 45% | 0.446 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.6 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | I4 E5 I6 H11 V12 | I4-A8 PolarHBondContact O-N 2.97Å; I4-A8 VanDerWaalsContact O-N 3.12Å; E5-A8 WeakPolarHBondContact O-CB 3.24Å; E5-A8 PolarHBondContact O-N 3.17Å; I6-A8 VanDerWaalsContact C-N 3.28Å; I6-A8 PolarHBondContact O-N 3.06Å; A8-H11 PolarHBondContact O-N 2.99Å; A8-V12 VanDerWaalsContact O-CG2 3.32Å; A8-V12 WeakPolarHBondContact O-CG2 3.41Å; A8-V12 PolarHBondContact O-N 3.18Å |
| 9 | T | 48.4 | Very low | 42.6 | Very low | 87 Ų | 87 | 117.7 Ų | 117.7 | 53% | 0.534 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.2 | -38.4 | 177 | 6 | 0 | 0 | 0 | 0 | 112.2 | E5 I6 H11 V12 Q13 | E5-T9 PolarHBondContact O-N 3.05Å; E5-T9 PolarHBondContact O-OG1 2.9Å; I6-T9 PolarHBondContact O-N 2.97Å; I6-T9 PolarHBondContact O-OG1 3.19Å; T9-H11 VanDerWaalsContact C-N 3.35Å; T9-V12 PolarHBondContact O-N 2.99Å; T9-Q13 PolarHBondContact O-N 2.64Å |
| 10 | L | 47.2 | Very low | 42.9 | Very low | 96 Ų | 96 | 115.6 Ų | 115.6 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.8 | -33.6 | 172.1 | -71.8 | 169.2 | 0 | 0 | 0 | 111.8 | I6 Q13 Y14 | I6-L10 HydrophobicContact CG2-CD1 3.98Å; I6-L10 WeakPolarHBondContact O-CB 3.38Å; I6-L10 WeakPolarHBondContact O-CG 3.26Å; I6-L10 PolarHBondContact O-N 2.74Å; L10-Q13 PolarHBondContact O-N 3.47Å; L10-Y14 WeakPolarHBondContact O-CB 3.34Å; L10-Y14 PolarHBondContact O-N 3.43Å |
| 11 | H | 40.8 | Very low | 43.3 | Very low | 111 Ų | 111 | 114.1 Ų | 114.1 | 51% | 0.514 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.1 | -37.2 | 172.6 | -164.2 | -127.1 | 0 | 0 | 0 | 111.1 | A7 A8 T9 W15 | A7-H11 WeakPolarHBondContact O-CB 3.47Å; A7-H11 PolarHBondContact O-N 3Å; A8-H11 PolarHBondContact O-N 2.99Å; T9-H11 VanDerWaalsContact C-N 3.35Å; H11-W15 AromaticContact CD2-CD1 3.49Å; H11-W15 VanDerWaalsContact CD2-CD1 3.49Å; H11-W15 AromaticContact CD2-NE1 3.52Å; H11-W15 AromaticContact CE1-CD1 3.58Å; H11-W15 AromaticContact CE1-CE2 3.97Å; H11-W15 AromaticContact CE1-NE1 3.08Å; H11-W15 PolarHBondContact CE1-NE1 3.46Å; H11-W15 AromaticContact CG-CD1 3.72Å; H11-W15 AromaticContact CG-NE1 3.99Å; H11-W15 AromaticContact ND1-CD1 3.76Å; H11-W15 AromaticContact ND1-NE1 3.74Å; H11-W15 AromaticContact NE2-CD1 3.39Å; H11-W15 AromaticContact NE2-NE1 2.88Å; H11-W15 PolarHBondContact NE2-NE1 3.3Å; H11-W15 WeakPolarHBondContact O-CA 3.48Å; H11-W15 WeakPolarHBondContact O-CB 3.32Å; H11-W15 PolarHBondContact O-N 3.31Å |
| 12 | V | 44.6 | Very low | 43.5 | Very low | 101 Ų | 101 | 107.9 Ų | 107.9 | 61% | 0.612 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.7 | -39.6 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 112.2 | A8 T9 A16 | A8-V12 VanDerWaalsContact O-CG2 3.32Å; A8-V12 WeakPolarHBondContact O-CG2 3.41Å; A8-V12 PolarHBondContact O-N 3.18Å; T9-V12 PolarHBondContact O-N 2.99Å; V12-A16 VanDerWaalsContact O-CB 3.25Å; V12-A16 WeakPolarHBondContact O-CB 3.41Å; V12-A16 PolarHBondContact O-N 3.46Å |
| 13 | Q | 46.7 | Very low | 44.2 | Very low | 135 Ų | 135 | 104.7 Ų | 104.7 | 63% | 0.631 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.7 | -38.7 | 176 | -72.2 | -174.7 | -13.7 | 0 | 0 | 112.5 | T9 L10 A16 L17 | T9-Q13 PolarHBondContact O-N 2.64Å; L10-Q13 PolarHBondContact O-N 3.47Å; Q13-A16 PolarHBondContact O-N 3.21Å; Q13-L17 WeakPolarHBondContact O-CB 3.47Å; Q13-L17 PolarHBondContact O-N 3.5Å |
| 14 | Y | 43.5 | Very low | 44.8 | Very low | 160 Ų | 160 | 101.3 Ų | 101.3 | 63% | 0.627 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.1 | -36.1 | 173.9 | -152.2 | -92.3 | 0 | 0 | 0 | 111 | L10 R18 | L10-Y14 WeakPolarHBondContact O-CB 3.34Å; L10-Y14 PolarHBondContact O-N 3.43Å; Y14-R18 WeakPolarHBondContact O-CA 3.33Å; Y14-R18 WeakPolarHBondContact O-CB 3.4Å; Y14-R18 PolarHBondContact O-N 2.88Å |
| 15 | W | 39.1 | Very low | 45.1 | Very low | 140 Ų | 140 | 102.2 Ų | 102.2 | 53% | 0.53 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.1 | -32.8 | 170.2 | -89.7 | 71.4 | 0 | 0 | 0 | 112.6 | H11 R18 C19 | H11-W15 AromaticContact CD2-CD1 3.49Å; H11-W15 VanDerWaalsContact CD2-CD1 3.49Å; H11-W15 AromaticContact CD2-NE1 3.52Å; H11-W15 AromaticContact CE1-CD1 3.58Å; H11-W15 AromaticContact CE1-CE2 3.97Å; H11-W15 AromaticContact CE1-NE1 3.08Å; H11-W15 PolarHBondContact CE1-NE1 3.46Å; H11-W15 AromaticContact CG-CD1 3.72Å; H11-W15 AromaticContact CG-NE1 3.99Å; H11-W15 AromaticContact ND1-CD1 3.76Å; H11-W15 AromaticContact ND1-NE1 3.74Å; H11-W15 AromaticContact NE2-CD1 3.39Å; H11-W15 AromaticContact NE2-NE1 2.88Å; H11-W15 PolarHBondContact NE2-NE1 3.3Å; H11-W15 WeakPolarHBondContact O-CA 3.48Å; H11-W15 WeakPolarHBondContact O-CB 3.32Å; H11-W15 PolarHBondContact O-N 3.31Å; W15-R18 PolarHBondContact O-N 2.9Å; W15-C19 WeakPolarHBondContact O-CA 3.23Å; W15-C19 WeakPolarHBondContact O-CB 3.45Å; W15-C19 PolarHBondContact O-N 3.16Å; W15-C19 PolarHBondContact O-SG 3.01Å |
| 16 | A | 42.4 | Very low | 45.6 | Very low | 53 Ų | 53 | 99.1 Ų | 99.1 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V12 Q13 C20 | V12-A16 VanDerWaalsContact O-CB 3.25Å; V12-A16 WeakPolarHBondContact O-CB 3.41Å; V12-A16 PolarHBondContact O-N 3.46Å; Q13-A16 PolarHBondContact O-N 3.21Å; A16-C20 VanDerWaalsContact O-CB 3.28Å; A16-C20 WeakPolarHBondContact O-CB 3.34Å; A16-C20 PolarHBondContact O-N 3.24Å; A16-C20 PolarHBondContact O-SG 3.36Å |
| 17 | L | 46.3 | Very low | 45.6 | Very low | 116 Ų | 116 | 100.5 Ų | 100.5 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.3 | -41.1 | 174.2 | -140.9 | 81.5 | 0 | 0 | 0 | 111.1 | Q13 C20 I21 | Q13-L17 WeakPolarHBondContact O-CB 3.47Å; Q13-L17 PolarHBondContact O-N 3.5Å; L17-C20 PolarHBondContact O-N 3.12Å; L17-I21 WeakPolarHBondContact O-CB 3.23Å; L17-I21 WeakPolarHBondContact O-CD1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.13Å; L17-I21 PolarHBondContact O-N 2.82Å |
| 18 | R | 46.2 | Very low | 46 | Very low | 146 Ų | 146 | 101 Ų | 101 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -74.9 | -30.4 | 178.8 | -161 | 174.5 | -174.4 | -171.6 | 1.6 | 112.4 | Y14 W15 L22 | Y14-R18 WeakPolarHBondContact O-CA 3.33Å; Y14-R18 WeakPolarHBondContact O-CB 3.4Å; Y14-R18 PolarHBondContact O-N 2.88Å; W15-R18 PolarHBondContact O-N 2.9Å; R18-L22 HydrophobicContact CG-CD1 3.83Å; R18-L22 WeakPolarHBondContact O-CB 3.24Å; R18-L22 WeakPolarHBondContact O-CD1 3.43Å; R18-L22 PolarHBondContact O-N 3.48Å |
| 19 | C | 43.6 | Very low | 46.2 | Very low | 65 Ų | 65 | 100.3 Ų | 100.3 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.4 | -32.5 | 168.5 | -76.8 | 0 | 0 | 0 | 0 | 111.6 | W15 S23 | W15-C19 WeakPolarHBondContact O-CA 3.23Å; W15-C19 WeakPolarHBondContact O-CB 3.45Å; W15-C19 PolarHBondContact O-N 3.16Å; W15-C19 PolarHBondContact O-SG 3.01Å; C19-S23 WeakPolarHBondContact O-CA 3.3Å; C19-S23 WeakPolarHBondContact O-CB 3.45Å; C19-S23 PolarHBondContact O-N 2.88Å |
| 20 | C | 48.4 | Very low | 46.2 | Very low | 75 Ų | 75 | 100.3 Ų | 100.3 | 51% | 0.507 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 169.7 | -80.4 | 0 | 0 | 0 | 0 | 111.2 | A16 L17 S23 Y24 | A16-C20 VanDerWaalsContact O-CB 3.28Å; A16-C20 WeakPolarHBondContact O-CB 3.34Å; A16-C20 PolarHBondContact O-N 3.24Å; A16-C20 PolarHBondContact O-SG 3.36Å; L17-C20 PolarHBondContact O-N 3.12Å; C20-S23 PolarHBondContact O-N 3.33Å; C20-Y24 WeakPolarHBondContact O-CB 3.5Å; C20-Y24 PolarHBondContact O-N 3.45Å |
| 21 | I | 51.1 | Low | 46 | Very low | 86 Ų | 86 | 98.3 Ų | 98.3 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -43.9 | 174.7 | -68.1 | 163.7 | 0 | 0 | 0 | 110.2 | L17 S23 Y24 Y25 | L17-I21 WeakPolarHBondContact O-CB 3.23Å; L17-I21 WeakPolarHBondContact O-CD1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.13Å; L17-I21 PolarHBondContact O-N 2.82Å; I21-S23 VanDerWaalsContact C-N 3.35Å; I21-S23 PolarHBondContact O-N 3.48Å; I21-Y24 WeakPolarHBondContact O-CB 3.21Å; I21-Y24 PolarHBondContact O-N 3.37Å; I21-Y25 HydrophobicContact CG2-CD2 3.66Å; I21-Y25 HydrophobicContact CG2-CE2 3.85Å; I21-Y25 WeakPolarHBondContact O-CB 3.43Å; I21-Y25 VanDerWaalsContact O-CD2 3.28Å; I21-Y25 WeakPolarHBondContact O-CD2 3.4Å; I21-Y25 PolarHBondContact O-N 3.47Å |
| 22 | L | 48.5 | Very low | 46.3 | Very low | 101 Ų | 101 | 98.1 Ų | 98.1 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -34.3 | 173.9 | -97.1 | 109.7 | 0 | 0 | 0 | 112 | R18 T26 | R18-L22 HydrophobicContact CG-CD1 3.83Å; R18-L22 WeakPolarHBondContact O-CB 3.24Å; R18-L22 WeakPolarHBondContact O-CD1 3.43Å; R18-L22 PolarHBondContact O-N 3.48Å; L22-T26 VanDerWaalsContact O-CB 3.29Å; L22-T26 WeakPolarHBondContact O-CB 3.32Å; L22-T26 WeakPolarHBondContact O-CG2 3.44Å; L22-T26 PolarHBondContact O-N 3.41Å; L22-T26 PolarHBondContact O-OG1 3.26Å |
| 23 | S | 49.3 | Very low | 46.2 | Very low | 47 Ų | 47 | 100.5 Ų | 100.5 | 33% | 0.329 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 173.7 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | C19 C20 I21 T26 K27 | C19-S23 WeakPolarHBondContact O-CA 3.3Å; C19-S23 WeakPolarHBondContact O-CB 3.45Å; C19-S23 PolarHBondContact O-N 2.88Å; C20-S23 PolarHBondContact O-N 3.33Å; I21-S23 VanDerWaalsContact C-N 3.35Å; I21-S23 PolarHBondContact O-N 3.48Å; S23-T26 VanDerWaalsContact CA-OG1 3.27Å; S23-T26 WeakPolarHBondContact CA-OG1 3.36Å; S23-T26 PolarHBondContact O-N 3.24Å; S23-T26 PolarHBondContact O-OG1 3.33Å; S23-K27 WeakPolarHBondContact O-CB 3.19Å; S23-K27 WeakPolarHBondContact O-CG 3.46Å; S23-K27 PolarHBondContact O-N 2.91Å |
| 24 | Y | 51.4 | Low | 46.1 | Very low | 102 Ų | 102 | 100.1 Ų | 100.1 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 171.8 | 179.4 | -96.2 | 0 | 0 | 0 | 110.9 | C20 I21 M28 | C20-Y24 WeakPolarHBondContact O-CB 3.5Å; C20-Y24 PolarHBondContact O-N 3.45Å; I21-Y24 WeakPolarHBondContact O-CB 3.21Å; I21-Y24 PolarHBondContact O-N 3.37Å; Y24-M28 HydrophobicContact CD1-SD 4.26Å; Y24-M28 HydrophobicContact CE1-CE 4.3Å; Y24-M28 HydrophobicContact CE1-CG 4.39Å; Y24-M28 HydrophobicContact CE1-SD 3.54Å; Y24-M28 VanDerWaalsContact CE1-SD 3.54Å; Y24-M28 HydrophobicContact CE2-CE 4.27Å; Y24-M28 HydrophobicContact CE2-SD 4.35Å; Y24-M28 VanDerWaalsContact O-CB 3.24Å; Y24-M28 WeakPolarHBondContact O-CB 3.39Å; Y24-M28 VanDerWaalsContact O-CG 3.29Å; Y24-M28 WeakPolarHBondContact O-CG 3.34Å; Y24-M28 PolarHBondContact O-N 3.02Å; Y24-M28 WeakPolarHBondContact OH-CE 3.49Å |
| 25 | Y | 46.8 | Very low | 46 | Very low | 157 Ų | 157 | 97.3 Ų | 97.3 | 62% | 0.616 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.8 | -30.7 | 176.3 | -89.4 | -81.8 | 0 | 0 | 0 | 113.5 | I21 A29 | I21-Y25 HydrophobicContact CG2-CD2 3.66Å; I21-Y25 HydrophobicContact CG2-CE2 3.85Å; I21-Y25 WeakPolarHBondContact O-CB 3.43Å; I21-Y25 VanDerWaalsContact O-CD2 3.28Å; I21-Y25 WeakPolarHBondContact O-CD2 3.4Å; I21-Y25 PolarHBondContact O-N 3.47Å; Y25-A29 WeakPolarHBondContact O-CA 3.42Å; Y25-A29 WeakPolarHBondContact O-CB 3.29Å; Y25-A29 PolarHBondContact O-N 3.48Å |
| 26 | T | 50.1 | Low | 46 | Very low | 79 Ų | 79 | 98.5 Ų | 98.5 | 49% | 0.485 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -79.5 | -32.7 | 174.8 | 40.6 | 0 | 0 | 0 | 0 | 112.3 | L22 S23 A29 T30 | L22-T26 VanDerWaalsContact O-CB 3.29Å; L22-T26 WeakPolarHBondContact O-CB 3.32Å; L22-T26 WeakPolarHBondContact O-CG2 3.44Å; L22-T26 PolarHBondContact O-N 3.41Å; L22-T26 PolarHBondContact O-OG1 3.26Å; S23-T26 VanDerWaalsContact CA-OG1 3.27Å; S23-T26 WeakPolarHBondContact CA-OG1 3.36Å; S23-T26 PolarHBondContact O-N 3.24Å; S23-T26 PolarHBondContact O-OG1 3.33Å; T26-A29 PolarHBondContact O-N 3.34Å; T26-T30 WeakPolarHBondContact O-CB 3.23Å; T26-T30 WeakPolarHBondContact O-CG2 3.48Å; T26-T30 PolarHBondContact O-N 3.26Å; T26-T30 PolarHBondContact O-OG1 2.84Å |
| 27 | K | 47.8 | Very low | 45.9 | Very low | 142 Ų | 142 | 105.2 Ų | 105.2 | 62% | 0.617 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -70.8 | -39.4 | 169.9 | -73.6 | 177 | 178.7 | -177.5 | 0 | 111.7 | S23 T30 A31 | S23-K27 WeakPolarHBondContact O-CB 3.19Å; S23-K27 WeakPolarHBondContact O-CG 3.46Å; S23-K27 PolarHBondContact O-N 2.91Å; K27-T30 VanDerWaalsContact CA-OG1 3.31Å; K27-T30 WeakPolarHBondContact CA-OG1 3.42Å; K27-T30 PolarHBondContact O-OG1 2.79Å; K27-T30 VanDerWaalsContact O-OG1 3.07Å; K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 2.97Å |
| 28 | M | 47 | Very low | 45.7 | Very low | 69 Ų | 69 | 104.7 Ų | 104.7 | 34% | 0.34 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.7 | -40.3 | 169.1 | -75.9 | -158.6 | 144.6 | 0 | 0 | 111.8 | Y24 A31 V32 | Y24-M28 HydrophobicContact CD1-SD 4.26Å; Y24-M28 HydrophobicContact CE1-CE 4.3Å; Y24-M28 HydrophobicContact CE1-CG 4.39Å; Y24-M28 HydrophobicContact CE1-SD 3.54Å; Y24-M28 VanDerWaalsContact CE1-SD 3.54Å; Y24-M28 HydrophobicContact CE2-CE 4.27Å; Y24-M28 HydrophobicContact CE2-SD 4.35Å; Y24-M28 VanDerWaalsContact O-CB 3.24Å; Y24-M28 WeakPolarHBondContact O-CB 3.39Å; Y24-M28 VanDerWaalsContact O-CG 3.29Å; Y24-M28 WeakPolarHBondContact O-CG 3.34Å; Y24-M28 PolarHBondContact O-N 3.02Å; Y24-M28 WeakPolarHBondContact OH-CE 3.49Å; M28-A31 PolarHBondContact O-N 3.37Å; M28-V32 VanDerWaalsContact O-CB 3.25Å; M28-V32 WeakPolarHBondContact O-CB 3.16Å; M28-V32 WeakPolarHBondContact O-CG2 3.27Å; M28-V32 PolarHBondContact O-N 3.23Å |
| 29 | A | 41.8 | Very low | 45.4 | Very low | 38 Ų | 38 | 106.1 Ų | 106.1 | 31% | 0.314 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.2 | -35 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y25 T26 V32 Q33 | Y25-A29 WeakPolarHBondContact O-CA 3.42Å; Y25-A29 WeakPolarHBondContact O-CB 3.29Å; Y25-A29 PolarHBondContact O-N 3.48Å; T26-A29 PolarHBondContact O-N 3.34Å; A29-V32 PolarHBondContact O-N 3.26Å; A29-Q33 WeakPolarHBondContact O-CB 3.39Å; A29-Q33 WeakPolarHBondContact O-CG 3.07Å; A29-Q33 PolarHBondContact O-N 3.45Å |
| 30 | T | 47.2 | Very low | 45.4 | Very low | 87 Ų | 87 | 109.1 Ų | 109.1 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.8 | -32.2 | 174.5 | 42.5 | 0 | 0 | 0 | 0 | 112.4 | T26 K27 | T26-T30 WeakPolarHBondContact O-CB 3.23Å; T26-T30 WeakPolarHBondContact O-CG2 3.48Å; T26-T30 PolarHBondContact O-N 3.26Å; T26-T30 PolarHBondContact O-OG1 2.84Å; K27-T30 VanDerWaalsContact CA-OG1 3.31Å; K27-T30 WeakPolarHBondContact CA-OG1 3.42Å; K27-T30 PolarHBondContact O-OG1 2.79Å; K27-T30 VanDerWaalsContact O-OG1 3.07Å |
| 31 | A | 44.3 | Very low | 44.9 | Very low | 54 Ų | 54 | 108.9 Ų | 108.9 | 45% | 0.446 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.3 | -35.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K27 M28 | K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 2.97Å; M28-A31 PolarHBondContact O-N 3.37Å |
| 32 | V | 47 | Very low | 44.5 | Very low | 108 Ų | 108 | 108.8 Ų | 108.8 | 66% | 0.655 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -82 | -22.8 | 178.6 | 172.4 | 0 | 0 | 0 | 0 | 112.7 | M28 A29 N34 P35 | M28-V32 VanDerWaalsContact O-CB 3.25Å; M28-V32 WeakPolarHBondContact O-CB 3.16Å; M28-V32 WeakPolarHBondContact O-CG2 3.27Å; M28-V32 PolarHBondContact O-N 3.23Å; A29-V32 PolarHBondContact O-N 3.26Å; V32-N34 VanDerWaalsContact C-N 3.31Å; V32-N34 PolarHBondContact O-N 3.42Å; V32-P35 WeakPolarHBondContact O-CD 3.07Å |
| 33 | Q | 41.3 | Very low | 44 | Very low | 151 Ų | 151 | 108 Ų | 108 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -2.2 | 177.7 | -81.1 | 173 | -17.5 | 0 | 0 | 114.3 | A29 P35 | A29-Q33 WeakPolarHBondContact O-CB 3.39Å; A29-Q33 WeakPolarHBondContact O-CG 3.07Å; A29-Q33 PolarHBondContact O-N 3.45Å; Q33-P35 VanDerWaalsContact C-CD 3.44Å |
| 34 | N | 45.2 | Very low | 44 | Very low | 126 Ų | 126 | 111.9 Ų | 111.9 | 67% | 0.674 | 65% | 0.651 | S | S | * | * | trans | -116.6 | 43.2 | -177.1 | -128.1 | 3.9 | 0 | 0 | 0 | 117.4 | V32 | V32-N34 VanDerWaalsContact C-N 3.31Å; V32-N34 PolarHBondContact O-N 3.42Å | ||
| 35 | P | 41.3 | Very low | 44 | Very low | 101 Ų | 101 | 112.7 Ų | 112.7 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -105.6 | 14.8 | 166.8 | 36.2 | -28.7 | 0 | 0 | 0 | 115 | V32 Q33 | V32-P35 WeakPolarHBondContact O-CD 3.07Å; Q33-P35 VanDerWaalsContact C-CD 3.44Å |
| 36 | L | 38.6 | Very low | 44.3 | Very low | 166 Ų | 166 | 113.2 Ų | 113.2 | 87% | 0.869 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -130.1 | 20.5 | -176 | -70.4 | 175.2 | 0 | 0 | 0 | 116.5 | ||
| 37 | K | 41.3 | Very low | 44.4 | Very low | 193 Ų | 193 | 115.8 Ų | 115.8 | 84% | 0.839 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -132.3 | 53.6 | 172.8 | -75.1 | -171.1 | -179.1 | 178.2 | 0 | 113.5 | ||
| 38 | S | 40.7 | Very low | 44.7 | Very low | 105 Ų | 105 | 112.6 Ų | 112.6 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -153.3 | 135.4 | 147.2 | 66.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 39 | Q | 40 | Very low | 45.2 | Very low | 176 Ų | 176 | 114.8 Ų | 114.8 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | trans | 82.6 | 83.6 | 163.9 | -53.1 | -174.2 | 7.5 | 0 | 0 | 117 | ||||
| 40 | S | 43.8 | Very low | 46.4 | Very low | 128 Ų | 128 | 115.4 Ų | 115.4 | 90% | 0.895 | 70% | 0.695 | S | S | * | * | trans | -44.8 | 125.4 | 133.2 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 41 | G | 38.6 | Very low | 47.9 | Very low | 70 Ų | 70 | 117 Ų | 117 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 132.6 | 105.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 42 | G | 42.6 | Very low | 49.5 | Very low | 84 Ų | 84 | 120.1 Ų | 120.1 | 87% | 0.866 | 70% | 0.702 | S | S | * | * | trans | -63.8 | 141.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 43 | A | 38.5 | Very low | 51.4 | Low | 86 Ų | 86 | 120.9 Ų | 120.9 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -170.3 | 134 | 134.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | I45 | A43-I45 PolarHBondContact O-N 3.24Š| ||
| 44 | V | 49.2 | Very low | 53.5 | Low | 127 Ų | 127 | 121.1 Ų | 121.1 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | -71.1 | 94.8 | 176.2 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | K46 | V44-K46 HydrophobicContact CG1-CB 4.26Å; V44-K46 HydrophobicContact CG1-CD 4.49Å; V44-K46 HydrophobicContact CG1-CG 4.32Å | ||
| 45 | I | 50.8 | Low | 55.3 | Low | 119 Ų | 119 | 121.7 Ų | 121.7 | 61% | 0.61 | 69% | 0.689 | S | S | * | * | trans | -111.9 | 74.2 | 159.5 | -51.5 | -175.1 | 0 | 0 | 0 | 106.2 | A43 L49 | A43-I45 PolarHBondContact O-N 3.24Å; I45-L49 HydrophobicContact CG2-CD1 4.46Å | ||
| 46 | K | 52.5 | Low | 57.4 | Low | 169 Ų | 169 | 122 Ų | 122 | 74% | 0.735 | 68% | 0.681 | S | S | * | * | trans | -112.9 | 100.6 | -177.7 | -71.3 | -176.8 | 178.4 | -179.6 | 0 | 108.5 | V44 | V44-K46 HydrophobicContact CG1-CB 4.26Å; V44-K46 HydrophobicContact CG1-CD 4.49Å; V44-K46 HydrophobicContact CG1-CG 4.32Å | ||
| 47 | N | 52.8 | Low | 59.7 | Low | 133 Ų | 133 | 115.4 Ų | 115.4 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 163.7 | -23 | 137 | -79.8 | -1.2 | 0 | 0 | 0 | 113 | ||
| 48 | S | 54.6 | Low | 62.1 | Low | 75 Ų | 75 | 110.1 Ų | 110.1 | 52% | 0.524 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -79 | -39.4 | -177.5 | 48.6 | 0 | 0 | 0 | 0 | 114.2 | G50 E51 E52 | S48-G50 VanDerWaalsContact C-N 3.34Å; S48-G50 PolarHBondContact O-N 2.97Å; S48-E51 PolarHBondContact O-N 3.32Å; S48-E52 PolarHBondContact O-N 2.59Å |
| 49 | L | 57.7 | Low | 64.4 | Low | 115 Ų | 115 | 109.6 Ų | 109.6 | 60% | 0.602 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.4 | -28.7 | -175.4 | -65.1 | 172.3 | 0 | 0 | 0 | 113.6 | I45 F53 | I45-L49 HydrophobicContact CG2-CD1 4.46Å; L49-F53 PolarHBondContact O-N 3.37Å |
| 50 | G | 67.2 | Low | 66.9 | Low | 50 Ų | 50 | 107.7 Ų | 107.7 | 52% | 0.515 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -77.2 | -32.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S48 Y54 | S48-G50 VanDerWaalsContact C-N 3.34Å; S48-G50 PolarHBondContact O-N 2.97Å; G50-Y54 WeakPolarHBondContact O-CB 3.31Å; G50-Y54 PolarHBondContact O-N 2.82Å |
| 51 | E | 76.9 | Confident | 69 | Low | 122 Ų | 122 | 102.6 Ų | 102.6 | 57% | 0.57 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.8 | -36.9 | 176.5 | -71.9 | -174.9 | -177 | 0 | 0 | 111.9 | S48 Y54 K55 | S48-E51 PolarHBondContact O-N 3.32Å; E51-Y54 PolarHBondContact O-N 2.86Å; E51-K55 WeakPolarHBondContact O-CB 3.46Å; E51-K55 VanDerWaalsContact O-CG 3.29Å; E51-K55 WeakPolarHBondContact O-CG 3.17Å; E51-K55 PolarHBondContact O-N 3.36Å |
| 52 | E | 79.1 | Confident | 71.4 | Confident | 119 Ų | 119 | 107.3 Ų | 107.3 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.7 | -47.2 | 177.2 | -165.4 | 154 | -139.2 | 0 | 0 | 111.1 | S48 Y54 K55 E56 | S48-E52 PolarHBondContact O-N 2.59Å; E52-Y54 VanDerWaalsContact C-N 3.32Å; E52-Y54 PolarHBondContact O-N 3.2Å; E52-K55 PolarHBondContact O-N 3.43Å; E52-E56 WeakPolarHBondContact O-CG 3.34Å; E52-E56 PolarHBondContact O-N 2.91Å |
| 53 | F | 86.3 | Confident | 73.5 | Confident | 124 Ų | 124 | 106.4 Ų | 106.4 | 54% | 0.544 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 172.8 | -179.5 | -98.9 | 0 | 0 | 0 | 112.9 | L49 E56 A57 | L49-F53 PolarHBondContact O-N 3.37Å; F53-E56 PolarHBondContact O-N 3.12Å; F53-A57 WeakPolarHBondContact O-CB 3.01Å; F53-A57 PolarHBondContact O-N 2.85Å |
| 54 | Y | 85.6 | Confident | 76 | Confident | 155 Ų | 155 | 107.2 Ų | 107.2 | 61% | 0.608 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67 | -41.1 | 177.5 | -175 | -98.8 | 0 | 0 | 0 | 112.1 | G50 E51 E52 A57 I58 | G50-Y54 WeakPolarHBondContact O-CB 3.31Å; G50-Y54 PolarHBondContact O-N 2.82Å; E51-Y54 PolarHBondContact O-N 2.86Å; E52-Y54 VanDerWaalsContact C-N 3.32Å; E52-Y54 PolarHBondContact O-N 3.2Å; Y54-A57 PolarHBondContact O-N 3.14Å; Y54-I58 HydrophobicContact CD1-CG1 4.22Å; Y54-I58 HydrophobicContact CE1-CD1 4.34Å; Y54-I58 HydrophobicContact CE1-CG1 3.84Å; Y54-I58 WeakPolarHBondContact O-CG1 3.39Å; Y54-I58 PolarHBondContact O-N 2.71Å |
| 55 | K | 84.2 | Confident | 77.9 | Confident | 139 Ų | 139 | 105.4 Ų | 105.4 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61 | -46.3 | 174.8 | -76.6 | 172.1 | -176.3 | 171.3 | 0 | 111.4 | E51 E52 A57 I58 E59 | E51-K55 WeakPolarHBondContact O-CB 3.46Å; E51-K55 VanDerWaalsContact O-CG 3.29Å; E51-K55 WeakPolarHBondContact O-CG 3.17Å; E51-K55 PolarHBondContact O-N 3.36Å; E52-K55 PolarHBondContact O-N 3.43Å; K55-A57 VanDerWaalsContact C-N 3.34Å; K55-A57 PolarHBondContact O-N 3.39Å; K55-I58 PolarHBondContact O-N 3.16Å; K55-E59 PolarHBondContact O-N 3.01Å |
| 56 | E | 83.9 | Confident | 79.6 | Confident | 106 Ų | 106 | 102.5 Ų | 102.5 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 175.8 | -73 | -179.8 | 176 | 0 | 0 | 112.1 | E52 F53 I58 E59 H60 | E52-E56 WeakPolarHBondContact O-CG 3.34Å; E52-E56 PolarHBondContact O-N 2.91Å; F53-E56 PolarHBondContact O-N 3.12Å; E56-I58 VanDerWaalsContact C-N 3.34Å; E56-I58 PolarHBondContact O-N 3.1Å; E56-E59 PolarHBondContact O-N 3.42Å; E56-H60 WeakPolarHBondContact O-CB 3.45Å; E56-H60 PolarHBondContact O-N 3.2Å; E56-H60 PolarHBondContact O-ND1 3.49Å |
| 57 | A | 88.1 | Confident | 81.4 | Confident | 29 Ų | 29 | 100.9 Ų | 100.9 | 24% | 0.24 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F53 Y54 K55 C61 | F53-A57 WeakPolarHBondContact O-CB 3.01Å; F53-A57 PolarHBondContact O-N 2.85Å; Y54-A57 PolarHBondContact O-N 3.14Å; K55-A57 VanDerWaalsContact C-N 3.34Å; K55-A57 PolarHBondContact O-N 3.39Å; A57-C61 PolarHBondContact O-N 3.43Å; A57-C61 PolarHBondContact O-SG 3.06Å |
| 58 | I | 91.6 | Very high | 83.2 | Confident | 82 Ų | 82 | 98.7 Ų | 98.7 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 176.2 | -66.2 | -64 | 0 | 0 | 0 | 111.3 | Y54 K55 E56 H60 C61 R62 | Y54-I58 HydrophobicContact CD1-CG1 4.22Å; Y54-I58 HydrophobicContact CE1-CD1 4.34Å; Y54-I58 HydrophobicContact CE1-CG1 3.84Å; Y54-I58 WeakPolarHBondContact O-CG1 3.39Å; Y54-I58 PolarHBondContact O-N 2.71Å; K55-I58 PolarHBondContact O-N 3.16Å; E56-I58 VanDerWaalsContact C-N 3.34Å; E56-I58 PolarHBondContact O-N 3.1Å; I58-H60 PolarHBondContact O-N 3.36Å; I58-C61 WeakPolarHBondContact O-CB 3.26Å; I58-C61 PolarHBondContact O-N 3.09Å; I58-R62 WeakPolarHBondContact O-CB 3.48Å; I58-R62 PolarHBondContact O-N 2.6Å |
| 59 | E | 88.8 | Confident | 84.9 | Confident | 94 Ų | 94 | 99.2 Ų | 99.2 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 178.4 | -159 | 64.5 | -141.8 | 0 | 0 | 111.5 | K55 E56 R62 S63 | K55-E59 PolarHBondContact O-N 3.01Å; E56-E59 PolarHBondContact O-N 3.42Å; E59-R62 WeakPolarHBondContact O-CB 3.45Å; E59-R62 PolarHBondContact O-N 3.44Å; E59-R62 IonicContact OE1-NH1 2.79Å; E59-S63 WeakPolarHBondContact O-CB 3.29Å; E59-S63 PolarHBondContact O-N 3.18Å; E59-S63 PolarHBondContact O-OG 3.31Å; E59-S63 VanDerWaalsContact O-OG 3.06Å |
| 60 | H | 91.8 | Very high | 86.3 | Confident | 135 Ų | 135 | 95.9 Ų | 95.9 | 63% | 0.625 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 171 | -73 | 156.7 | 0 | 0 | 0 | 112.3 | E56 I58 R62 S63 Y64 | E56-H60 WeakPolarHBondContact O-CB 3.45Å; E56-H60 PolarHBondContact O-N 3.2Å; E56-H60 PolarHBondContact O-ND1 3.49Å; I58-H60 PolarHBondContact O-N 3.36Å; H60-R62 VanDerWaalsContact C-N 3.33Å; H60-R62 PolarHBondContact O-N 3.19Å; H60-S63 PolarHBondContact O-N 3.5Å; H60-Y64 WeakPolarHBondContact O-CB 3.36Å; H60-Y64 PolarHBondContact O-N 3.36Å |
| 61 | C | 89.3 | Confident | 87.4 | Confident | 22 Ų | 22 | 96.3 Ų | 96.3 | 15% | 0.149 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.9 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | A57 I58 Y64 N65 | A57-C61 PolarHBondContact O-N 3.43Å; A57-C61 PolarHBondContact O-SG 3.06Å; I58-C61 WeakPolarHBondContact O-CB 3.26Å; I58-C61 PolarHBondContact O-N 3.09Å; C61-Y64 PolarHBondContact O-N 3.24Å; C61-N65 WeakPolarHBondContact O-CB 3.31Å; C61-N65 PolarHBondContact O-N 2.67Å; C61-N65 PolarHBondContact O-ND2 2.65Å |
| 62 | R | 88.6 | Confident | 88 | Confident | 168 Ų | 168 | 97.6 Ų | 97.6 | 63% | 0.634 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.1 | -48.8 | 176.9 | -175.2 | -172.8 | -175.1 | -175.4 | 3.5 | 111.6 | I58 E59 H60 Y64 N65 A66 | I58-R62 WeakPolarHBondContact O-CB 3.48Å; I58-R62 PolarHBondContact O-N 2.6Å; E59-R62 WeakPolarHBondContact O-CB 3.45Å; E59-R62 PolarHBondContact O-N 3.44Å; E59-R62 IonicContact OE1-NH1 2.79Å; H60-R62 VanDerWaalsContact C-N 3.33Å; H60-R62 PolarHBondContact O-N 3.19Å; R62-Y64 VanDerWaalsContact C-N 3.34Å; R62-Y64 PolarHBondContact O-N 3.29Å; R62-N65 PolarHBondContact O-N 3.21Å; R62-A66 WeakPolarHBondContact O-CB 3.44Å; R62-A66 PolarHBondContact O-N 3.43Å |
| 63 | S | 86.7 | Confident | 88.3 | Confident | 66 Ų | 66 | 95.6 Ų | 95.6 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 178.9 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | E59 H60 A66 R67 | E59-S63 WeakPolarHBondContact O-CB 3.29Å; E59-S63 PolarHBondContact O-N 3.18Å; E59-S63 PolarHBondContact O-OG 3.31Å; E59-S63 VanDerWaalsContact O-OG 3.06Å; H60-S63 PolarHBondContact O-N 3.5Å; S63-A66 PolarHBondContact O-N 3.18Å; S63-R67 PolarHBondContact O-N 3.43Å |
| 64 | Y | 89.6 | Confident | 88.3 | Confident | 102 Ų | 102 | 94.8 Ų | 94.8 | 40% | 0.4 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 174.1 | -179.9 | -96 | 0 | 0 | 0 | 112.2 | H60 C61 R62 A66 R67 L68 | H60-Y64 WeakPolarHBondContact O-CB 3.36Å; H60-Y64 PolarHBondContact O-N 3.36Å; C61-Y64 PolarHBondContact O-N 3.24Å; R62-Y64 VanDerWaalsContact C-N 3.34Å; R62-Y64 PolarHBondContact O-N 3.29Å; Y64-A66 VanDerWaalsContact C-N 3.33Å; Y64-A66 PolarHBondContact O-N 3.13Å; Y64-R67 PolarHBondContact O-N 3.3Å; Y64-L68 HydrophobicContact CE1-CD2 4.49Å; Y64-L68 WeakPolarHBondContact O-CB 3.32Å; Y64-L68 PolarHBondContact O-N 3.43Å |
| 65 | N | 89.6 | Confident | 88.4 | Confident | 89 Ų | 89 | 95 Ų | 95 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 177.7 | -73.1 | -20.6 | 0 | 0 | 0 | 111.8 | C61 R62 L68 C69 | C61-N65 WeakPolarHBondContact O-CB 3.31Å; C61-N65 PolarHBondContact O-N 2.67Å; C61-N65 PolarHBondContact O-ND2 2.65Å; R62-N65 PolarHBondContact O-N 3.21Å; N65-L68 PolarHBondContact O-N 2.91Å; N65-C69 PolarHBondContact O-N 2.79Å; N65-C69 PolarHBondContact O-SG 3.46Å; N65-C69 VanDerWaalsContact O-SG 3.37Å |
| 66 | A | 87.6 | Confident | 88.4 | Confident | 58 Ų | 58 | 91.3 Ų | 91.3 | 48% | 0.479 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | R62 S63 Y64 L68 C69 A70 | R62-A66 WeakPolarHBondContact O-CB 3.44Å; R62-A66 PolarHBondContact O-N 3.43Å; S63-A66 PolarHBondContact O-N 3.18Å; Y64-A66 VanDerWaalsContact C-N 3.33Å; Y64-A66 PolarHBondContact O-N 3.13Å; A66-L68 PolarHBondContact O-N 3.5Å; A66-C69 PolarHBondContact O-N 3.47Å; A66-A70 PolarHBondContact O-N 2.83Å |
| 67 | R | 90.5 | Very high | 88.7 | Confident | 135 Ų | 135 | 89.9 Ų | 89.9 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61 | -44 | 175.8 | -174.6 | 173.4 | 62.9 | -176.4 | -1.1 | 111.8 | S63 Y64 C69 A70 E71 | S63-R67 PolarHBondContact O-N 3.43Å; Y64-R67 PolarHBondContact O-N 3.3Å; R67-C69 VanDerWaalsContact C-N 3.33Å; R67-C69 PolarHBondContact O-N 3.05Å; R67-A70 PolarHBondContact O-N 3.19Å; R67-E71 VanDerWaalsContact O-CB 3.28Å; R67-E71 WeakPolarHBondContact O-CB 3.1Å; R67-E71 PolarHBondContact O-N 2.79Å |
| 68 | L | 90.3 | Very high | 88.7 | Confident | 88 Ų | 88 | 94.1 Ų | 94.1 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 178.2 | -169.7 | 71 | 0 | 0 | 0 | 112 | Y64 N65 A66 R72 | Y64-L68 HydrophobicContact CE1-CD2 4.49Å; Y64-L68 WeakPolarHBondContact O-CB 3.32Å; Y64-L68 PolarHBondContact O-N 3.43Å; N65-L68 PolarHBondContact O-N 2.91Å; A66-L68 PolarHBondContact O-N 3.5Å; L68-R72 WeakPolarHBondContact O-CB 3.35Å; L68-R72 PolarHBondContact O-N 3.37Å |
| 69 | C | 90.4 | Very high | 88.6 | Confident | 85 Ų | 85 | 96.3 Ų | 96.3 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 174.6 | -74.8 | 0 | 0 | 0 | 0 | 112.2 | N65 A66 R67 R72 S73 | N65-C69 PolarHBondContact O-N 2.79Å; N65-C69 PolarHBondContact O-SG 3.46Å; N65-C69 VanDerWaalsContact O-SG 3.37Å; A66-C69 PolarHBondContact O-N 3.47Å; R67-C69 VanDerWaalsContact C-N 3.33Å; R67-C69 PolarHBondContact O-N 3.05Å; C69-R72 PolarHBondContact O-N 2.69Å; C69-S73 PolarHBondContact O-N 3.4Å |
| 70 | A | 86.3 | Confident | 88.6 | Confident | 45 Ų | 45 | 93.2 Ų | 93.2 | 37% | 0.372 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A66 R67 R72 S73 M74 | A66-A70 PolarHBondContact O-N 2.83Å; R67-A70 PolarHBondContact O-N 3.19Å; A70-R72 VanDerWaalsContact C-N 3.33Å; A70-R72 PolarHBondContact O-N 2.96Å; A70-S73 PolarHBondContact O-N 3.04Å; A70-S73 PolarHBondContact O-OG 3.37Å; A70-M74 WeakPolarHBondContact O-CG 3.25Å; A70-M74 PolarHBondContact O-N 3.38Å |
| 71 | E | 90.1 | Very high | 88.4 | Confident | 60 Ų | 60 | 92.5 Ų | 92.5 | 28% | 0.28 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -55.6 | -42.7 | 175.8 | -90.6 | -163.3 | -138.6 | 0 | 0 | 113.8 | R67 M74 R75 | R67-E71 VanDerWaalsContact O-CB 3.28Å; R67-E71 WeakPolarHBondContact O-CB 3.1Å; R67-E71 PolarHBondContact O-N 2.79Å; E71-M74 HydrophobicContact CG-CE 4.23Å; E71-R75 WeakPolarHBondContact O-CG 3.3Å; E71-R75 PolarHBondContact O-N 2.73Å; E71-R75 PolarHBondContact O-NH1 3.16Å; E71-R75 IonicContact OE2-CZ 3.43Å; E71-R75 VanDerWaalsContact OE2-CZ 3.31Å; E71-R75 IonicContact OE2-NH1 2.88Å; E71-R75 PolarHBondContact OE2-NH1 2.85Å; E71-R75 IonicContact OE2-NH2 2.91Å; E71-R75 PolarHBondContact OE2-NH2 3.35Å |
| 72 | R | 88.8 | Confident | 88.6 | Confident | 149 Ų | 149 | 100 Ų | 100 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -41.5 | 175.1 | 179.7 | -179.7 | 168.4 | -142.5 | 1.1 | 111.4 | L68 C69 A70 M74 R75 L76 N89 | L68-R72 WeakPolarHBondContact O-CB 3.35Å; L68-R72 PolarHBondContact O-N 3.37Å; C69-R72 PolarHBondContact O-N 2.69Å; A70-R72 VanDerWaalsContact C-N 3.33Å; A70-R72 PolarHBondContact O-N 2.96Å; R72-M74 VanDerWaalsContact C-N 3.35Å; R72-R75 PolarHBondContact O-N 2.68Å; R72-L76 PolarHBondContact O-N 3.43Å; R72-N89 PolarHBondContact NH2-OD1 3Å |
| 73 | S | 86.6 | Confident | 88.7 | Confident | 76 Ų | 76 | 96.1 Ų | 96.1 | 53% | 0.531 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | -179.7 | 74.4 | 0 | 0 | 0 | 0 | 112.6 | C69 A70 R75 L76 | C69-S73 PolarHBondContact O-N 3.4Å; A70-S73 PolarHBondContact O-N 3.04Å; A70-S73 PolarHBondContact O-OG 3.37Å; S73-R75 VanDerWaalsContact C-N 3.29Å; S73-R75 PolarHBondContact O-N 2.97Å; S73-L76 PolarHBondContact O-N 3.49Å |
| 74 | M | 85.8 | Confident | 88.8 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.9 | -24.1 | 178.4 | -69.4 | -168.8 | -68.2 | 0 | 0 | 113.6 | A70 E71 R72 D236 | A70-M74 WeakPolarHBondContact O-CG 3.25Å; A70-M74 PolarHBondContact O-N 3.38Å; E71-M74 HydrophobicContact CG-CE 4.23Å; R72-M74 VanDerWaalsContact C-N 3.35Å; M74-D236 VanDerWaalsContact SD-OD2 3.42Å |
| 75 | R | 86.9 | Confident | 88.9 | Confident | 160 Ų | 160 | 94.9 Ų | 94.9 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -2.2 | -179 | -65.9 | -176.1 | -172.2 | 107.2 | -2.2 | 113.7 | E71 R72 S73 P77 | E71-R75 WeakPolarHBondContact O-CG 3.3Å; E71-R75 PolarHBondContact O-N 2.73Å; E71-R75 PolarHBondContact O-NH1 3.16Å; E71-R75 IonicContact OE2-CZ 3.43Å; E71-R75 VanDerWaalsContact OE2-CZ 3.31Å; E71-R75 IonicContact OE2-NH1 2.88Å; E71-R75 PolarHBondContact OE2-NH1 2.85Å; E71-R75 IonicContact OE2-NH2 2.91Å; E71-R75 PolarHBondContact OE2-NH2 3.35Å; R72-R75 PolarHBondContact O-N 2.68Å; S73-R75 VanDerWaalsContact C-N 3.29Å; S73-R75 PolarHBondContact O-N 2.97Å; R75-P77 CarbonylContact O-C 3.49Å |
| 76 | L | 85.6 | Confident | 89 | Confident | 61 Ų | 61 | 93.2 Ų | 93.2 | 32% | 0.319 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 142.4 | 173.2 | -71.7 | 173.7 | 0 | 0 | 0 | 110.3 | R72 S73 | R72-L76 PolarHBondContact O-N 3.43Å; S73-L76 PolarHBondContact O-N 3.49Å |
| 77 | P | 89.1 | Confident | 89.1 | Confident | 75 Ų | 75 | 94.5 Ų | 94.5 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | S | Bend | cis | -77 | 145.4 | -1.8 | 32.1 | -34.8 | 0 | 0 | 0 | 113 | R75 A86 Q87 | R75-P77 CarbonylContact O-C 3.49Å; P77-A86 HydrophobicContact CB-CB 4.16Å; P77-A86 HydrophobicContact CG-CB 4.41Å; P77-Q87 CarbonylContact C-O 3.35Å; P77-Q87 VanDerWaalsContact CA-O 3.29Å; P77-Q87 WeakPolarHBondContact CA-O 3.43Å; P77-Q87 WeakPolarHBondContact CB-O 3.31Å |
| 78 | F | 88.8 | Confident | 89.1 | Confident | 119 Ų | 119 | 91.7 Ų | 91.7 | 52% | 0.522 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127.1 | 175.7 | 172 | -103.2 | 0 | 0 | 0 | 110.5 | D80 A86 Q87 | F78-D80 HydrophobicContact CE1-CB 4.13Å; F78-A86 CarbonylContact O-C 3.59Å; F78-A86 WeakPolarHBondContact O-CA 3.35Å; F78-Q87 HydrophobicContact CD1-CB 4.49Å; F78-Q87 PolarHBondContact N-O 2.83Å; F78-Q87 PolarHBondContact O-N 3.25Å |
| 79 | L | 89.8 | Confident | 89.1 | Confident | 127 Ų | 127 | 91.6 Ų | 91.6 | 67% | 0.665 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 110.3 | 177.7 | -66.8 | 168.1 | 0 | 0 | 0 | 110 | A86 | L79-A86 HydrophobicContact CD2-CB 3.79Å |
| 80 | D | 89.1 | Confident | 88.9 | Confident | 30 Ų | 30 | 91 Ų | 91 | 16% | 0.16 | 51% | 0.509 | C | S | . | . | trans | -79.5 | 118 | 173.9 | 176.8 | 3 | 0 | 0 | 0 | 110.2 | F78 Q82 T83 G84 V85 Q87 | F78-D80 HydrophobicContact CE1-CB 4.13Å; D80-Q82 VanDerWaalsContact C-N 3.32Å; D80-Q82 PolarHBondContact O-N 3.03Å; D80-Q82 PolarHBondContact OD1-N 2.88Å; D80-T83 WeakPolarHBondContact CB-OG1 3.2Å; D80-T83 WeakPolarHBondContact OD2-CB 3.5Å; D80-T83 VanDerWaalsContact OD2-CG2 3.23Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.46Å; D80-T83 PolarHBondContact OD2-OG1 2.86Å; D80-G84 VanDerWaalsContact O-CA 3.24Å; D80-G84 WeakPolarHBondContact O-CA 3.35Å; D80-G84 PolarHBondContact O-N 2.84Å; D80-V85 PolarHBondContact N-O 3.45Å; D80-V85 VanDerWaalsContact N-O 3.09Å; D80-Q87 PolarHBondContact OD2-NE2 2.83Å | ||
| 81 | S | 87.9 | Confident | 88.9 | Confident | 119 Ų | 119 | 94.6 Ų | 94.6 | 83% | 0.832 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -23.1 | -176 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 82 | Q | 93.1 | Very high | 88.8 | Confident | 181 Ų | 181 | 97.6 Ų | 97.6 | 85% | 0.846 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -39.7 | -180 | -65.7 | -177.2 | 6.2 | 0 | 0 | 111.8 | D80 | D80-Q82 VanDerWaalsContact C-N 3.32Å; D80-Q82 PolarHBondContact O-N 3.03Å; D80-Q82 PolarHBondContact OD1-N 2.88Å |
| 83 | T | 90.6 | Very high | 88.9 | Confident | 85 Ų | 85 | 100.6 Ų | 100.6 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -15.7 | -177.2 | 65.4 | 0 | 0 | 0 | 0 | 113.5 | D80 V85 | D80-T83 WeakPolarHBondContact CB-OG1 3.2Å; D80-T83 WeakPolarHBondContact OD2-CB 3.5Å; D80-T83 VanDerWaalsContact OD2-CG2 3.23Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.46Å; D80-T83 PolarHBondContact OD2-OG1 2.86Å; T83-V85 PolarHBondContact O-N 3.15Å; T83-V85 PolarHBondContact OG1-N 3.34Å |
| 84 | G | 88.3 | Confident | 89.1 | Confident | 66 Ų | 66 | 100.5 Ų | 100.5 | 68% | 0.68 | 53% | 0.534 | S | S | * | . | trans | 68.3 | 9.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D80 | D80-G84 VanDerWaalsContact O-CA 3.24Å; D80-G84 WeakPolarHBondContact O-CA 3.35Å; D80-G84 PolarHBondContact O-N 2.84Å | ||
| 85 | V | 91.4 | Very high | 89.4 | Confident | 77 Ų | 77 | 101.1 Ų | 101.1 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | trans | -87 | 128.7 | -176.2 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | D80 T83 Q87 | D80-V85 PolarHBondContact N-O 3.45Å; D80-V85 VanDerWaalsContact N-O 3.09Å; T83-V85 PolarHBondContact O-N 3.15Å; T83-V85 PolarHBondContact OG1-N 3.34Å; V85-Q87 HydrophobicContact CB-CG 4.36Å; V85-Q87 HydrophobicContact CG1-CG 4.03Å; V85-Q87 PolarHBondContact O-N 3.36Å; V85-Q87 VanDerWaalsContact O-N 3.14Å | ||
| 86 | A | 92.4 | Very high | 89.6 | Confident | 54 Ų | 54 | 101.6 Ų | 101.6 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 93.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P77 F78 L79 | P77-A86 HydrophobicContact CB-CB 4.16Å; P77-A86 HydrophobicContact CG-CB 4.41Å; F78-A86 CarbonylContact O-C 3.59Å; F78-A86 WeakPolarHBondContact O-CA 3.35Å; L79-A86 HydrophobicContact CD2-CB 3.79Å |
| 87 | Q | 90.1 | Very high | 90 | Very high | 85 Ų | 85 | 104.1 Ų | 104.1 | 40% | 0.397 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.5 | 137.9 | -176.6 | -61.2 | -176.6 | -0.5 | 0 | 0 | 111.6 | P77 F78 D80 V85 | P77-Q87 CarbonylContact C-O 3.35Å; P77-Q87 VanDerWaalsContact CA-O 3.29Å; P77-Q87 WeakPolarHBondContact CA-O 3.43Å; P77-Q87 WeakPolarHBondContact CB-O 3.31Å; F78-Q87 HydrophobicContact CD1-CB 4.49Å; F78-Q87 PolarHBondContact N-O 2.83Å; F78-Q87 PolarHBondContact O-N 3.25Å; D80-Q87 PolarHBondContact OD2-NE2 2.83Å; V85-Q87 HydrophobicContact CB-CG 4.36Å; V85-Q87 HydrophobicContact CG1-CG 4.03Å; V85-Q87 PolarHBondContact O-N 3.36Å; V85-Q87 VanDerWaalsContact O-N 3.14Å |
| 88 | S | 90.6 | Very high | 90.2 | Very high | 75 Ų | 75 | 104.3 Ų | 104.3 | 52% | 0.524 | 55% | 0.551 | S | S | . | * | trans | -125.1 | -174 | 172.7 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | C90 | S88-C90 PolarHBondContact O-N 2.97Å; S88-C90 VanDerWaalsContact O-N 3.1Å | ||
| 89 | N | 89.8 | Confident | 90.5 | Very high | 86 Ų | 86 | 103.5 Ų | 103.5 | 46% | 0.46 | 54% | 0.544 | S | S | . | . | trans | -53.6 | 120.6 | 173.2 | -67.3 | -28.3 | 0 | 0 | 0 | 110.6 | R72 | R72-N89 PolarHBondContact NH2-OD1 3Š| ||
| 90 | C | 86.1 | Confident | 90.7 | Very high | 72 Ų | 72 | 98.7 Ų | 98.7 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | trans | -112.2 | 155.7 | 178.9 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | S88 I92 | S88-C90 PolarHBondContact O-N 2.97Å; S88-C90 VanDerWaalsContact O-N 3.1Å; C90-I92 HydrophobicContact CB-CG2 4.48Å | ||
| 91 | Y | 87.3 | Confident | 91 | Very high | 121 Ų | 121 | 102 Ų | 102 | 48% | 0.475 | 55% | 0.549 | S | S | . | . | trans | -118.6 | 30.9 | -178.2 | -58.7 | -84.6 | 0 | 0 | 0 | 111.1 | W93 M94 R114 | Y91-W93 VanDerWaalsContact C-N 3.34Å; Y91-M94 WeakPolarHBondContact O-CE 3.41Å; Y91-R114 PolarHBondContact OH-NH1 2.9Å; Y91-R114 PolarHBondContact OH-NH2 3.33Å; Y91-R114 VanDerWaalsContact OH-NH2 3.16Å | ||
| 92 | I | 87.8 | Confident | 91.3 | Very high | 124 Ų | 124 | 97.7 Ų | 97.7 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | trans | -77 | -26.1 | -179.6 | 63.6 | -179.8 | 0 | 0 | 0 | 111.9 | C90 M94 | C90-I92 HydrophobicContact CB-CG2 4.48Å; I92-M94 PolarHBondContact O-N 3.06Å | ||
| 93 | W | 89.2 | Confident | 91.2 | Very high | 211 Ų | 211 | 96.6 Ų | 96.6 | 80% | 0.799 | 52% | 0.517 | S | S | * | . | trans | -85.7 | 104 | -179.2 | -56.8 | 108.3 | 0 | 0 | 0 | 109.5 | Y91 | Y91-W93 VanDerWaalsContact C-N 3.34Š| ||
| 94 | M | 90.9 | Very high | 91.4 | Very high | 74 Ų | 74 | 94.9 Ų | 94.9 | 37% | 0.365 | 51% | 0.511 | S | S | . | . | trans | -112.4 | 131 | 177.3 | -62.2 | -64.5 | -167.5 | 0 | 0 | 110.2 | Y91 I92 Y111 | Y91-M94 WeakPolarHBondContact O-CE 3.41Å; I92-M94 PolarHBondContact O-N 3.06Å; M94-Y111 HydrophobicContact CB-CD1 3.56Å; M94-Y111 HydrophobicContact CB-CE1 3.81Å; M94-Y111 HydrophobicContact CB-CG 4.38Å; M94-Y111 HydrophobicContact CG-CD1 3.98Å; M94-Y111 HydrophobicContact CG-CG 4.37Å | ||
| 95 | E | 92 | Very high | 91.7 | Very high | 122 Ų | 122 | 98.3 Ų | 98.3 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | trans | -72 | 161.9 | 174.3 | -66.4 | 172.9 | -167.9 | 0 | 0 | 112.8 | N97 H98 | E95-N97 VanDerWaalsContact C-N 3.26Å; E95-N97 WeakPolarHBondContact CB-OD1 3.18Å; E95-N97 PolarHBondContact O-N 3.06Å; E95-N97 PolarHBondContact OE2-ND2 3.47Å; E95-N97 PolarHBondContact OE2-OD1 3.01Å; E95-H98 WeakPolarHBondContact CB-ND1 3.39Å; E95-H98 PolarHBondContact N-ND1 2.94Å; E95-H98 VanDerWaalsContact N-ND1 3.2Å; E95-H98 WeakPolarHBondContact O-CB 3.39Å; E95-H98 PolarHBondContact O-N 3.48Å | ||
| 96 | K | 92.3 | Very high | 91.8 | Very high | 169 Ų | 169 | 98.7 Ų | 98.7 | 74% | 0.735 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -62.2 | -30.4 | -178.8 | -173.5 | -178.8 | 176.6 | -175 | 0 | 113.2 | H98 R99 | K96-H98 VanDerWaalsContact C-N 3.25Å; K96-H98 PolarHBondContact O-N 3.21Å; K96-R99 WeakPolarHBondContact O-CB 3.35Å; K96-R99 PolarHBondContact O-N 3.18Å |
| 97 | N | 94.2 | Very high | 91.9 | Very high | 115 Ų | 115 | 100 Ų | 100 | 62% | 0.615 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -65.4 | -24.8 | 174.8 | 55.5 | 5.4 | 0 | 0 | 0 | 113 | E95 R99 | E95-N97 VanDerWaalsContact C-N 3.26Å; E95-N97 WeakPolarHBondContact CB-OD1 3.18Å; E95-N97 PolarHBondContact O-N 3.06Å; E95-N97 PolarHBondContact OE2-ND2 3.47Å; E95-N97 PolarHBondContact OE2-OD1 3.01Å; N97-R99 PolarHBondContact O-N 3.01Å |
| 98 | H | 92.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 102.6 Ų | 102.6 | 37% | 0.366 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -80.5 | -3.9 | 175.2 | -56.3 | 114.4 | 0 | 0 | 0 | 113 | E95 K96 G100 Y111 P112 | E95-H98 WeakPolarHBondContact CB-ND1 3.39Å; E95-H98 PolarHBondContact N-ND1 2.94Å; E95-H98 VanDerWaalsContact N-ND1 3.2Å; E95-H98 WeakPolarHBondContact O-CB 3.39Å; E95-H98 PolarHBondContact O-N 3.48Å; K96-H98 VanDerWaalsContact C-N 3.25Å; K96-H98 PolarHBondContact O-N 3.21Å; H98-G100 PolarHBondContact O-N 2.93Å; H98-Y111 HydrophobicContact CB-CD1 4.15Å; H98-P112 HydrophobicContact CB-CG 4.39Å; H98-P112 VanDerWaalsContact O-CD 3.23Å; H98-P112 WeakPolarHBondContact O-CD 3.3Å |
| 99 | R | 95.4 | Very high | 92.3 | Very high | 102 Ų | 102 | 104.9 Ų | 104.9 | 39% | 0.385 | 55% | 0.552 | S | S | . | * | trans | -78.4 | 107.4 | -179.5 | -172.7 | -172.5 | -69.6 | -168.3 | 0.3 | 110 | K96 N97 Y109 Y111 | K96-R99 WeakPolarHBondContact O-CB 3.35Å; K96-R99 PolarHBondContact O-N 3.18Å; N97-R99 PolarHBondContact O-N 3.01Å; R99-Y109 HydrophobicContact CG-CD1 3.51Å; R99-Y109 HydrophobicContact CG-CD2 4.36Å; R99-Y109 HydrophobicContact CG-CE1 4.17Å; R99-Y109 HydrophobicContact CG-CG 3.61Å; R99-Y111 HydrophobicContact CB-CE1 3.93Å; R99-Y111 HydrophobicContact CG-CE1 4.42Å; R99-Y111 PolarHBondContact NE-OH 3.47Å | ||
| 100 | G | 93.7 | Very high | 92.6 | Very high | 26 Ų | 26 | 102.1 Ų | 102.1 | 27% | 0.268 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 170.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H98 Y109 T110 | H98-G100 PolarHBondContact O-N 2.93Å; G100-Y109 WeakPolarHBondContact O-CA 3.5Å; G100-T110 WeakPolarHBondContact CA-O 3.41Å; G100-T110 PolarHBondContact N-O 3.01Å; G100-T110 PolarHBondContact O-N 3.16Å |
| 101 | P | 94.8 | Very high | 93 | Very high | 100 Ų | 100 | 102.9 Ų | 102.9 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 152.4 | 170.8 | 28.3 | -34.2 | 0 | 0 | 0 | 111.3 | T110 | P101-T110 WeakPolarHBondContact O-CB 3.25Å; P101-T110 PolarHBondContact O-OG1 3.35Å |
| 102 | G | 94.6 | Very high | 93.2 | Very high | 27 Ų | 27 | 100.8 Ų | 100.8 | 28% | 0.278 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 138.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q107 L108 T110 | G102-Q107 WeakPolarHBondContact CA-O 3.13Å; G102-L108 PolarHBondContact N-O 3.42Å; G102-T110 WeakPolarHBondContact CA-OG1 3.38Å |
| 103 | H | 91.8 | Very high | 93.3 | Very high | 158 Ų | 158 | 99.5 Ų | 99.5 | 73% | 0.731 | 54% | 0.541 | S | S | * | . | trans | -95.6 | -25.6 | 176.9 | -67.1 | -69.4 | 0 | 0 | 0 | 113.5 | T110 | H103-T110 PolarHBondContact CD2-OG1 2.78Å; H103-T110 VanDerWaalsContact CD2-OG1 3.24Å; H103-T110 PolarHBondContact N-OG1 3.43Å | ||
| 104 | A | 93.8 | Very high | 93.2 | Very high | 49 Ų | 49 | 96.7 Ų | 96.7 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -101.4 | 152.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G106 Q107 | A104-G106 PolarHBondContact O-N 3.28Å; A104-Q107 HydrophobicContact CB-CB 4.25Å; A104-Q107 VanDerWaalsContact O-CB 3.26Å; A104-Q107 WeakPolarHBondContact O-CB 3.43Å; A104-Q107 PolarHBondContact O-N 2.81Å |
| 105 | P | 94.5 | Very high | 93.3 | Very high | 138 Ų | 138 | 99.7 Ų | 99.7 | 90% | 0.896 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 127.8 | 173.3 | -24.5 | 34 | 0 | 0 | 0 | 111.8 | Q107 | P105-Q107 VanDerWaalsContact C-N 3.29Å; P105-Q107 PolarHBondContact O-N 3.14Å |
| 106 | G | 94.2 | Very high | 93.1 | Very high | 85 Ų | 85 | 104.2 Ų | 104.2 | 88% | 0.876 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.1 | -6.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A104 | A104-G106 PolarHBondContact O-N 3.28Š|
| 107 | Q | 95.3 | Very high | 93 | Very high | 81 Ų | 81 | 107.2 Ų | 107.2 | 38% | 0.379 | 58% | 0.575 | S | S | . | * | trans | -83.6 | 122 | 173.4 | -170.6 | 179.3 | -3.8 | 0 | 0 | 109.9 | G102 A104 P105 Y109 T110 | G102-Q107 WeakPolarHBondContact CA-O 3.13Å; A104-Q107 HydrophobicContact CB-CB 4.25Å; A104-Q107 VanDerWaalsContact O-CB 3.26Å; A104-Q107 WeakPolarHBondContact O-CB 3.43Å; A104-Q107 PolarHBondContact O-N 2.81Å; P105-Q107 VanDerWaalsContact C-N 3.29Å; P105-Q107 PolarHBondContact O-N 3.14Å; Q107-Y109 WeakPolarHBondContact CG-O 3.44Å; Q107-Y109 PolarHBondContact NE2-O 3.16Å; Q107-T110 PolarHBondContact NE2-OG1 2.86Å; Q107-T110 VanDerWaalsContact NE2-OG1 3.12Å | ||
| 108 | L | 93.1 | Very high | 92.7 | Very high | 141 Ų | 141 | 110 Ų | 110 | 74% | 0.738 | 58% | 0.582 | S | S | * | * | trans | -78.8 | -40.7 | 179.1 | -65.9 | 174.2 | 0 | 0 | 0 | 112.3 | G102 | G102-L108 PolarHBondContact N-O 3.42Š| ||
| 109 | Y | 95.8 | Very high | 92 | Very high | 122 Ų | 122 | 114.4 Ų | 114.4 | 48% | 0.478 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -139.7 | 150.4 | -174.8 | -55.9 | -58.6 | 0 | 0 | 0 | 112 | R99 G100 Q107 | R99-Y109 HydrophobicContact CG-CD1 3.51Å; R99-Y109 HydrophobicContact CG-CD2 4.36Å; R99-Y109 HydrophobicContact CG-CE1 4.17Å; R99-Y109 HydrophobicContact CG-CG 3.61Å; G100-Y109 WeakPolarHBondContact O-CA 3.5Å; Q107-Y109 WeakPolarHBondContact CG-O 3.44Å; Q107-Y109 PolarHBondContact NE2-O 3.16Å |
| 110 | T | 94.9 | Very high | 91.2 | Very high | 29 Ų | 29 | 120.7 Ų | 120.7 | 18% | 0.178 | 62% | 0.624 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.2 | 168.8 | -47.4 | 0 | 0 | 0 | 0 | 109.9 | G100 P101 G102 H103 Q107 | G100-T110 WeakPolarHBondContact CA-O 3.41Å; G100-T110 PolarHBondContact N-O 3.01Å; G100-T110 PolarHBondContact O-N 3.16Å; P101-T110 WeakPolarHBondContact O-CB 3.25Å; P101-T110 PolarHBondContact O-OG1 3.35Å; G102-T110 WeakPolarHBondContact CA-OG1 3.38Å; H103-T110 PolarHBondContact CD2-OG1 2.78Å; H103-T110 VanDerWaalsContact CD2-OG1 3.24Å; H103-T110 PolarHBondContact N-OG1 3.43Å; Q107-T110 PolarHBondContact NE2-OG1 2.86Å; Q107-T110 VanDerWaalsContact NE2-OG1 3.12Å |
| 111 | Y | 94.1 | Very high | 89.8 | Confident | 87 Ų | 87 | 129.1 Ų | 129.1 | 34% | 0.341 | 65% | 0.648 | S | S | . | * | trans | -114.5 | 152 | 170.3 | -68.9 | -88.6 | 0 | 0 | 0 | 110.2 | M94 H98 R99 A113 | M94-Y111 HydrophobicContact CB-CD1 3.56Å; M94-Y111 HydrophobicContact CB-CE1 3.81Å; M94-Y111 HydrophobicContact CB-CG 4.38Å; M94-Y111 HydrophobicContact CG-CD1 3.98Å; M94-Y111 HydrophobicContact CG-CG 4.37Å; H98-Y111 HydrophobicContact CB-CD1 4.15Å; R99-Y111 HydrophobicContact CB-CE1 3.93Å; R99-Y111 HydrophobicContact CG-CE1 4.42Å; R99-Y111 PolarHBondContact NE-OH 3.47Å; Y111-A113 PolarHBondContact O-N 3.27Å; Y111-A113 VanDerWaalsContact O-N 3.16Å | ||
| 112 | P | 92.8 | Very high | 88 | Confident | 78 Ų | 78 | 132.1 Ų | 132.1 | 51% | 0.506 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 120.1 | 178 | -27.1 | 33.5 | 0 | 0 | 0 | 111.9 | H98 | H98-P112 HydrophobicContact CB-CG 4.39Å; H98-P112 VanDerWaalsContact O-CD 3.23Å; H98-P112 WeakPolarHBondContact O-CD 3.3Å |
| 113 | A | 89.8 | Confident | 86.1 | Confident | 96 Ų | 96 | 136.4 Ų | 136.4 | 79% | 0.793 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 138 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y111 | Y111-A113 PolarHBondContact O-N 3.27Å; Y111-A113 VanDerWaalsContact O-N 3.16Å |
| 114 | R | 87 | Confident | 84.4 | Confident | 152 Ų | 152 | 133.5 Ų | 133.5 | 57% | 0.574 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 131.5 | 172.6 | -78.7 | -176.3 | 140.6 | -126.5 | -7.4 | 110.5 | Y91 W116 | Y91-R114 PolarHBondContact OH-NH1 2.9Å; Y91-R114 PolarHBondContact OH-NH2 3.33Å; Y91-R114 VanDerWaalsContact OH-NH2 3.16Å; R114-W116 PolarHBondContact O-N 2.85Å |
| 115 | C | 92.4 | Very high | 82.3 | Confident | 137 Ų | 137 | 138.7 Ų | 138.7 | 93% | 0.926 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 130.3 | 169.6 | -65.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 116 | W | 87.6 | Confident | 80.1 | Confident | 217 Ų | 217 | 139.3 Ų | 139.3 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | trans | -135.5 | 153 | 176 | 60 | -87.2 | 0 | 0 | 0 | 109.3 | R114 K118 | R114-W116 PolarHBondContact O-N 2.85Å; W116-K118 HydrophobicContact CZ3-CB 4.1Å | ||
| 117 | R | 91.2 | Very high | 77.9 | Confident | 233 Ų | 233 | 137.4 Ų | 137.4 | 88% | 0.879 | 64% | 0.643 | S | S | * | * | trans | -128.5 | 124.4 | 177 | -168 | -178.8 | -166.8 | -153.4 | 5.7 | 109.1 | K119 | R117-K119 PolarHBondContact O-N 3.14Š| ||
| 118 | K | 87.6 | Confident | 75.9 | Confident | 173 Ų | 173 | 138.5 Ų | 138.5 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 119 | 171.1 | -164.3 | 173.1 | 179.5 | 179 | 0 | 108.8 | W116 R120 | W116-K118 HydrophobicContact CZ3-CB 4.1Å; K118-R120 PolarHBondContact O-N 2.96Å |
| 119 | K | 78.8 | Confident | 74 | Confident | 171 Ų | 171 | 141.6 Ų | 141.6 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -68 | 130 | 168.7 | -163.6 | 171.6 | -177.4 | 177.9 | 0 | 108.1 | R117 R121 | R117-K119 PolarHBondContact O-N 3.14Å; K119-R121 PolarHBondContact O-N 3.1Å |
| 120 | R | 78.4 | Confident | 71.8 | Confident | 235 Ų | 235 | 140.9 Ų | 140.9 | 89% | 0.887 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 119.2 | 171.2 | -82.6 | -172.3 | -83.8 | -169.1 | -3.2 | 107.4 | K118 L122 | K118-R120 PolarHBondContact O-N 2.96Å; R120-L122 PolarHBondContact O-N 2.78Å |
| 121 | R | 63.3 | Low | 69.5 | Low | 203 Ų | 203 | 144.8 Ų | 144.8 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 122.3 | 171.9 | -66.2 | -170 | 175.9 | -149.4 | 0.2 | 106.7 | K119 | K119-R121 PolarHBondContact O-N 3.1Š|
| 122 | L | 57.5 | Low | 67.1 | Low | 162 Ų | 162 | 146.1 Ų | 146.1 | 85% | 0.848 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 140.9 | 159.4 | -67.2 | 170.4 | 0 | 0 | 0 | 106.7 | R120 I124 | R120-L122 PolarHBondContact O-N 2.78Å; L122-I124 PolarHBondContact O-N 3.2Å |
| 123 | N | 55.1 | Low | 64.9 | Low | 117 Ų | 117 | 149.1 Ų | 149.1 | 63% | 0.626 | 71% | 0.712 | S | S | * | * | trans | -53.3 | 110.7 | -175.5 | -72.9 | -46.7 | 0 | 0 | 0 | 109.9 | L125 E126 | N123-L125 PolarHBondContact O-N 3.02Å; N123-E126 PolarHBondContact O-N 2.56Å | ||
| 124 | I | 54.8 | Low | 62.5 | Low | 97 Ų | 97 | 152.5 Ų | 152.5 | 50% | 0.497 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -59.9 | -19.5 | 178.9 | -65.6 | 170.2 | 0 | 0 | 0 | 111 | L122 L130 | L122-I124 PolarHBondContact O-N 3.2Å; I124-L130 HydrophobicContact CG2-CD1 3.44Å; I124-L130 VanDerWaalsContact CG2-CD1 3.44Å |
| 125 | L | 50.6 | Low | 60.2 | Low | 158 Ų | 158 | 153.7 Ų | 153.7 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -77.8 | -11.4 | 177.6 | -88.4 | 157.8 | 0 | 0 | 0 | 115.1 | N123 | N123-L125 PolarHBondContact O-N 3.02Š|
| 126 | E | 48 | Very low | 57.5 | Low | 151 Ų | 151 | 155.2 Ų | 155.2 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -101.8 | 3.4 | 176.5 | -76.5 | 173 | 144.5 | 0 | 0 | 112.8 | N123 P128 | N123-E126 PolarHBondContact O-N 2.56Å; E126-P128 VanDerWaalsContact O-CD 3.24Å; E126-P128 WeakPolarHBondContact O-CD 3.44Å |
| 127 | D | 48.9 | Very low | 55.3 | Low | 46 Ų | 46 | 151.9 Ų | 151.9 | 25% | 0.246 | 71% | 0.709 | C | S | . | * | trans | -77.6 | 113.3 | 170.9 | -164.8 | -31.1 | 0 | 0 | 0 | 108.9 | R129 L130 | D127-R129 PolarHBondContact O-N 3.2Å; D127-R129 WeakPolarHBondContact OD1-CB 3.43Å; D127-R129 WeakPolarHBondContact OD1-CG 3.33Å; D127-R129 IonicContact OD1-CZ 3.6Å; D127-R129 PolarHBondContact OD1-N 3.11Å; D127-R129 IonicContact OD1-NE 3.69Å; D127-R129 PolarHBondContact OD1-NE 2.97Å; D127-R129 IonicContact OD1-NH2 3.51Å; D127-R129 IonicContact OD2-CZ 2.74Å; D127-R129 IonicContact OD2-NE 3.51Å; D127-R129 PolarHBondContact OD2-NE 3.27Å; D127-R129 IonicContact OD2-NH2 3.9Å; D127-R129 PolarHBondContact OD2-NH2 3.21Å; D127-L130 HydrophobicContact CB-CD1 4.26Å; D127-L130 HydrophobicContact CB-CG 4.36Å; D127-L130 PolarHBondContact O-N 3.36Å | ||
| 128 | P | 52.3 | Low | 52.6 | Low | 104 Ų | 104 | 147.9 Ų | 147.9 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -13.4 | -177.6 | -22.6 | 34.2 | 0 | 0 | 0 | 113.9 | E126 | E126-P128 VanDerWaalsContact O-CD 3.24Å; E126-P128 WeakPolarHBondContact O-CD 3.44Å |
| 129 | R | 53.8 | Low | 50.5 | Low | 205 Ų | 205 | 149.7 Ų | 149.7 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -8.7 | 179.2 | -58.6 | 174.5 | -67.1 | 176 | 2.7 | 114.2 | D127 | D127-R129 PolarHBondContact O-N 3.2Å; D127-R129 WeakPolarHBondContact OD1-CB 3.43Å; D127-R129 WeakPolarHBondContact OD1-CG 3.33Å; D127-R129 IonicContact OD1-CZ 3.6Å; D127-R129 PolarHBondContact OD1-N 3.11Å; D127-R129 IonicContact OD1-NE 3.69Å; D127-R129 PolarHBondContact OD1-NE 2.97Å; D127-R129 IonicContact OD1-NH2 3.51Å; D127-R129 IonicContact OD2-CZ 2.74Å; D127-R129 IonicContact OD2-NE 3.51Å; D127-R129 PolarHBondContact OD2-NE 3.27Å; D127-R129 IonicContact OD2-NH2 3.9Å; D127-R129 PolarHBondContact OD2-NH2 3.21Å |
| 130 | L | 49.2 | Very low | 48.7 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 57% | 0.565 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -112.2 | 4.7 | -179.9 | -62.7 | 178.3 | 0 | 0 | 0 | 112.8 | I124 D127 | I124-L130 HydrophobicContact CG2-CD1 3.44Å; I124-L130 VanDerWaalsContact CG2-CD1 3.44Å; D127-L130 HydrophobicContact CB-CD1 4.26Å; D127-L130 HydrophobicContact CB-CG 4.36Å; D127-L130 PolarHBondContact O-N 3.36Å |
| 131 | L | 47 | Very low | 46.6 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 58% | 0.576 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -68.3 | 127.7 | 168.7 | -71.8 | 172.3 | 0 | 0 | 0 | 108.8 | I133 | L131-I133 PolarHBondContact O-N 3.29Š|
| 132 | P | 44.2 | Very low | 45.2 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 71% | 0.714 | S | S | * | * | trans | -55.6 | 124.2 | 169 | -21.8 | 32.5 | 0 | 0 | 0 | 109 | E134 | P132-E134 PolarHBondContact O-N 2.95Š| ||
| 133 | I | 46.5 | Very low | 44.2 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 73% | 0.728 | 72% | 0.715 | S | S | * | * | trans | -67 | 100.1 | 170.2 | -63.4 | 170 | 0 | 0 | 0 | 106.3 | L131 F135 | L131-I133 PolarHBondContact O-N 3.29Å; I133-F135 HydrophobicContact CG2-CD2 3.95Å; I133-F135 HydrophobicContact CG2-CE2 3.88Å; I133-F135 PolarHBondContact O-N 3.33Å | ||
| 134 | E | 38.5 | Very low | 43.2 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | trans | -69 | 99.8 | 167.9 | -74.9 | -173.9 | 172.7 | 0 | 0 | 108.1 | P132 K136 | P132-E134 PolarHBondContact O-N 2.95Å; E134-K136 PolarHBondContact O-N 3.43Å | ||
| 135 | F | 38.4 | Very low | 42.1 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 77% | 0.772 | 74% | 0.739 | S | S | * | * | trans | -66.5 | 98.9 | 164.3 | -86.2 | -89 | 0 | 0 | 0 | 108.4 | I133 I137 | I133-F135 HydrophobicContact CG2-CD2 3.95Å; I133-F135 HydrophobicContact CG2-CE2 3.88Å; I133-F135 PolarHBondContact O-N 3.33Å; F135-I137 PolarHBondContact O-N 2.94Å; F135-I137 VanDerWaalsContact O-N 3.17Å | ||
| 136 | K | 35.8 | Very low | 41.1 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 74% | 0.735 | 73% | 0.733 | S | S | * | * | trans | -71.5 | 103.2 | 160.7 | -76.7 | -163.5 | 176.5 | -174.8 | 0 | 108.3 | E134 D138 | E134-K136 PolarHBondContact O-N 3.43Å; K136-D138 PolarHBondContact O-N 3.47Å | ||
| 137 | I | 41.1 | Very low | 40.4 | Very low | 148 Ų | 148 | 145.3 Ų | 145.3 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | -76 | 98.4 | 164.2 | -59.1 | 172.2 | 0 | 0 | 0 | 105.9 | F135 Y139 | F135-I137 PolarHBondContact O-N 2.94Å; F135-I137 VanDerWaalsContact O-N 3.17Å; I137-Y139 VanDerWaalsContact C-N 3.25Å; I137-Y139 PolarHBondContact O-N 2.88Å | ||
| 138 | D | 35.3 | Very low | 39.5 | Very low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -72.7 | 83.3 | 171.7 | -75.8 | -25.3 | 0 | 0 | 0 | 109.3 | K136 | K136-D138 PolarHBondContact O-N 3.47Š| ||
| 139 | Y | 43.2 | Very low | 38.5 | Very low | 210 Ų | 210 | 149.9 Ų | 149.9 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -94 | 80.2 | 162.6 | -178.3 | -94.8 | 0 | 0 | 0 | 108.4 | I137 | I137-Y139 VanDerWaalsContact C-N 3.25Å; I137-Y139 PolarHBondContact O-N 2.88Å | ||
| 140 | E | 40.6 | Very low | 38.3 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 178.1 | 81 | 151 | -109.3 | -169.6 | 155.8 | 0 | 0 | 111.3 | ||||
| 141 | T | 34 | Very low | 37.4 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -157.4 | 75.2 | 146.2 | -19.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 142 | S | 34.8 | Very low | 36.9 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -170.4 | 69.7 | 154 | -85.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 143 | L | 37.2 | Very low | 36.9 | Very low | 166 Ų | 166 | 146 Ų | 146 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -129.5 | 89.4 | 153.3 | -85.6 | 172.8 | 0 | 0 | 0 | 108.2 | ||||
| 144 | K | 32.2 | Very low | 36.7 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 170.7 | 124.8 | 132.1 | -91.8 | 159.7 | -174.6 | 179.7 | 0 | 111.3 | ||||
| 145 | K | 32.5 | Very low | 36.6 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 69 | 135.3 | 145.2 | -85 | -175.8 | 168.8 | -112.3 | 0 | 116.6 | ||||
| 146 | E | 30.5 | Very low | 36.8 | Very low | 150 Ų | 150 | 145 Ų | 145 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -151.6 | 167.3 | 17 | -86.4 | -61.6 | 156.3 | 0 | 0 | 108.1 | ||||
| 147 | G | 33.3 | Very low | 37.2 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -73.3 | 166.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 148 | G | 29.3 | Very low | 37.2 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 143.8 | 112.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 149 | I | 30.5 | Very low | 37.4 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -119.2 | 155.3 | 170.6 | -78.6 | 176.9 | 0 | 0 | 0 | 105.7 | ||||
| 150 | P | 49.8 | Very low | 37 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 62% | 0.623 | 81% | 0.805 | S | S | * | * | cis | -134.8 | 178.1 | -22.4 | 32.7 | -12.3 | 0 | 0 | 0 | 113.8 | ||||
| 151 | D | 31.2 | Very low | 36.5 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | 154 | 125.8 | 118.7 | -86.4 | -33.4 | 0 | 0 | 0 | 113.8 | |||||
| 152 | G | 36.6 | Very low | 36.2 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 124.7 | 137.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 153 | P | 44.2 | Very low | 35.9 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -90.3 | 141.2 | -158.6 | -3.2 | 24 | 0 | 0 | 0 | 116.2 | L155 | P153-L155 VanDerWaalsContact C-N 3.34Å; P153-L155 PolarHBondContact O-N 2.79Å | ||
| 154 | V | 42.1 | Very low | 35.4 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | -73.5 | 68.5 | 178.1 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 155 | L | 36.1 | Very low | 35.2 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | -119.3 | -3.4 | 176.7 | -166.8 | 55.5 | 0 | 0 | 0 | 114.9 | P153 | P153-L155 VanDerWaalsContact C-N 3.34Å; P153-L155 PolarHBondContact O-N 2.79Å | ||
| 156 | E | 41.9 | Very low | 35.1 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -103.7 | -13 | -173.7 | -146.1 | 174.1 | 179.1 | 0 | 0 | 114.8 | ||
| 157 | S | 44 | Very low | 35 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -0.1 | -173 | -50.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 158 | L | 42.7 | Very low | 34.8 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 4.8 | -178 | -68.8 | 173.6 | 0 | 0 | 0 | 114.3 | ||
| 159 | L | 39.1 | Very low | 34.6 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -119.5 | 19.9 | -176.3 | -69.4 | 177.9 | 0 | 0 | 0 | 115.5 | ||
| 160 | A | 34.7 | Very low | 34.5 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | -112.4 | 111 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 161 | G | 29.8 | Very low | 33.4 | Very low | 71 Ų | 71 | 140.6 Ų | 140.6 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | -86 | 174.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 162 | E | 28.6 | Very low | 33.1 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | 161.2 | 111.9 | 148.7 | -94.5 | -179.3 | 133.9 | 0 | 0 | 107.7 | ||||
| 163 | T | 27.2 | Very low | 32.7 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 69% | 0.693 | 79% | 0.787 | S | S | * | * | 71 | 140.1 | 82.9 | 66 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 164 | L | 27.3 | Very low | 31.9 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 76.1 | 142.5 | 168.5 | -91.5 | 85.9 | 0 | 0 | 0 | 116.6 | ||||
| 165 | D | 27.7 | Very low | 31.4 | Very low | 118 Ų | 118 | 148 Ų | 148 | 63% | 0.631 | 79% | 0.785 | S | S | * | * | cis | -163.7 | 170.7 | -2 | -135 | -32.6 | 0 | 0 | 0 | 110.9 | ||||
| 166 | K | 31.4 | Very low | 31.1 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -54.6 | 151.3 | -174.2 | -62 | 147 | 179.4 | 159.7 | 0 | 116.9 | ||||
| 167 | K | 26.5 | Very low | 30.8 | Very low | 202 Ų | 202 | 145.7 Ų | 145.7 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | -138.6 | 123.7 | 136.3 | -160.9 | 172 | 178.6 | -172.6 | 0 | 111.9 | ||||
| 168 | V | 29.6 | Very low | 30.3 | Very low | 117 Ų | 117 | 149 Ų | 149 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | -72.1 | 138.9 | 177.4 | 163.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 169 | E | 25.3 | Very low | 29.9 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -146.6 | 148.2 | 154 | -120.1 | 168.5 | -150.7 | 0 | 0 | 111.9 | ||||
| 170 | T | 28.5 | Very low | 29.7 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -86.9 | 150.9 | -150.2 | 34.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 171 | K | 26.1 | Very low | 29.6 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 70% | 0.704 | 79% | 0.785 | S | S | * | * | trans | -78.8 | 122.7 | 178.1 | -167.7 | -175.1 | -170.7 | -158.4 | 0 | 110.7 | E173 | K171-E173 HydrophobicContact CD-CG 4.33Å; K171-E173 WeakPolarHBondContact CE-OE1 3.29Å; K171-E173 HydrophobicContact CG-CG 4.14Å; K171-E173 IonicContact NZ-OE1 2.64Å; K171-E173 PolarHBondContact NZ-OE1 3.32Å | ||
| 172 | E | 26 | Very low | 29.9 | Very low | 195 Ų | 195 | 156.5 Ų | 156.5 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -120.9 | 121.5 | 152.3 | -71.3 | -166.5 | 152.3 | 0 | 0 | 108 | ||||
| 173 | E | 28 | Very low | 30.2 | Very low | 150 Ų | 150 | 156.3 Ų | 156.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -91 | 126.4 | 178 | -65.3 | -170.9 | 151.7 | 0 | 0 | 109.2 | K171 | K171-E173 HydrophobicContact CD-CG 4.33Å; K171-E173 WeakPolarHBondContact CE-OE1 3.29Å; K171-E173 HydrophobicContact CG-CG 4.14Å; K171-E173 IonicContact NZ-OE1 2.64Å; K171-E173 PolarHBondContact NZ-OE1 3.32Å | ||
| 174 | E | 27.5 | Very low | 30.8 | Very low | 185 Ų | 185 | 157 Ų | 157 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -124.1 | 142.7 | 161.7 | -90.3 | -89.7 | 118.5 | 0 | 0 | 108.8 | ||||
| 175 | P | 31.7 | Very low | 30.9 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 149.4 | -155.4 | 33.3 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 176 | M | 29 | Very low | 31.2 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 139.2 | -177.7 | -163.7 | 176.7 | -68.3 | 0 | 0 | 114 | ||
| 177 | S | 36.7 | Very low | 31 | Very low | 97 Ų | 97 | 155.5 Ų | 155.5 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 140 | -173.1 | 52.9 | 0 | 0 | 0 | 0 | 117.6 | C179 | S177-C179 PolarHBondContact O-N 3.06Š|
| 178 | E | 34 | Very low | 31.6 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -55 | 15.4 | 177 | -161 | 177.5 | 172.5 | 0 | 0 | 118 | Q180 | E178-Q180 PolarHBondContact O-N 3.01Š|
| 179 | C | 32.8 | Very low | 31.7 | Very low | 110 Ų | 110 | 153.6 Ų | 153.6 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 6.7 | -173.8 | -80.8 | 0 | 0 | 0 | 0 | 115.9 | S177 | S177-C179 PolarHBondContact O-N 3.06Š|
| 180 | Q | 34.5 | Very low | 31.9 | Very low | 190 Ų | 190 | 152.6 Ų | 152.6 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | 17.6 | 179.4 | -149.6 | 172.7 | 13.8 | 0 | 0 | 114.5 | E178 | E178-Q180 PolarHBondContact O-N 3.01Š|
| 181 | K | 33.8 | Very low | 32.1 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -111.1 | 9 | -177.5 | -88.6 | -177.8 | 177.3 | 178 | 0 | 116.6 | ||
| 182 | L | 35.5 | Very low | 32.3 | Very low | 161 Ų | 161 | 154.4 Ų | 154.4 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -123.3 | 30 | -173.9 | -69 | 179.4 | 0 | 0 | 0 | 116.5 | ||
| 183 | L | 35.5 | Very low | 32.5 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -135.8 | 32.4 | 172.4 | -69.1 | 177.3 | 0 | 0 | 0 | 114.6 | ||
| 184 | V | 38.9 | Very low | 32.7 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | trans | -135.6 | 84 | 157.2 | -168.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 185 | G | 29.1 | Very low | 32.9 | Very low | 74 Ų | 74 | 150.1 Ų | 150.1 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | -97.6 | 88.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | F187 | G185-F187 PolarHBondContact O-N 3.45Š| ||
| 186 | D | 34.2 | Very low | 32.8 | Very low | 143 Ų | 143 | 151.3 Ų | 151.3 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | -61.5 | 126.7 | 161.2 | -80.8 | -31.2 | 0 | 0 | 0 | 108.2 | ||||
| 187 | F | 27.8 | Very low | 33.1 | Very low | 202 Ų | 202 | 150.2 Ų | 150.2 | 89% | 0.886 | 79% | 0.794 | S | S | * | * | trans | -120.4 | 117.5 | 164.6 | -111.1 | -86.3 | 0 | 0 | 0 | 108.7 | G185 | G185-F187 PolarHBondContact O-N 3.45Š| ||
| 188 | P | 38.5 | Very low | 32.8 | Very low | 111 Ų | 111 | 154 Ų | 154 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -74.3 | 138.2 | 173.7 | -9.1 | 25.2 | 0 | 0 | 0 | 110.4 | ||||
| 189 | H | 32.2 | Very low | 32.5 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -109.6 | 100.9 | 159.8 | -166.7 | 11.3 | 0 | 0 | 0 | 107.9 | ||||
| 190 | E | 30.3 | Very low | 32.4 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -75.2 | 136.3 | 163.1 | -62.5 | -151 | 151.7 | 0 | 0 | 109.2 | ||||
| 191 | L | 31 | Very low | 32.4 | Very low | 149 Ų | 149 | 149.1 Ų | 149.1 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -113 | 114.6 | 155 | -75.2 | 174.5 | 0 | 0 | 0 | 106 | ||||
| 192 | E | 30.4 | Very low | 32.1 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -62.5 | 129.5 | 174.3 | -65.7 | 170.6 | 158.3 | 0 | 0 | 110.3 | ||||
| 193 | V | 30.1 | Very low | 31.7 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -133.8 | 112.8 | 150.9 | -73.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 194 | D | 33.6 | Very low | 31.3 | Very low | 161 Ų | 161 | 155.7 Ų | 155.7 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -50.6 | 132.7 | 165.9 | -92.3 | -73.9 | 0 | 0 | 0 | 111.2 | ||||
| 195 | D | 31.3 | Very low | 30.8 | Very low | 138 Ų | 138 | 157.3 Ų | 157.3 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | -171.3 | 132.6 | 116.6 | -132.1 | -26.6 | 0 | 0 | 0 | 113.6 | |||||
| 196 | M | 29.7 | Very low | 30.6 | Very low | 141 Ų | 141 | 164.7 Ų | 164.7 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | trans | 57.3 | 112.6 | 143.3 | -132.5 | 160.8 | -86.5 | 0 | 0 | 124.2 | ||||
| 197 | E | 35 | Very low | 30.3 | Very low | 164 Ų | 164 | 163.6 Ų | 163.6 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | 99.9 | 126.2 | 125.2 | -89.4 | 176.6 | 175.3 | 0 | 0 | 125 | |||||
| 198 | E | 30.3 | Very low | 30.3 | Very low | 175 Ų | 175 | 163.5 Ų | 163.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 73.5 | 90.7 | 145.1 | -83.7 | -167.3 | 137.8 | 0 | 0 | 123.6 | ||||
| 199 | D | 27.3 | Very low | 29.6 | Very low | 143 Ų | 143 | 162.8 Ų | 162.8 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | 35.9 | 119 | 112.8 | -127.9 | -30.1 | 0 | 0 | 0 | 121.4 | |||||
| 200 | V | 31.3 | Very low | 29.6 | Very low | 122 Ų | 122 | 166.6 Ų | 166.6 | 74% | 0.739 | 82% | 0.815 | S | S | * | * | 157.7 | 127.8 | 113.8 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 201 | P | 33.8 | Very low | 29.5 | Very low | 110 Ų | 110 | 164 Ų | 164 | 71% | 0.714 | 82% | 0.82 | S | S | * | * | trans | -103.7 | 143.2 | -178.6 | 36.9 | -29.5 | 0 | 0 | 0 | 113.4 | ||||
| 202 | K | 27.3 | Very low | 29.1 | Very low | 209 Ų | 209 | 167.6 Ų | 167.6 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -137.6 | 111.3 | 161.4 | -88.5 | 179.6 | -177.8 | 162.1 | 0 | 114.3 | ||||
| 203 | R | 28.8 | Very low | 29 | Very low | 244 Ų | 244 | 162.8 Ų | 162.8 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -58.9 | 147.9 | 160.2 | -72.2 | 169.9 | 151.7 | 171.8 | -6 | 112 | ||||
| 204 | K | 27.2 | Very low | 29 | Very low | 207 Ų | 207 | 162.6 Ų | 162.6 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | trans | -163.8 | 120.7 | 132.3 | -111.8 | 174 | -175.9 | 178.6 | 0 | 112.8 | ||||
| 205 | N | 26.6 | Very low | 28.7 | Very low | 164 Ų | 164 | 158.4 Ų | 158.4 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -68.9 | 147.7 | 160.7 | -69.5 | -21.3 | 0 | 0 | 0 | 110.4 | ||||
| 206 | R | 25.9 | Very low | 28.7 | Very low | 228 Ų | 228 | 155 Ų | 155 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | -178.7 | 108.2 | 123.6 | -159.5 | 160.9 | 75.5 | 178.5 | 5 | 113.9 | |||||
| 207 | T | 27 | Very low | 28.8 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | 26.3 | 147 | 129.1 | -7.3 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 208 | K | 27.7 | Very low | 28.8 | Very low | 201 Ų | 201 | 161.7 Ų | 161.7 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | 79.6 | 139.3 | 152.1 | -92.9 | 174.5 | 175.3 | 174.8 | 0 | 116.2 | ||||
| 209 | A | 25.3 | Very low | 28.8 | Very low | 95 Ų | 95 | 162.9 Ų | 162.9 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | cis | -162.8 | 179.6 | 11 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 210 | R | 30.8 | Very low | 28.9 | Very low | 247 Ų | 247 | 166.3 Ų | 166.3 | 93% | 0.932 | 84% | 0.841 | S | S | * | * | trans | -58 | 154.8 | -173.5 | -58.6 | 167.7 | 171.9 | -151.3 | -4.3 | 116.8 | ||||
| 211 | A | 28.2 | Very low | 28.9 | Very low | 105 Ų | 105 | 169.5 Ų | 169.5 | 87% | 0.868 | 85% | 0.848 | S | S | * | * | trans | -156.2 | 141.2 | 137.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 212 | Y | 23.5 | Very low | 28.7 | Very low | 225 Ų | 225 | 172.1 Ų | 172.1 | 88% | 0.882 | 85% | 0.851 | S | S | * | * | trans | -79.5 | 140.5 | -176.8 | -152 | -101.4 | 0 | 0 | 0 | 110.1 | V214 | Y212-V214 HydrophobicContact CD1-CG2 4.41Å; Y212-V214 HydrophobicContact CE1-CG2 4.11Å | ||
| 213 | G | 29.2 | Very low | 28.9 | Very low | 78 Ų | 78 | 170.1 Ų | 170.1 | 80% | 0.804 | 85% | 0.849 | S | S | * | * | trans | -162 | 102.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 214 | V | 29.6 | Very low | 29.3 | Very low | 137 Ų | 137 | 164.3 Ų | 164.3 | 83% | 0.83 | 84% | 0.843 | S | S | * | * | trans | -69.8 | 136.3 | 179.2 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | Y212 | Y212-V214 HydrophobicContact CD1-CG2 4.41Å; Y212-V214 HydrophobicContact CE1-CG2 4.11Å | ||
| 215 | G | 27.9 | Very low | 29.9 | Very low | 74 Ų | 74 | 158 Ų | 158 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | trans | 176.6 | 88.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 216 | G | 29.5 | Very low | 31.2 | Very low | 67 Ų | 67 | 157.9 Ų | 157.9 | 69% | 0.691 | 83% | 0.827 | S | S | * | * | trans | -72 | 140.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 217 | M | 32.2 | Very low | 32.5 | Very low | 186 Ų | 186 | 154.2 Ų | 154.2 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -140 | 125.4 | 154.5 | -87.8 | -64.1 | 125.4 | 0 | 0 | 108.9 | K219 | M217-K219 PolarHBondContact O-N 2.87Š| ||
| 218 | R | 35.4 | Very low | 33.6 | Very low | 259 Ų | 259 | 152.7 Ų | 152.7 | 98% | 0.977 | 81% | 0.807 | S | S | * | * | trans | -72.5 | 113.1 | -174.4 | -66 | 171.7 | 172.7 | 175.9 | -3.5 | 109.7 | ||||
| 219 | K | 30.7 | Very low | 34.9 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | -113.1 | 99.5 | 162.9 | -166.6 | 170.1 | -177.5 | 175.8 | 0 | 108.2 | M217 Q221 | M217-K219 PolarHBondContact O-N 2.87Å; K219-Q221 PolarHBondContact O-N 3.38Å | ||
| 220 | R | 29.8 | Very low | 36.8 | Very low | 215 Ų | 215 | 154.9 Ų | 154.9 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -61.5 | 113 | 172.7 | 176.7 | -179.1 | -102.2 | -113.9 | -0.5 | 108 | ||||
| 221 | Q | 30.9 | Very low | 39 | Very low | 188 Ų | 188 | 146.7 Ų | 146.7 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 122.1 | 163.2 | -77 | 170.5 | -27.4 | 0 | 0 | 107.2 | K219 | K219-Q221 PolarHBondContact O-N 3.38Š|
| 222 | E | 28.8 | Very low | 41.5 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 129.7 | 163.2 | -86.2 | -174.5 | 157.2 | 0 | 0 | 109 | ||
| 223 | L | 31.4 | Very low | 44.2 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 142.5 | 174.3 | -69.1 | 149.2 | 0 | 0 | 0 | 109.6 | A225 | L223-A225 PolarHBondContact O-N 3.18Š|
| 224 | P | 38.8 | Very low | 47 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 130.4 | 171.2 | 8.9 | 4.3 | 0 | 0 | 0 | 109.9 | ||
| 225 | A | 39.8 | Very low | 49.8 | Very low | 73 Ų | 73 | 132 Ų | 132 | 60% | 0.603 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 134.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L223 E227 | L223-A225 PolarHBondContact O-N 3.18Å; A225-E227 PolarHBondContact O-N 3.43Å |
| 226 | I | 52 | Low | 52.3 | Low | 163 Ų | 163 | 132.8 Ų | 132.8 | 84% | 0.836 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -69.7 | -4.9 | 173.8 | -76.7 | 163.4 | 0 | 0 | 0 | 112.3 | D228 | I226-D228 VanDerWaalsContact C-N 3.34Å; I226-D228 PolarHBondContact O-N 3.29Å |
| 227 | E | 54.1 | Low | 54.8 | Low | 150 Ų | 150 | 133.8 Ų | 133.8 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -79 | -3.9 | -174.6 | -67.6 | -174.6 | 152.3 | 0 | 0 | 115.8 | A225 R229 | A225-E227 PolarHBondContact O-N 3.43Å; E227-R229 PolarHBondContact O-N 3.12Å |
| 228 | D | 50 | Low | 57.3 | Low | 89 Ų | 89 | 127.5 Ų | 127.5 | 48% | 0.476 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -76.6 | -12.8 | -175 | -138 | -3.1 | 0 | 0 | 0 | 112.2 | I226 D230 R241 | I226-D228 VanDerWaalsContact C-N 3.34Å; I226-D228 PolarHBondContact O-N 3.29Å; D228-D230 PolarHBondContact O-N 2.79Å; D228-R241 PolarHBondContact O-NH1 2.81Å; D228-R241 PolarHBondContact O-NH2 3.36Å |
| 229 | R | 55.5 | Low | 59.4 | Low | 205 Ų | 205 | 117.4 Ų | 117.4 | 77% | 0.774 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -74.5 | -20.5 | -173.1 | -74.8 | -83 | 139.8 | 171.3 | -6.8 | 114.6 | E227 R241 | E227-R229 PolarHBondContact O-N 3.12Å; R229-R241 PolarHBondContact O-NH2 3.13Å |
| 230 | D | 65.7 | Low | 61.9 | Low | 137 Ų | 137 | 113.3 Ų | 113.3 | 73% | 0.733 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -99.1 | 13.2 | -170.8 | -64.8 | -43.1 | 0 | 0 | 0 | 115.7 | D228 P232 | D228-D230 PolarHBondContact O-N 2.79Å; D230-P232 WeakPolarHBondContact O-CD 3.35Å |
| 231 | K | 77 | Confident | 64.5 | Low | 74 Ų | 74 | 106.5 Ų | 106.5 | 32% | 0.322 | 55% | 0.554 | S | S | . | * | trans | -106.1 | 96 | 179.3 | -69.1 | 172.1 | -168.2 | 173.2 | 0 | 110.4 | Y233 R241 Y242 K243 | K231-Y233 VanDerWaalsContact C-N 3.32Å; K231-Y233 PolarHBondContact O-N 2.73Å; K231-R241 HydrophobicContact CB-CB 3.67Å; K231-R241 HydrophobicContact CD-CB 4.24Å; K231-R241 PolarHBondContact O-NE 2.72Å; K231-R241 PolarHBondContact O-NH2 2.72Å; K231-Y242 CarbonylContact C-O 3.51Å; K231-Y242 WeakPolarHBondContact CB-O 2.87Å; K231-K243 HydrophobicContact CG-CB 4.22Å | ||
| 232 | P | 80.2 | Confident | 67.1 | Low | 94 Ų | 94 | 100.1 Ų | 100.1 | 61% | 0.61 | 52% | 0.522 | S | S | * | . | trans | -74.6 | -18 | -171 | 26.7 | -33.6 | 0 | 0 | 0 | 114 | D230 | D230-P232 WeakPolarHBondContact O-CD 3.35Š| ||
| 233 | Y | 80.5 | Confident | 69.1 | Low | 78 Ų | 78 | 95.3 Ų | 95.3 | 31% | 0.306 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 122.5 | -179.5 | -57.3 | -78.1 | 0 | 0 | 0 | 109.8 | K231 R241 Y242 K243 R245 | K231-Y233 VanDerWaalsContact C-N 3.32Å; K231-Y233 PolarHBondContact O-N 2.73Å; Y233-R241 CarbonylContact O-C 3.48Å; Y233-R241 WeakPolarHBondContact O-CA 3.37Å; Y233-Y242 WeakPolarHBondContact CB-O 3.4Å; Y233-Y242 PolarHBondContact N-O 3.49Å; Y233-Y242 PolarHBondContact O-N 3.18Å; Y233-Y242 VanDerWaalsContact O-O 3.05Å; Y233-K243 WeakPolarHBondContact CD2-O 3.47Å; Y233-K243 WeakPolarHBondContact CE2-O 3.42Å; Y233-R245 HydrophobicContact CD1-CB 4.33Å; Y233-R245 HydrophobicContact CE1-CB 3.97Å; Y233-R245 VanDerWaalsContact CE1-CD 3.5Å; Y233-R245 HydrophobicContact CE1-CG 4.36Å |
| 234 | V | 87.1 | Confident | 71.2 | Confident | 65 Ų | 65 | 90.4 Ų | 90.4 | 39% | 0.394 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.3 | -178.7 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | D236 R241 | V234-D236 PolarHBondContact O-N 3.45Å; V234-R241 HydrophobicContact CB-CG 4.46Å; V234-R241 HydrophobicContact CG1-CG 4.1Å; V234-R241 HydrophobicContact CG2-CB 4.3Å; V234-R241 HydrophobicContact CG2-CG 3.78Å |
| 235 | C | 88.1 | Confident | 72.7 | Confident | 1 Ų | 1 | 92.7 Ų | 92.7 | 1% | 0.007 | 47% | 0.466 | C | S | . | . | trans | -70.6 | 120.7 | 167.8 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | I237 G239 K240 Y242 L248 H251 H256 | C235-I237 PolarHBondContact O-N 2.99Å; C235-I237 PolarHBondContact SG-N 3.34Å; C235-G239 WeakPolarHBondContact O-CA 3.19Å; C235-G239 PolarHBondContact O-N 3.23Å; C235-K240 PolarHBondContact N-O 2.66Å; C235-Y242 HydrophobicContact CB-CE2 4.41Å; C235-L248 HydrophobicContact CB-CD1 3.83Å; C235-H251 WeakPolarHBondContact CB-CD2 3.44Å; C235-H251 WeakPolarHBondContact CB-NE2 3.22Å; C235-H251 VanDerWaalsContact SG-CD2 3.54Å; C235-H251 PolarHBondContact SG-NE2 3.33Å; C235-H256 VanDerWaalsContact SG-CD2 3.59Å | ||
| 236 | D | 81.4 | Confident | 74.5 | Confident | 89 Ų | 89 | 93 Ų | 93 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.5 | 173.9 | 55.3 | -33.3 | 0 | 0 | 0 | 113.6 | M74 V234 Y252 | M74-D236 VanDerWaalsContact SD-OD2 3.42Å; V234-D236 PolarHBondContact O-N 3.45Å; D236-Y252 WeakPolarHBondContact OD1-CE2 3.07Å |
| 237 | I | 80.6 | Confident | 76 | Confident | 88 Ų | 88 | 86.4 Ų | 86.4 | 45% | 0.451 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -46 | -179 | -52.4 | 173.2 | 0 | 0 | 0 | 112.2 | C235 Y252 H256 | C235-I237 PolarHBondContact O-N 2.99Å; C235-I237 PolarHBondContact SG-N 3.34Å; I237-Y252 HydrophobicContact CD1-CD2 4.16Å; I237-Y252 HydrophobicContact CD1-CE2 3.47Å; I237-Y252 VanDerWaalsContact CD1-CE2 3.47Å; I237-Y252 HydrophobicContact CG1-CE2 3.98Å; I237-H256 HydrophobicContact CD1-CB 3.43Å; I237-H256 VanDerWaalsContact CD1-CB 3.43Å; I237-H256 HydrophobicContact CG2-CB 4.37Å; I237-H256 WeakPolarHBondContact CG2-CE1 3.39Å; I237-H256 WeakPolarHBondContact CG2-ND1 3.18Å |
| 238 | C | 84.6 | Confident | 77.5 | Confident | 54 Ų | 54 | 80.3 Ų | 80.3 | 37% | 0.365 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 5 | 179.9 | 84.1 | 0 | 0 | 0 | 0 | 115.7 | K240 H251 H256 | C238-K240 PolarHBondContact O-N 3.06Å; C238-K240 VanDerWaalsContact O-N 3.14Å; C238-K240 VanDerWaalsContact SG-CG 3.52Å; C238-H251 PolarHBondContact SG-CE1 3.4Å; C238-H251 PolarHBondContact SG-NE2 2.76Å; C238-H256 WeakPolarHBondContact CB-NE2 3.29Å |
| 239 | G | 79.4 | Confident | 78.9 | Confident | 47 Ų | 47 | 78.5 Ų | 78.5 | 49% | 0.485 | 40% | 0.4 | S | S | . | . | trans | 72.1 | 2.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C235 R241 | C235-G239 WeakPolarHBondContact O-CA 3.19Å; C235-G239 PolarHBondContact O-N 3.23Å; G239-R241 PolarHBondContact O-N 2.69Å | ||
| 240 | K | 83.4 | Confident | 80.2 | Confident | 114 Ų | 114 | 71.4 Ų | 71.4 | 50% | 0.496 | 37% | 0.374 | S | S | . | . | trans | -67.9 | 133 | 179.5 | -78.2 | 176.5 | -171.1 | 169.1 | 0 | 110.3 | C235 C238 Y242 | C235-K240 PolarHBondContact N-O 2.66Å; C238-K240 PolarHBondContact O-N 3.06Å; C238-K240 VanDerWaalsContact O-N 3.14Å; C238-K240 VanDerWaalsContact SG-CG 3.52Å; K240-Y242 HydrophobicContact CB-CE2 3.53Å; K240-Y242 WeakPolarHBondContact CD-OH 3.22Å; K240-Y242 VanDerWaalsContact O-CD2 3.31Å; K240-Y242 WeakPolarHBondContact O-CD2 3.26Å; K240-Y242 VanDerWaalsContact O-CE2 3.32Å; K240-Y242 WeakPolarHBondContact O-CE2 3.36Å | ||
| 241 | R | 85 | Confident | 81.2 | Confident | 73 Ų | 73 | 65.2 Ų | 65.2 | 28% | 0.275 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136.9 | -179.1 | -49.6 | -172.2 | 64.1 | -167.6 | -13.3 | 110.4 | D228 R229 K231 Y233 V234 G239 | D228-R241 PolarHBondContact O-NH1 2.81Å; D228-R241 PolarHBondContact O-NH2 3.36Å; R229-R241 PolarHBondContact O-NH2 3.13Å; K231-R241 HydrophobicContact CB-CB 3.67Å; K231-R241 HydrophobicContact CD-CB 4.24Å; K231-R241 PolarHBondContact O-NE 2.72Å; K231-R241 PolarHBondContact O-NH2 2.72Å; Y233-R241 CarbonylContact O-C 3.48Å; Y233-R241 WeakPolarHBondContact O-CA 3.37Å; V234-R241 HydrophobicContact CB-CG 4.46Å; V234-R241 HydrophobicContact CG1-CG 4.1Å; V234-R241 HydrophobicContact CG2-CB 4.3Å; V234-R241 HydrophobicContact CG2-CG 3.78Å; G239-R241 PolarHBondContact O-N 2.69Å |
| 242 | Y | 85.9 | Confident | 81.3 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 21% | 0.208 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.2 | -176.8 | -63.3 | -86.6 | 0 | 0 | 0 | 109 | K231 Y233 C235 K240 L248 H251 | K231-Y242 CarbonylContact C-O 3.51Å; K231-Y242 WeakPolarHBondContact CB-O 2.87Å; Y233-Y242 WeakPolarHBondContact CB-O 3.4Å; Y233-Y242 PolarHBondContact N-O 3.49Å; Y233-Y242 PolarHBondContact O-N 3.18Å; Y233-Y242 VanDerWaalsContact O-O 3.05Å; C235-Y242 HydrophobicContact CB-CE2 4.41Å; K240-Y242 HydrophobicContact CB-CE2 3.53Å; K240-Y242 WeakPolarHBondContact CD-OH 3.22Å; K240-Y242 VanDerWaalsContact O-CD2 3.31Å; K240-Y242 WeakPolarHBondContact O-CD2 3.26Å; K240-Y242 VanDerWaalsContact O-CE2 3.32Å; K240-Y242 WeakPolarHBondContact O-CE2 3.36Å; Y242-L248 HydrophobicContact CD2-CB 4.27Å; Y242-L248 HydrophobicContact CD2-CD1 3.78Å; Y242-L248 HydrophobicContact CE2-CD1 4.26Å; Y242-L248 HydrophobicContact CG-CB 4.33Å; Y242-H251 HydrophobicContact CE1-CB 3.83Å; Y242-H251 HydrophobicContact CE2-CB 3.73Å; Y242-H251 AromaticContact CE2-CD2 3.29Å; Y242-H251 WeakPolarHBondContact CE2-CD2 3.39Å; Y242-H251 AromaticContact CE2-CG 3.5Å; Y242-H251 VanDerWaalsContact CE2-CG 3.5Å; Y242-H251 AromaticContact CE2-NE2 3.96Å; Y242-H251 AromaticContact CZ-CD2 3.62Å; Y242-H251 AromaticContact CZ-CG 3.3Å; Y242-H251 AromaticContact CZ-ND1 3.87Å; Y242-H251 WeakPolarHBondContact OH-CB 3.43Å; Y242-H251 PolarHBondContact OH-CD2 3.36Å; Y242-H251 PolarHBondContact OH-ND1 2.5Å |
| 243 | K | 70 | Confident | 81 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -80 | -25.6 | -178.4 | 34.9 | 166.6 | -172.1 | -158.6 | 0 | 113.4 | K231 Y233 D358 D359 | K231-K243 HydrophobicContact CG-CB 4.22Å; Y233-K243 WeakPolarHBondContact CD2-O 3.47Å; Y233-K243 WeakPolarHBondContact CE2-O 3.42Å; K243-D358 WeakPolarHBondContact CE-OD2 3.4Å; K243-D358 IonicContact NZ-OD1 3.3Å; K243-D358 PolarHBondContact NZ-OD1 3.49Å; K243-D358 IonicContact NZ-OD2 2.82Å; K243-D358 PolarHBondContact NZ-OD2 2.9Å; K243-D359 HydrophobicContact CD-CB 3.63Å; K243-D359 VanDerWaalsContact NZ-CB 3.27Å |
| 244 | N | 75.3 | Confident | 80.2 | Confident | 62 Ų | 62 | 62.2 Ų | 62.2 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -134.2 | 149.3 | -175.6 | -42.4 | 70.3 | 0 | 0 | 0 | 111.6 | G247 L248 | N244-G247 PolarHBondContact O-N 3.45Å; N244-L248 PolarHBondContact O-N 3.01Å |
| 245 | R | 70.8 | Confident | 79.7 | Confident | 172 Ų | 172 | 61.9 Ų | 61.9 | 65% | 0.649 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.1 | -40.6 | 178.7 | -163.6 | 82.3 | 171.9 | -166.2 | -1 | 113.7 | Y233 G247 L248 S249 | Y233-R245 HydrophobicContact CD1-CB 4.33Å; Y233-R245 HydrophobicContact CE1-CB 3.97Å; Y233-R245 VanDerWaalsContact CE1-CD 3.5Å; Y233-R245 HydrophobicContact CE1-CG 4.36Å; R245-G247 PolarHBondContact O-N 2.96Å; R245-L248 PolarHBondContact O-N 3.3Å; R245-S249 WeakPolarHBondContact O-CB 3.49Å; R245-S249 PolarHBondContact O-N 3.22Å |
| 246 | P | 78.5 | Confident | 79.1 | Confident | 79 Ų | 79 | 64.1 Ų | 64.1 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.4 | -24.7 | 36.5 | 0 | 0 | 0 | 113.1 | S249 Y250 | P246-S249 PolarHBondContact O-N 3.34Å; P246-Y250 WeakPolarHBondContact O-CB 2.97Å; P246-Y250 PolarHBondContact O-N 3.38Å |
| 247 | G | 82.6 | Confident | 78.2 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | N244 R245 H251 | N244-G247 PolarHBondContact O-N 3.45Å; R245-G247 PolarHBondContact O-N 2.96Å; G247-H251 WeakPolarHBondContact O-CB 3.47Å; G247-H251 PolarHBondContact O-N 3.13Å |
| 248 | L | 86.2 | Confident | 76.7 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 12% | 0.12 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 171.9 | 176.6 | 62.6 | 0 | 0 | 0 | 111.7 | C235 Y242 N244 R245 Y250 H251 Y252 | C235-L248 HydrophobicContact CB-CD1 3.83Å; Y242-L248 HydrophobicContact CD2-CB 4.27Å; Y242-L248 HydrophobicContact CD2-CD1 3.78Å; Y242-L248 HydrophobicContact CE2-CD1 4.26Å; Y242-L248 HydrophobicContact CG-CB 4.33Å; N244-L248 PolarHBondContact O-N 3.01Å; R245-L248 PolarHBondContact O-N 3.3Å; L248-Y250 VanDerWaalsContact C-N 3.35Å; L248-Y250 PolarHBondContact O-N 3.24Å; L248-H251 PolarHBondContact O-N 3Å; L248-Y252 WeakPolarHBondContact O-CB 3.28Å; L248-Y252 PolarHBondContact O-N 2.87Å |
| 249 | S | 78.8 | Confident | 74.8 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 178.4 | -172 | 0 | 0 | 0 | 0 | 111.7 | R245 P246 Y252 T253 | R245-S249 WeakPolarHBondContact O-CB 3.49Å; R245-S249 PolarHBondContact O-N 3.22Å; P246-S249 PolarHBondContact O-N 3.34Å; S249-Y252 PolarHBondContact O-N 2.89Å; S249-T253 WeakPolarHBondContact O-CB 3.42Å; S249-T253 WeakPolarHBondContact O-CG2 3.25Å; S249-T253 PolarHBondContact O-N 3.32Å; S249-T253 PolarHBondContact O-OG1 3.13Å |
| 250 | Y | 82.9 | Confident | 73.5 | Confident | 57 Ų | 57 | 74.4 Ų | 74.4 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.5 | -51.2 | 173.1 | -177.9 | -92.9 | 0 | 0 | 0 | 110.8 | P246 L248 Y252 T253 H254 I344 | P246-Y250 WeakPolarHBondContact O-CB 2.97Å; P246-Y250 PolarHBondContact O-N 3.38Å; L248-Y250 VanDerWaalsContact C-N 3.35Å; L248-Y250 PolarHBondContact O-N 3.24Å; Y250-Y252 VanDerWaalsContact C-N 3.33Å; Y250-Y252 PolarHBondContact O-N 2.91Å; Y250-T253 WeakPolarHBondContact CA-OG1 3.45Å; Y250-T253 PolarHBondContact O-N 2.72Å; Y250-T253 PolarHBondContact O-OG1 3.26Å; Y250-H254 AromaticContact CD1-CD2 3.73Å; Y250-H254 AromaticContact CD2-CD2 3.19Å; Y250-H254 WeakPolarHBondContact CD2-CD2 3.32Å; Y250-H254 AromaticContact CD2-NE2 3.29Å; Y250-H254 VanDerWaalsContact CD2-NE2 3.29Å; Y250-H254 WeakPolarHBondContact CD2-NE2 3.15Å; Y250-H254 HydrophobicContact CE1-CB 4.41Å; Y250-H254 AromaticContact CE1-CD2 3.61Å; Y250-H254 AromaticContact CE2-CD2 3.07Å; Y250-H254 WeakPolarHBondContact CE2-CD2 3.36Å; Y250-H254 AromaticContact CE2-CE1 3.83Å; Y250-H254 AromaticContact CE2-NE2 2.87Å; Y250-H254 WeakPolarHBondContact CE2-NE2 3.38Å; Y250-H254 AromaticContact CG-CD2 3.52Å; Y250-H254 AromaticContact CZ-CD2 3.25Å; Y250-H254 AromaticContact CZ-CG 3.83Å; Y250-H254 AromaticContact CZ-NE2 3.4Å; Y250-H254 WeakPolarHBondContact O-CB 3.48Å; Y250-H254 PolarHBondContact O-CD2 3.42Å; Y250-H254 PolarHBondContact O-N 3.18Å; Y250-I344 HydrophobicContact CD2-CG2 3.72Å; Y250-I344 HydrophobicContact CE1-CG2 4.39Å; Y250-I344 HydrophobicContact CE2-CG2 3.47Å; Y250-I344 VanDerWaalsContact CE2-CG2 3.47Å; Y250-I344 HydrophobicContact CG-CG2 4.28Å |
| 251 | H | 86.2 | Confident | 71.4 | Confident | 6 Ų | 6 | 77.7 Ų | 77.7 | 3% | 0.028 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 178.2 | 166 | 62.5 | 0 | 0 | 0 | 113.3 | C235 C238 Y242 G247 L248 T253 H254 T255 H256 | C235-H251 WeakPolarHBondContact CB-CD2 3.44Å; C235-H251 WeakPolarHBondContact CB-NE2 3.22Å; C235-H251 VanDerWaalsContact SG-CD2 3.54Å; C235-H251 PolarHBondContact SG-NE2 3.33Å; C238-H251 PolarHBondContact SG-CE1 3.4Å; C238-H251 PolarHBondContact SG-NE2 2.76Å; Y242-H251 HydrophobicContact CE1-CB 3.83Å; Y242-H251 HydrophobicContact CE2-CB 3.73Å; Y242-H251 AromaticContact CE2-CD2 3.29Å; Y242-H251 WeakPolarHBondContact CE2-CD2 3.39Å; Y242-H251 AromaticContact CE2-CG 3.5Å; Y242-H251 VanDerWaalsContact CE2-CG 3.5Å; Y242-H251 AromaticContact CE2-NE2 3.96Å; Y242-H251 AromaticContact CZ-CD2 3.62Å; Y242-H251 AromaticContact CZ-CG 3.3Å; Y242-H251 AromaticContact CZ-ND1 3.87Å; Y242-H251 WeakPolarHBondContact OH-CB 3.43Å; Y242-H251 PolarHBondContact OH-CD2 3.36Å; Y242-H251 PolarHBondContact OH-ND1 2.5Å; G247-H251 WeakPolarHBondContact O-CB 3.47Å; G247-H251 PolarHBondContact O-N 3.13Å; L248-H251 PolarHBondContact O-N 3Å; H251-T253 VanDerWaalsContact C-N 3.31Å; H251-T253 PolarHBondContact O-N 2.94Å; H251-H254 PolarHBondContact O-N 3.48Å; H251-T255 PolarHBondContact CE1-OG1 3.35Å; H251-T255 PolarHBondContact ND1-OG1 3.46Å; H251-T255 VanDerWaalsContact O-CB 3.29Å; H251-T255 WeakPolarHBondContact O-CB 3.48Å; H251-T255 PolarHBondContact O-N 3.31Å; H251-T255 PolarHBondContact O-OG1 3.01Å; H251-T255 VanDerWaalsContact O-OG1 3.13Å; H251-H256 AromaticContact CE1-NE2 3.61Å; H251-H256 AromaticContact NE2-CD2 3.84Å; H251-H256 AromaticContact NE2-NE2 3.53Å |
| 252 | Y | 79.4 | Confident | 69.1 | Low | 88 Ų | 88 | 77.8 Ų | 77.8 | 35% | 0.345 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 178.6 | -160.5 | -91 | 0 | 0 | 0 | 111.5 | D236 I237 L248 S249 Y250 H256 L257 | D236-Y252 WeakPolarHBondContact OD1-CE2 3.07Å; I237-Y252 HydrophobicContact CD1-CD2 4.16Å; I237-Y252 HydrophobicContact CD1-CE2 3.47Å; I237-Y252 VanDerWaalsContact CD1-CE2 3.47Å; I237-Y252 HydrophobicContact CG1-CE2 3.98Å; L248-Y252 WeakPolarHBondContact O-CB 3.28Å; L248-Y252 PolarHBondContact O-N 2.87Å; S249-Y252 PolarHBondContact O-N 2.89Å; Y250-Y252 VanDerWaalsContact C-N 3.33Å; Y250-Y252 PolarHBondContact O-N 2.91Å; Y252-H256 PolarHBondContact O-N 3.47Å; Y252-L257 HydrophobicContact CD1-CD1 3.91Å; Y252-L257 HydrophobicContact CE1-CD1 4.21Å |
| 253 | T | 74.6 | Confident | 66.7 | Low | 44 Ų | 44 | 84.7 Ų | 84.7 | 27% | 0.27 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -74.8 | -30.3 | 178.7 | 49.4 | 0 | 0 | 0 | 0 | 114.2 | S249 Y250 H251 L257 | S249-T253 WeakPolarHBondContact O-CB 3.42Å; S249-T253 WeakPolarHBondContact O-CG2 3.25Å; S249-T253 PolarHBondContact O-N 3.32Å; S249-T253 PolarHBondContact O-OG1 3.13Å; Y250-T253 WeakPolarHBondContact CA-OG1 3.45Å; Y250-T253 PolarHBondContact O-N 2.72Å; Y250-T253 PolarHBondContact O-OG1 3.26Å; H251-T253 VanDerWaalsContact C-N 3.31Å; H251-T253 PolarHBondContact O-N 2.94Å; T253-L257 HydrophobicContact CG2-CD1 4.02Å |
| 254 | H | 64.4 | Low | 65.1 | Low | 51 Ų | 51 | 91.1 Ų | 91.1 | 24% | 0.236 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -97.5 | -19.7 | -176 | -76.2 | -74.3 | 0 | 0 | 0 | 115.7 | Y250 H251 F297 | Y250-H254 AromaticContact CD1-CD2 3.73Å; Y250-H254 AromaticContact CD2-CD2 3.19Å; Y250-H254 WeakPolarHBondContact CD2-CD2 3.32Å; Y250-H254 AromaticContact CD2-NE2 3.29Å; Y250-H254 VanDerWaalsContact CD2-NE2 3.29Å; Y250-H254 WeakPolarHBondContact CD2-NE2 3.15Å; Y250-H254 HydrophobicContact CE1-CB 4.41Å; Y250-H254 AromaticContact CE1-CD2 3.61Å; Y250-H254 AromaticContact CE2-CD2 3.07Å; Y250-H254 WeakPolarHBondContact CE2-CD2 3.36Å; Y250-H254 AromaticContact CE2-CE1 3.83Å; Y250-H254 AromaticContact CE2-NE2 2.87Å; Y250-H254 WeakPolarHBondContact CE2-NE2 3.38Å; Y250-H254 AromaticContact CG-CD2 3.52Å; Y250-H254 AromaticContact CZ-CD2 3.25Å; Y250-H254 AromaticContact CZ-CG 3.83Å; Y250-H254 AromaticContact CZ-NE2 3.4Å; Y250-H254 WeakPolarHBondContact O-CB 3.48Å; Y250-H254 PolarHBondContact O-CD2 3.42Å; Y250-H254 PolarHBondContact O-N 3.18Å; H251-H254 PolarHBondContact O-N 3.48Å; H254-F297 AromaticContact CD2-CE1 3.96Å; H254-F297 AromaticContact CE1-CD1 3.59Å; H254-F297 AromaticContact CE1-CE1 3.24Å; H254-F297 WeakPolarHBondContact CE1-CE1 3.34Å; H254-F297 AromaticContact CE1-CZ 3.48Å; H254-F297 VanDerWaalsContact CE1-CZ 3.48Å; H254-F297 WeakPolarHBondContact CE1-CZ 3.34Å; H254-F297 AromaticContact NE2-CD1 3.68Å; H254-F297 AromaticContact NE2-CE1 2.91Å; H254-F297 WeakPolarHBondContact NE2-CE1 3.37Å; H254-F297 AromaticContact NE2-CZ 3.22Å; H254-F297 WeakPolarHBondContact NE2-CZ 3.46Å |
| 255 | T | 74.7 | Confident | 62.9 | Low | 58 Ų | 58 | 95 Ų | 95 | 36% | 0.356 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -110.9 | -26.5 | -174.5 | -46.6 | 0 | 0 | 0 | 0 | 113.2 | H251 | H251-T255 PolarHBondContact CE1-OG1 3.35Å; H251-T255 PolarHBondContact ND1-OG1 3.46Å; H251-T255 VanDerWaalsContact O-CB 3.29Å; H251-T255 WeakPolarHBondContact O-CB 3.48Å; H251-T255 PolarHBondContact O-N 3.31Å; H251-T255 PolarHBondContact O-OG1 3.01Å; H251-T255 VanDerWaalsContact O-OG1 3.13Å |
| 256 | H | 76.6 | Confident | 61.2 | Low | 49 Ų | 49 | 91.5 Ų | 91.5 | 23% | 0.227 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | -13.1 | -171.3 | -64.7 | -54.5 | 0 | 0 | 0 | 114.7 | C235 I237 C238 H251 Y252 | C235-H256 VanDerWaalsContact SG-CD2 3.59Å; I237-H256 HydrophobicContact CD1-CB 3.43Å; I237-H256 VanDerWaalsContact CD1-CB 3.43Å; I237-H256 HydrophobicContact CG2-CB 4.37Å; I237-H256 WeakPolarHBondContact CG2-CE1 3.39Å; I237-H256 WeakPolarHBondContact CG2-ND1 3.18Å; C238-H256 WeakPolarHBondContact CB-NE2 3.29Å; H251-H256 AromaticContact CE1-NE2 3.61Å; H251-H256 AromaticContact NE2-CD2 3.84Å; H251-H256 AromaticContact NE2-NE2 3.53Å; Y252-H256 PolarHBondContact O-N 3.47Å |
| 257 | L | 61.9 | Low | 58.9 | Low | 114 Ų | 114 | 96.4 Ų | 96.4 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -101.6 | 9.9 | -179.8 | -84.8 | 158.2 | 0 | 0 | 0 | 113.5 | Y252 T253 | Y252-L257 HydrophobicContact CD1-CD1 3.91Å; Y252-L257 HydrophobicContact CE1-CD1 4.21Å; T253-L257 HydrophobicContact CG2-CD1 4.02Å |
| 258 | A | 49.9 | Very low | 56.9 | Low | 75 Ų | 75 | 106.7 Ų | 106.7 | 62% | 0.62 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -101.2 | -6.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 259 | D | 44.8 | Very low | 54.2 | Low | 142 Ų | 142 | 114.8 Ų | 114.8 | 76% | 0.759 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -113 | 0.8 | -169.5 | -69.1 | -26.1 | 0 | 0 | 0 | 115.2 | ||
| 260 | E | 50.9 | Low | 52.2 | Low | 162 Ų | 162 | 118.9 Ų | 118.9 | 76% | 0.757 | 61% | 0.612 | S | S | * | * | trans | -108.8 | 90.2 | 174.2 | -61.1 | -160.5 | 153.7 | 0 | 0 | 109.8 | ||||
| 261 | E | 40.8 | Very low | 49.6 | Very low | 184 Ų | 184 | 124 Ų | 124 | 86% | 0.86 | 64% | 0.642 | S | S | * | * | S | Bend | 157.4 | 86.5 | 129.2 | -79.5 | 170.5 | -159.1 | 0 | 0 | 113.6 | |||
| 262 | G | 35 | Very low | 47.6 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | 101 | 114.5 | 129.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 263 | E | 36.6 | Very low | 45.2 | Very low | 197 Ų | 197 | 133.8 Ų | 133.8 | 92% | 0.921 | 70% | 0.699 | S | S | * | * | trans | -148.9 | 114 | 145.2 | -75 | -166.1 | 171.9 | 0 | 0 | 112 | ||||
| 264 | E | 36.3 | Very low | 43.5 | Very low | 202 Ų | 202 | 140 Ų | 140 | 94% | 0.944 | 73% | 0.725 | S | S | * | * | -125.6 | 133.3 | 129.5 | -92.3 | -171.5 | 158.8 | 0 | 0 | 103.4 | |||||
| 265 | D | 30.1 | Very low | 42.2 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | cis | -163.1 | 136 | 25.6 | 169.2 | 33.3 | 0 | 0 | 0 | 108.4 | ||||
| 266 | S | 34 | Very low | 40.2 | Very low | 97 Ų | 97 | 153.9 Ų | 153.9 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 165.8 | 118.1 | 130.8 | -79.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 267 | E | 30.8 | Very low | 38.7 | Very low | 182 Ų | 182 | 156.5 Ų | 156.5 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | 79 | 90.3 | 149.2 | -56.7 | -167.9 | 153.5 | 0 | 0 | 119.5 | H269 | E267-H269 PolarHBondContact O-N 2.9Š| ||
| 268 | R | 39.6 | Very low | 37.7 | Very low | 241 Ų | 241 | 156.6 Ų | 156.6 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | 5.9 | 107.4 | 140.9 | -59.9 | 178.3 | -143.4 | -160.6 | 3 | 115.5 | ||||
| 269 | H | 29.5 | Very low | 38.2 | Very low | 193 Ų | 193 | 156.7 Ų | 156.7 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -138.2 | 111.6 | 130.9 | -91 | 174.9 | 0 | 0 | 0 | 109.4 | E267 L271 | E267-H269 PolarHBondContact O-N 2.9Å; H269-L271 PolarHBondContact O-N 3.37Å | ||
| 270 | T | 37.2 | Very low | 39 | Very low | 136 Ų | 136 | 158.2 Ų | 158.2 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -55.7 | 113.3 | 169.9 | 29.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 271 | L | 28.5 | Very low | 39.8 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -147.8 | 132.7 | 149.8 | -74.6 | -175.8 | 0 | 0 | 0 | 112.1 | H269 | H269-L271 PolarHBondContact O-N 3.37Š| ||
| 272 | P | 44.4 | Very low | 41.4 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | trans | -86.8 | 113.7 | -178.4 | 31.8 | -29.1 | 0 | 0 | 0 | 110.6 | ||||
| 273 | F | 29.5 | Very low | 43.4 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | -149.7 | 108.2 | 165.1 | -114.7 | -86.2 | 0 | 0 | 0 | 112.8 | R275 | F273-R275 PolarHBondContact O-N 2.87Å; F273-R275 VanDerWaalsContact O-N 3.08Å | ||
| 274 | Q | 39.1 | Very low | 45.3 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -48.1 | 111.9 | 150.2 | -68.9 | 175.5 | -61 | 0 | 0 | 108.1 | K276 | Q274-K276 VanDerWaalsContact C-N 3.32Å; Q274-K276 PolarHBondContact O-N 2.92Å | ||
| 275 | R | 36.4 | Very low | 46.8 | Very low | 241 Ų | 241 | 142.9 Ų | 142.9 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | trans | -70.6 | 90.4 | 175.1 | -80.3 | -172.9 | 178.2 | -177.5 | 2.5 | 109.6 | F273 S277 | F273-R275 PolarHBondContact O-N 2.87Å; F273-R275 VanDerWaalsContact O-N 3.08Å; R275-S277 PolarHBondContact O-N 2.75Å | ||
| 276 | K | 33.4 | Very low | 48.9 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | trans | -63.5 | 119.7 | 152.5 | -67.5 | -179.6 | 179.9 | 178.4 | 0 | 106.6 | Q274 N278 | Q274-K276 VanDerWaalsContact C-N 3.32Å; Q274-K276 PolarHBondContact O-N 2.92Å; K276-N278 PolarHBondContact O-N 2.81Å | ||
| 277 | S | 43.6 | Very low | 50.6 | Low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | trans | -63 | 88.6 | 169.8 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | R275 H279 | R275-S277 PolarHBondContact O-N 2.75Å; S277-H279 PolarHBondContact O-N 2.8Å | ||
| 278 | N | 42.3 | Very low | 52.8 | Low | 117 Ų | 117 | 133.5 Ų | 133.5 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | trans | -79.8 | 103.7 | 176.8 | -82.6 | -33.5 | 0 | 0 | 0 | 107.7 | K276 K280 | K276-N278 PolarHBondContact O-N 2.81Å; N278-K280 PolarHBondContact O-N 3.32Å | ||
| 279 | H | 59 | Low | 54.9 | Low | 76 Ų | 76 | 124.1 Ų | 124.1 | 35% | 0.352 | 64% | 0.642 | S | S | . | * | trans | -70.5 | 39 | 175.3 | -156.2 | -60.3 | 0 | 0 | 0 | 112.7 | S277 E345 | S277-H279 PolarHBondContact O-N 2.8Å; H279-E345 WeakPolarHBondContact NE2-CB 3.36Å | ||
| 280 | K | 61.6 | Low | 57.5 | Low | 174 Ų | 174 | 118.9 Ų | 118.9 | 76% | 0.757 | 62% | 0.62 | S | S | * | * | trans | -97.5 | 121.3 | -178.1 | -73.3 | -170.5 | 176.7 | -176 | 0 | 110.1 | N278 | N278-K280 PolarHBondContact O-N 3.32Š| ||
| 281 | P | 68.9 | Low | 59.8 | Low | 47 Ų | 47 | 114.8 Ų | 114.8 | 31% | 0.305 | 60% | 0.6 | S | S | . | * | trans | -63.2 | 135.9 | 176.5 | 22.6 | -30.4 | 0 | 0 | 0 | 110.8 | K283 V289 D316 | P281-K283 HydrophobicContact CB-CG 4.44Å; P281-K283 PolarHBondContact O-N 2.78Å; P281-V289 HydrophobicContact CB-CG1 4.35Å; P281-D316 WeakPolarHBondContact CB-O 3.28Å | ||
| 282 | K | 72.7 | Confident | 62.6 | Low | 144 Ų | 144 | 108.3 Ų | 108.3 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | trans | -77 | 111.8 | 164.4 | -68.2 | -178 | -179 | 175.2 | 0 | 107.4 | I290 | K282-I290 HydrophobicContact CB-CB 4.48Å; K282-I290 PolarHBondContact O-N 3.43Å | ||
| 283 | K | 77.9 | Confident | 64.5 | Low | 139 Ų | 139 | 106.6 Ų | 106.6 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | B | Isolated β-bridge | trans | -98.9 | 135.4 | 178.1 | -62.6 | -174.9 | -179.4 | -174 | 0 | 109.7 | P281 S288 | P281-K283 HydrophobicContact CB-CG 4.44Å; P281-K283 PolarHBondContact O-N 2.78Å; K283-S288 CarbonylContact C-O 3.55Å; K283-S288 WeakPolarHBondContact CA-O 3.45Å |
| 284 | A | 76.4 | Confident | 67.2 | Low | 21 Ų | 21 | 102.6 Ų | 102.6 | 17% | 0.174 | 55% | 0.55 | C | S | . | . | trans | -70.4 | 166.1 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | D286 G287 S288 I290 | A284-D286 WeakPolarHBondContact CB-OD1 3.22Å; A284-D286 PolarHBondContact O-N 3.41Å; A284-D286 VanDerWaalsContact O-N 3.07Å; A284-G287 PolarHBondContact O-N 3.24Å; A284-S288 PolarHBondContact N-O 3Å; A284-I290 HydrophobicContact CB-CD1 3.93Å; A284-I290 HydrophobicContact CB-CG1 3.78Å | ||
| 285 | P | 67.6 | Low | 69.6 | Low | 147 Ų | 147 | 94.3 Ų | 94.3 | 96% | 0.955 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21 | 179.4 | -23.4 | 33.6 | 0 | 0 | 0 | 114 | G287 | P285-G287 VanDerWaalsContact C-N 3.34Š|
| 286 | D | 73.8 | Confident | 72.1 | Confident | 123 Ų | 123 | 84.8 Ų | 84.8 | 66% | 0.658 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -0.1 | 176.1 | 67.5 | -4.4 | 0 | 0 | 0 | 113.7 | A284 S288 | A284-D286 WeakPolarHBondContact CB-OD1 3.22Å; A284-D286 PolarHBondContact O-N 3.41Å; A284-D286 VanDerWaalsContact O-N 3.07Å; D286-S288 VanDerWaalsContact C-N 3.29Å; D286-S288 VanDerWaalsContact CG-OG 3.27Å; D286-S288 PolarHBondContact O-N 2.83Å; D286-S288 VanDerWaalsContact OD1-CB 3.24Å; D286-S288 WeakPolarHBondContact OD1-CB 3.48Å; D286-S288 PolarHBondContact OD1-N 3.39Å; D286-S288 PolarHBondContact OD1-OG 2.86Å; D286-S288 PolarHBondContact OD2-OG 2.8Å |
| 287 | G | 70.9 | Confident | 74.6 | Confident | 48 Ų | 48 | 80.4 Ų | 80.4 | 50% | 0.495 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 82.1 | -1.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A284 P285 | A284-G287 PolarHBondContact O-N 3.24Å; P285-G287 VanDerWaalsContact C-N 3.34Å |
| 288 | S | 77.1 | Confident | 76.5 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 39% | 0.392 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 146.7 | 174.8 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | K283 A284 D286 | K283-S288 CarbonylContact C-O 3.55Å; K283-S288 WeakPolarHBondContact CA-O 3.45Å; A284-S288 PolarHBondContact N-O 3Å; D286-S288 VanDerWaalsContact C-N 3.29Å; D286-S288 VanDerWaalsContact CG-OG 3.27Å; D286-S288 PolarHBondContact O-N 2.83Å; D286-S288 VanDerWaalsContact OD1-CB 3.24Å; D286-S288 WeakPolarHBondContact OD1-CB 3.48Å; D286-S288 PolarHBondContact OD1-N 3.39Å; D286-S288 PolarHBondContact OD1-OG 2.86Å; D286-S288 PolarHBondContact OD2-OG 2.8Å |
| 289 | V | 83.8 | Confident | 78.4 | Confident | 43 Ų | 43 | 77.5 Ų | 77.5 | 26% | 0.261 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -80.3 | 124 | 178.5 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | P281 A291 A315 D316 G318 | P281-V289 HydrophobicContact CB-CG1 4.35Å; V289-A291 PolarHBondContact O-N 3.25Å; V289-A315 WeakPolarHBondContact CB-O 3.5Å; V289-A315 WeakPolarHBondContact CG2-O 3.36Å; V289-D316 WeakPolarHBondContact CG2-O 3.43Å; V289-G318 VanDerWaalsContact CG1-N 3.26Å |
| 290 | I | 83.9 | Confident | 78.9 | Confident | 83 Ų | 83 | 76.4 Ų | 76.4 | 43% | 0.426 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 120.3 | 179.7 | -56.6 | 173 | 0 | 0 | 0 | 108.4 | K282 A284 | K282-I290 HydrophobicContact CB-CB 4.48Å; K282-I290 PolarHBondContact O-N 3.43Å; A284-I290 HydrophobicContact CB-CD1 3.93Å; A284-I290 HydrophobicContact CB-CG1 3.78Å |
| 291 | A | 85.6 | Confident | 78.6 | Confident | 51 Ų | 51 | 69.6 Ų | 69.6 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 139.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V289 G318 | V289-A291 PolarHBondContact O-N 3.25Å; A291-G318 CarbonylContact C-O 3.53Å |
| 292 | N | 85.8 | Confident | 77.9 | Confident | 27 Ų | 27 | 71 Ų | 71 | 14% | 0.144 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 129.6 | 173 | -74.7 | -7.3 | 0 | 0 | 0 | 108.8 | Y294 G318 S320 | N292-Y294 HydrophobicContact CB-CD1 4.3Å; N292-Y294 HydrophobicContact CB-CE1 4.14Å; N292-Y294 PolarHBondContact O-N 3.42Å; N292-G318 WeakPolarHBondContact CB-O 3.21Å; N292-G318 PolarHBondContact N-O 3.18Å; N292-S320 PolarHBondContact N-OG 3.36Å; N292-S320 WeakPolarHBondContact O-CB 3.43Å; N292-S320 PolarHBondContact O-OG 3.06Å |
| 293 | G | 85.9 | Confident | 77 | Confident | 78 Ų | 78 | 72.8 Ų | 72.8 | 80% | 0.804 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -77 | 9.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 294 | Y | 86.5 | Confident | 75.9 | Confident | 103 Ų | 103 | 74.3 Ų | 74.3 | 40% | 0.404 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -137.1 | 152.9 | -178.9 | 67.6 | -90.3 | 0 | 0 | 0 | 110.2 | N292 D296 L299 S320 | N292-Y294 HydrophobicContact CB-CD1 4.3Å; N292-Y294 HydrophobicContact CB-CE1 4.14Å; N292-Y294 PolarHBondContact O-N 3.42Å; Y294-D296 VanDerWaalsContact CE2-OD1 3.28Å; Y294-D296 WeakPolarHBondContact CE2-OD1 3.31Å; Y294-L299 HydrophobicContact CD2-CD2 3.96Å; Y294-L299 HydrophobicContact CE2-CD2 3.88Å; Y294-S320 WeakPolarHBondContact O-CB 2.91Å |
| 295 | C | 88.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 46% | 0.463 | C | S | . | . | B | Isolated β-bridge | trans | -76.1 | 125.5 | 174.9 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | F297 C298 L299 L311 S320 H322 | C295-F297 PolarHBondContact O-N 3.3Å; C295-F297 VanDerWaalsContact O-N 3.13Å; C295-F297 PolarHBondContact SG-N 2.91Å; C295-C298 VanDerWaalsContact CB-SG 3.52Å; C295-C298 PolarHBondContact O-N 3.43Å; C295-L299 WeakPolarHBondContact O-CA 3.42Å; C295-L299 PolarHBondContact O-N 2.94Å; C295-L311 HydrophobicContact CB-CD2 3.66Å; C295-S320 CarbonylContact C-O 3.48Å; C295-S320 WeakPolarHBondContact CA-O 3.49Å; C295-H322 WeakPolarHBondContact CB-ND1 3.24Å; C295-H322 PolarHBondContact SG-N 3.49Å; C295-H322 VanDerWaalsContact SG-N 3.43Å |
| 296 | D | 87.8 | Confident | 74.2 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 22% | 0.219 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.1 | 178.3 | -81.5 | -2.3 | 0 | 0 | 0 | 113.4 | Y294 R319 S320 | Y294-D296 VanDerWaalsContact CE2-OD1 3.28Å; Y294-D296 WeakPolarHBondContact CE2-OD1 3.31Å; D296-R319 VanDerWaalsContact OD2-CB 3.22Å; D296-R319 WeakPolarHBondContact OD2-CB 3.13Å; D296-R319 VanDerWaalsContact OD2-CD 3.22Å; D296-R319 WeakPolarHBondContact OD2-CD 3.13Å; D296-R319 WeakPolarHBondContact OD2-CG 3.39Å; D296-R319 IonicContact OD2-NE 3.31Å; D296-S320 PolarHBondContact N-O 3.33Å |
| 297 | F | 85.9 | Confident | 73.5 | Confident | 68 Ų | 68 | 70.6 Ų | 70.6 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -34.7 | -178.9 | -60.8 | -96.8 | 0 | 0 | 0 | 113.8 | H254 C295 C325 L326 | H254-F297 AromaticContact CD2-CE1 3.96Å; H254-F297 AromaticContact CE1-CD1 3.59Å; H254-F297 AromaticContact CE1-CE1 3.24Å; H254-F297 WeakPolarHBondContact CE1-CE1 3.34Å; H254-F297 AromaticContact CE1-CZ 3.48Å; H254-F297 VanDerWaalsContact CE1-CZ 3.48Å; H254-F297 WeakPolarHBondContact CE1-CZ 3.34Å; H254-F297 AromaticContact NE2-CD1 3.68Å; H254-F297 AromaticContact NE2-CE1 2.91Å; H254-F297 WeakPolarHBondContact NE2-CE1 3.37Å; H254-F297 AromaticContact NE2-CZ 3.22Å; H254-F297 WeakPolarHBondContact NE2-CZ 3.46Å; C295-F297 PolarHBondContact O-N 3.3Å; C295-F297 VanDerWaalsContact O-N 3.13Å; C295-F297 PolarHBondContact SG-N 2.91Å; F297-C325 HydrophobicContact CB-CB 3.77Å; F297-C325 HydrophobicContact CD2-CB 3.99Å; F297-C325 HydrophobicContact CG-CB 3.91Å; F297-L326 HydrophobicContact CE2-CD2 3.43Å; F297-L326 VanDerWaalsContact CE2-CD2 3.43Å; F297-L326 HydrophobicContact CE2-CG 3.97Å; F297-L326 HydrophobicContact CZ-CD2 3.56Å; F297-L326 HydrophobicContact CZ-CG 4.4Å |
| 298 | C | 84.6 | Confident | 73.3 | Confident | 34 Ų | 34 | 74.7 Ų | 74.7 | 23% | 0.23 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -0.9 | -176.5 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | C295 G300 G301 H322 | C295-C298 VanDerWaalsContact CB-SG 3.52Å; C295-C298 PolarHBondContact O-N 3.43Å; C298-G300 PolarHBondContact O-N 2.62Å; C298-G301 PolarHBondContact O-N 2.91Å; C298-G301 PolarHBondContact SG-O 2.91Å; C298-G301 VanDerWaalsContact SG-O 3.39Å; C298-H322 PolarHBondContact SG-CE1 3.2Å; C298-H322 PolarHBondContact SG-ND1 2.86Å |
| 299 | L | 81 | Confident | 73.5 | Confident | 125 Ų | 125 | 74.5 Ų | 74.5 | 65% | 0.654 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 26.1 | 179.1 | -54.6 | 178.3 | 0 | 0 | 0 | 114.4 | Y294 C295 | Y294-L299 HydrophobicContact CD2-CD2 3.96Å; Y294-L299 HydrophobicContact CE2-CD2 3.88Å; C295-L299 WeakPolarHBondContact O-CA 3.42Å; C295-L299 PolarHBondContact O-N 2.94Å |
| 300 | G | 69.6 | Low | 73.6 | Confident | 52 Ų | 52 | 77.3 Ų | 77.3 | 54% | 0.536 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 0.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C298 S302 | C298-G300 PolarHBondContact O-N 2.62Å; G300-S302 PolarHBondContact O-N 2.87Å |
| 301 | G | 55.8 | Low | 73.9 | Confident | 31 Ų | 31 | 75.9 Ų | 75.9 | 32% | 0.32 | 46% | 0.46 | S | S | . | . | trans | -69.1 | 108.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | C298 K303 | C298-G301 PolarHBondContact O-N 2.91Å; C298-G301 PolarHBondContact SG-O 2.91Å; C298-G301 VanDerWaalsContact SG-O 3.39Å; G301-K303 PolarHBondContact O-N 3.43Å | ||
| 302 | S | 54.5 | Low | 74.3 | Confident | 77 Ų | 77 | 74 Ų | 74 | 54% | 0.538 | 44% | 0.442 | S | S | . | . | trans | -71 | 74.1 | 170.7 | -169.3 | 0 | 0 | 0 | 0 | 110 | G300 | G300-S302 PolarHBondContact O-N 2.87Š| ||
| 303 | K | 54.2 | Low | 74.6 | Confident | 181 Ų | 181 | 74.7 Ų | 74.7 | 79% | 0.787 | 45% | 0.45 | S | S | * | . | trans | -125.9 | 3.7 | -173.8 | -66.3 | -166.4 | -178.4 | -179.1 | 0 | 115.7 | G301 | G301-K303 PolarHBondContact O-N 3.43Š| ||
| 304 | K | 53.7 | Low | 75 | Confident | 172 Ų | 172 | 71.2 Ų | 71.2 | 75% | 0.748 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -109 | -27.4 | 174 | -71.9 | -170 | 178.4 | 179 | 0 | 115.1 | ||
| 305 | T | 53.5 | Low | 75.3 | Confident | 72 Ų | 72 | 67.2 Ų | 67.2 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -133.8 | -11.2 | -178.6 | 45.3 | 0 | 0 | 0 | 0 | 114.7 | C307 E309 | T305-C307 PolarHBondContact O-N 3.42Å; T305-E309 WeakPolarHBondContact CB-OE1 3.45Å; T305-E309 WeakPolarHBondContact CG2-OE1 3.46Å; T305-E309 PolarHBondContact OG1-OE1 3.46Å |
| 306 | G | 56.5 | Low | 75.4 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 64% | 0.639 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 64.2 | 0.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 307 | C | 57.6 | Low | 75.5 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 53% | 0.527 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -107.5 | 140.2 | -179.8 | -65.6 | 0 | 0 | 0 | 0 | 109.5 | T305 E309 | T305-C307 PolarHBondContact O-N 3.42Å; C307-E309 PolarHBondContact O-N 3.12Å; C307-E309 VanDerWaalsContact O-N 3.14Å |
| 308 | P | 68.3 | Low | 75.7 | Confident | 135 Ų | 135 | 65.9 Ų | 65.9 | 88% | 0.877 | 40% | 0.398 | S | S | * | . | trans | -65.5 | 112.9 | 169.7 | 27.6 | -31.8 | 0 | 0 | 0 | 109.1 | ||||
| 309 | E | 80.5 | Confident | 76 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 24% | 0.243 | 40% | 0.395 | C | S | . | . | trans | -105.9 | 134.9 | 173.2 | -71 | 177 | -157.3 | 0 | 0 | 109.5 | T305 C307 H322 S324 | T305-E309 WeakPolarHBondContact CB-OE1 3.45Å; T305-E309 WeakPolarHBondContact CG2-OE1 3.46Å; T305-E309 PolarHBondContact OG1-OE1 3.46Å; C307-E309 PolarHBondContact O-N 3.12Å; C307-E309 VanDerWaalsContact O-N 3.14Å; E309-H322 PolarHBondContact O-CD2 3.42Å; E309-S324 VanDerWaalsContact CD-OG 3.3Å; E309-S324 PolarHBondContact OE1-OG 3.25Å; E309-S324 WeakPolarHBondContact OE2-CB 3.37Å; E309-S324 PolarHBondContact OE2-N 2.92Å; E309-S324 PolarHBondContact OE2-OG 3.47Å | ||
| 310 | D | 85.9 | Confident | 76.5 | Confident | 101 Ų | 101 | 60.6 Ų | 60.6 | 54% | 0.54 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 138.3 | 175.9 | -36.9 | -58.8 | 0 | 0 | 0 | 110.9 | P323 R337 | D310-P323 VanDerWaalsContact O-CD 3.3Å; D310-P323 WeakPolarHBondContact O-CD 3.42Å; D310-R337 VanDerWaalsContact CB-NH2 3.35Å; D310-R337 IonicContact OD2-CZ 2.66Å; D310-R337 VanDerWaalsContact OD2-CZ 3.3Å; D310-R337 IonicContact OD2-NH1 2.87Å; D310-R337 PolarHBondContact OD2-NH1 3.13Å; D310-R337 IonicContact OD2-NH2 3.82Å; D310-R337 PolarHBondContact OD2-NH2 3.43Å |
| 311 | L | 91 | Very high | 77.6 | Confident | 54 Ų | 54 | 58.2 Ų | 58.2 | 28% | 0.283 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 137.2 | 177.7 | -67 | 171 | 0 | 0 | 0 | 112.1 | C295 H322 | C295-L311 HydrophobicContact CB-CD2 3.66Å; L311-H322 WeakPolarHBondContact CD2-CD2 3.39Å |
| 312 | I | 92.3 | Very high | 79.2 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.3 | 166 | -62.2 | 159.8 | 0 | 0 | 0 | 107.5 | S320 G321 P323 L326 F328 T333 V336 W341 | I312-S320 CarbonylContact O-C 3.54Å; I312-S320 VanDerWaalsContact O-CA 3.25Å; I312-S320 WeakPolarHBondContact O-CA 3.48Å; I312-G321 PolarHBondContact N-O 3.5Å; I312-G321 PolarHBondContact O-N 2.92Å; I312-P323 HydrophobicContact CD1-CB 4.06Å; I312-P323 HydrophobicContact CD1-CG 3.73Å; I312-P323 HydrophobicContact CG1-CG 4.31Å; I312-L326 HydrophobicContact CB-CD1 4.42Å; I312-F328 HydrophobicContact CD1-CD2 3.71Å; I312-F328 HydrophobicContact CD1-CE2 3.95Å; I312-T333 HydrophobicContact CD1-CG2 4.29Å; I312-V336 HydrophobicContact CD1-CG2 3.52Å; I312-V336 HydrophobicContact CG1-CG2 4.15Å; I312-V336 HydrophobicContact CG2-CG2 4.15Å; I312-W341 HydrophobicContact CG2-CB 4.49Å; I312-W341 HydrophobicContact CG2-CD2 3.75Å; I312-W341 HydrophobicContact CG2-CE3 3.54Å; I312-W341 HydrophobicContact CG2-CG 4.18Å; I312-W341 HydrophobicContact CG2-CZ3 3.99Å |
| 313 | S | 93.4 | Very high | 80.9 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 30% | 0.301 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.4 | -173.6 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | R319 S320 | S313-R319 CarbonylContact C-O 3.53Å; S313-R319 WeakPolarHBondContact CA-O 3.02Å; S313-S320 WeakPolarHBondContact CB-OG 3.49Å; S313-S320 PolarHBondContact OG-OG 3.2Å |
| 314 | C | 94.3 | Very high | 82.5 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | trans | -70.1 | 130.2 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | D316 C317 G318 R319 W341 C343 | C314-D316 PolarHBondContact O-N 3.16Å; C314-D316 PolarHBondContact SG-N 3.2Å; C314-D316 VanDerWaalsContact SG-N 3.39Å; C314-C317 VanDerWaalsContact CB-SG 3.58Å; C314-C317 PolarHBondContact SG-N 3.39Å; C314-C317 PolarHBondContact SG-SG 2.95Å; C314-G318 VanDerWaalsContact O-CA 3.29Å; C314-G318 WeakPolarHBondContact O-CA 3.37Å; C314-G318 PolarHBondContact O-N 2.87Å; C314-R319 PolarHBondContact N-O 3.26Å; C314-W341 HydrophobicContact CB-CE3 4.21Å; C314-W341 HydrophobicContact CB-CZ3 3.87Å; C314-C343 HydrophobicContact CB-CB 3.91Å; C314-C343 PolarHBondContact SG-N 3.41Å | ||
| 315 | A | 92.8 | Very high | 84.2 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V289 R340 W341 | V289-A315 WeakPolarHBondContact CB-O 3.5Å; V289-A315 WeakPolarHBondContact CG2-O 3.36Å; A315-R340 HydrophobicContact CB-CB 4.07Å; A315-W341 PolarHBondContact N-O 3.03Å |
| 316 | D | 89.4 | Confident | 85.9 | Confident | 67 Ų | 67 | 39.5 Ų | 39.5 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -37 | -171.8 | -61.4 | -26.9 | 0 | 0 | 0 | 113.6 | P281 V289 C314 Q342 C346 | P281-D316 WeakPolarHBondContact CB-O 3.28Å; V289-D316 WeakPolarHBondContact CG2-O 3.43Å; C314-D316 PolarHBondContact O-N 3.16Å; C314-D316 PolarHBondContact SG-N 3.2Å; C314-D316 VanDerWaalsContact SG-N 3.39Å; D316-Q342 WeakPolarHBondContact OD2-CG 3.16Å; D316-Q342 PolarHBondContact OD2-NE2 3.01Å; D316-C346 HydrophobicContact CB-CB 4.05Å |
| 317 | C | 90.1 | Very high | 87.4 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -13.4 | -179.7 | 69.9 | 0 | 0 | 0 | 0 | 114.5 | C314 R319 C343 | C314-C317 VanDerWaalsContact CB-SG 3.58Å; C314-C317 PolarHBondContact SG-N 3.39Å; C314-C317 PolarHBondContact SG-SG 2.95Å; C317-R319 PolarHBondContact O-N 2.8Å; C317-C343 PolarHBondContact SG-SG 3.37Å |
| 318 | G | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | 76.6 | -0.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V289 A291 N292 C314 S320 | V289-G318 VanDerWaalsContact CG1-N 3.26Å; A291-G318 CarbonylContact C-O 3.53Å; N292-G318 WeakPolarHBondContact CB-O 3.21Å; N292-G318 PolarHBondContact N-O 3.18Å; C314-G318 VanDerWaalsContact O-CA 3.29Å; C314-G318 WeakPolarHBondContact O-CA 3.37Å; C314-G318 PolarHBondContact O-N 2.87Å; G318-S320 PolarHBondContact O-OG 3.25Å | ||
| 319 | R | 91.3 | Very high | 89.9 | Confident | 45 Ų | 45 | 38.3 Ų | 38.3 | 17% | 0.17 | 21% | 0.208 | C | C | . | . | trans | -61.8 | 137.1 | 174.3 | -71.1 | -175 | 177.6 | 167.5 | 0.4 | 110.8 | D296 S313 C314 C317 | D296-R319 VanDerWaalsContact OD2-CB 3.22Å; D296-R319 WeakPolarHBondContact OD2-CB 3.13Å; D296-R319 VanDerWaalsContact OD2-CD 3.22Å; D296-R319 WeakPolarHBondContact OD2-CD 3.13Å; D296-R319 WeakPolarHBondContact OD2-CG 3.39Å; D296-R319 IonicContact OD2-NE 3.31Å; S313-R319 CarbonylContact C-O 3.53Å; S313-R319 WeakPolarHBondContact CA-O 3.02Å; C314-R319 PolarHBondContact N-O 3.26Å; C317-R319 PolarHBondContact O-N 2.8Å | ||
| 320 | S | 92.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146.6 | -173.4 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | N292 Y294 C295 D296 I312 S313 G318 | N292-S320 PolarHBondContact N-OG 3.36Å; N292-S320 WeakPolarHBondContact O-CB 3.43Å; N292-S320 PolarHBondContact O-OG 3.06Å; Y294-S320 WeakPolarHBondContact O-CB 2.91Å; C295-S320 CarbonylContact C-O 3.48Å; C295-S320 WeakPolarHBondContact CA-O 3.49Å; D296-S320 PolarHBondContact N-O 3.33Å; I312-S320 CarbonylContact O-C 3.54Å; I312-S320 VanDerWaalsContact O-CA 3.25Å; I312-S320 WeakPolarHBondContact O-CA 3.48Å; S313-S320 WeakPolarHBondContact CB-OG 3.49Å; S313-S320 PolarHBondContact OG-OG 3.2Å; G318-S320 PolarHBondContact O-OG 3.25Å |
| 321 | G | 91.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 147.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I312 | I312-G321 PolarHBondContact N-O 3.5Å; I312-G321 PolarHBondContact O-N 2.92Å |
| 322 | H | 89.9 | Confident | 90 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | trans | -67.6 | 144.8 | 168.7 | -60.8 | 122.3 | 0 | 0 | 0 | 109.6 | C295 C298 E309 L311 S324 C325 L326 | C295-H322 WeakPolarHBondContact CB-ND1 3.24Å; C295-H322 PolarHBondContact SG-N 3.49Å; C295-H322 VanDerWaalsContact SG-N 3.43Å; C298-H322 PolarHBondContact SG-CE1 3.2Å; C298-H322 PolarHBondContact SG-ND1 2.86Å; E309-H322 PolarHBondContact O-CD2 3.42Å; L311-H322 WeakPolarHBondContact CD2-CD2 3.39Å; H322-S324 PolarHBondContact O-N 2.88Å; H322-C325 HydrophobicContact CB-CB 4.06Å; H322-C325 WeakPolarHBondContact O-CB 3.1Å; H322-C325 PolarHBondContact O-N 3.47Å; H322-L326 PolarHBondContact O-N 2.93Å | ||
| 323 | P | 90.5 | Very high | 89.9 | Confident | 12 Ų | 12 | 40 Ų | 40 | 8% | 0.078 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -41.1 | 175.5 | -20.3 | 27.6 | 0 | 0 | 0 | 112.6 | D310 I312 C325 L326 Q327 F328 T333 | D310-P323 VanDerWaalsContact O-CD 3.3Å; D310-P323 WeakPolarHBondContact O-CD 3.42Å; I312-P323 HydrophobicContact CD1-CB 4.06Å; I312-P323 HydrophobicContact CD1-CG 3.73Å; I312-P323 HydrophobicContact CG1-CG 4.31Å; P323-C325 PolarHBondContact O-N 3.32Å; P323-L326 PolarHBondContact O-N 2.96Å; P323-Q327 PolarHBondContact O-N 3.32Å; P323-F328 HydrophobicContact CB-CB 4.38Å; P323-F328 PolarHBondContact O-N 3.36Å; P323-T333 HydrophobicContact CB-CG2 3.68Å; P323-T333 WeakPolarHBondContact CB-OG1 3.29Å; P323-T333 HydrophobicContact CG-CG2 3.61Å |
| 324 | S | 88.7 | Confident | 89.6 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -39.5 | 174.8 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | E309 H322 L326 Q327 | E309-S324 VanDerWaalsContact CD-OG 3.3Å; E309-S324 PolarHBondContact OE1-OG 3.25Å; E309-S324 WeakPolarHBondContact OE2-CB 3.37Å; E309-S324 PolarHBondContact OE2-N 2.92Å; E309-S324 PolarHBondContact OE2-OG 3.47Å; H322-S324 PolarHBondContact O-N 2.88Å; S324-L326 VanDerWaalsContact C-N 3.35Å; S324-Q327 PolarHBondContact O-N 2.82Å; S324-Q327 VanDerWaalsContact O-N 3.16Å |
| 325 | C | 88.6 | Confident | 89.4 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 11% | 0.108 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -33.4 | 178.9 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | F297 H322 P323 Q327 | F297-C325 HydrophobicContact CB-CB 3.77Å; F297-C325 HydrophobicContact CD2-CB 3.99Å; F297-C325 HydrophobicContact CG-CB 3.91Å; H322-C325 HydrophobicContact CB-CB 4.06Å; H322-C325 WeakPolarHBondContact O-CB 3.1Å; H322-C325 PolarHBondContact O-N 3.47Å; P323-C325 PolarHBondContact O-N 3.32Å; C325-Q327 PolarHBondContact O-N 3.27Å |
| 326 | L | 89.2 | Confident | 89.3 | Confident | 37 Ų | 37 | 40.9 Ų | 40.9 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -1.3 | 172.9 | -70.6 | 166 | 0 | 0 | 0 | 113.1 | F297 I312 H322 P323 S324 F328 W341 | F297-L326 HydrophobicContact CE2-CD2 3.43Å; F297-L326 VanDerWaalsContact CE2-CD2 3.43Å; F297-L326 HydrophobicContact CE2-CG 3.97Å; F297-L326 HydrophobicContact CZ-CD2 3.56Å; F297-L326 HydrophobicContact CZ-CG 4.4Å; I312-L326 HydrophobicContact CB-CD1 4.42Å; H322-L326 PolarHBondContact O-N 2.93Å; P323-L326 PolarHBondContact O-N 2.96Å; S324-L326 VanDerWaalsContact C-N 3.35Å; L326-F328 HydrophobicContact CB-CD1 3.77Å; L326-F328 HydrophobicContact CB-CD2 4.11Å; L326-F328 HydrophobicContact CB-CE1 3.84Å; L326-F328 HydrophobicContact CB-CE2 4.13Å; L326-F328 HydrophobicContact CB-CG 3.94Å; L326-F328 HydrophobicContact CB-CZ 4.02Å; L326-F328 HydrophobicContact CD1-CD2 4.25Å; L326-F328 HydrophobicContact CD1-CE2 3.79Å; L326-F328 HydrophobicContact CD1-CZ 4.08Å; L326-F328 HydrophobicContact CG-CZ 4.5Å; L326-F328 VanDerWaalsContact O-CD1 3.31Å; L326-F328 WeakPolarHBondContact O-CD1 3.22Å; L326-F328 PolarHBondContact O-N 3.47Å; L326-W341 HydrophobicContact CD1-CH2 4.11Å; L326-W341 HydrophobicContact CD1-CZ2 4.25Å; L326-W341 HydrophobicContact CD2-CH2 4.41Å; L326-W341 HydrophobicContact CD2-CZ2 4.49Å |
| 327 | Q | 87.7 | Confident | 89.3 | Confident | 145 Ų | 145 | 44.2 Ų | 44.2 | 68% | 0.678 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 34.8 | -175.2 | -56.1 | -179.1 | -5.9 | 0 | 0 | 113.1 | P323 S324 C325 | P323-Q327 PolarHBondContact O-N 3.32Å; S324-Q327 PolarHBondContact O-N 2.82Å; S324-Q327 VanDerWaalsContact O-N 3.16Å; C325-Q327 PolarHBondContact O-N 3.27Å |
| 328 | F | 90.1 | Very high | 89.2 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | trans | -79.9 | 139 | -179.7 | -70.9 | -5.6 | 0 | 0 | 0 | 112.6 | I312 P323 L326 M332 V336 W341 D368 | I312-F328 HydrophobicContact CD1-CD2 3.71Å; I312-F328 HydrophobicContact CD1-CE2 3.95Å; P323-F328 HydrophobicContact CB-CB 4.38Å; P323-F328 PolarHBondContact O-N 3.36Å; L326-F328 HydrophobicContact CB-CD1 3.77Å; L326-F328 HydrophobicContact CB-CD2 4.11Å; L326-F328 HydrophobicContact CB-CE1 3.84Å; L326-F328 HydrophobicContact CB-CE2 4.13Å; L326-F328 HydrophobicContact CB-CG 3.94Å; L326-F328 HydrophobicContact CB-CZ 4.02Å; L326-F328 HydrophobicContact CD1-CD2 4.25Å; L326-F328 HydrophobicContact CD1-CE2 3.79Å; L326-F328 HydrophobicContact CD1-CZ 4.08Å; L326-F328 HydrophobicContact CG-CZ 4.5Å; L326-F328 VanDerWaalsContact O-CD1 3.31Å; L326-F328 WeakPolarHBondContact O-CD1 3.22Å; L326-F328 PolarHBondContact O-N 3.47Å; F328-M332 HydrophobicContact CB-CE 3.82Å; F328-M332 HydrophobicContact CD1-CE 3.19Å; F328-M332 HydrophobicContact CD1-CG 4.42Å; F328-M332 HydrophobicContact CD1-SD 4.05Å; F328-M332 HydrophobicContact CD2-CG 4.47Å; F328-M332 HydrophobicContact CE1-CE 3.84Å; F328-M332 HydrophobicContact CE1-SD 4.18Å; F328-M332 HydrophobicContact CG-CE 3.67Å; F328-M332 HydrophobicContact CG-CG 4.26Å; F328-M332 HydrophobicContact CG-SD 4.47Å; F328-V336 HydrophobicContact CD2-CG2 4.25Å; F328-V336 HydrophobicContact CE2-CG1 4.14Å; F328-V336 HydrophobicContact CE2-CG2 4.12Å; F328-W341 HydrophobicContact CE2-CZ2 4.34Å; F328-W341 AromaticContact CZ-CZ2 3.94Å; F328-W341 HydrophobicContact CZ-CZ2 3.94Å; F328-W341 AromaticContact CZ-NE1 3.74Å; F328-D368 HydrophobicContact CZ-CB 4.31Å | ||
| 329 | T | 87.9 | Confident | 89.2 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 45% | 0.454 | 28% | 0.279 | S | S | . | . | trans | -69.6 | 160.9 | 167.3 | 67.1 | 0 | 0 | 0 | 0 | 110 | N331 M332 T333 | T329-N331 PolarHBondContact O-N 2.84Å; T329-M332 PolarHBondContact O-N 2.67Å; T329-M332 WeakPolarHBondContact OG1-CB 3.25Å; T329-M332 PolarHBondContact OG1-N 3.19Å; T329-T333 WeakPolarHBondContact O-CB 3.28Å; T329-T333 PolarHBondContact O-N 3.3Å; T329-T333 PolarHBondContact O-OG1 2.72Å | ||
| 330 | V | 86.1 | Confident | 89.2 | Confident | 124 Ų | 124 | 58.6 Ų | 58.6 | 75% | 0.752 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.9 | -39.9 | 177.9 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | T333 A334 | V330-T333 WeakPolarHBondContact O-CB 3.46Å; V330-T333 PolarHBondContact O-N 2.74Å; V330-A334 PolarHBondContact O-N 2.99Å |
| 331 | N | 84.3 | Confident | 89.3 | Confident | 91 Ų | 91 | 59 Ų | 59 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 177.8 | -69.7 | -8.8 | 0 | 0 | 0 | 111.7 | T329 T333 A334 A335 | T329-N331 PolarHBondContact O-N 2.84Å; N331-T333 VanDerWaalsContact C-N 3.32Å; N331-T333 PolarHBondContact O-N 3.29Å; N331-A334 PolarHBondContact O-N 3.5Å; N331-A335 WeakPolarHBondContact O-CB 3.37Å; N331-A335 PolarHBondContact O-N 2.8Å |
| 332 | M | 89.4 | Confident | 89.4 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 177.3 | -175.9 | 160.8 | 53.7 | 0 | 0 | 111.3 | F328 T329 A334 A335 V336 D366 D368 | F328-M332 HydrophobicContact CB-CE 3.82Å; F328-M332 HydrophobicContact CD1-CE 3.19Å; F328-M332 HydrophobicContact CD1-CG 4.42Å; F328-M332 HydrophobicContact CD1-SD 4.05Å; F328-M332 HydrophobicContact CD2-CG 4.47Å; F328-M332 HydrophobicContact CE1-CE 3.84Å; F328-M332 HydrophobicContact CE1-SD 4.18Å; F328-M332 HydrophobicContact CG-CE 3.67Å; F328-M332 HydrophobicContact CG-CG 4.26Å; F328-M332 HydrophobicContact CG-SD 4.47Å; T329-M332 PolarHBondContact O-N 2.67Å; T329-M332 WeakPolarHBondContact OG1-CB 3.25Å; T329-M332 PolarHBondContact OG1-N 3.19Å; M332-A334 VanDerWaalsContact C-N 3.34Å; M332-A334 PolarHBondContact O-N 2.88Å; M332-A335 PolarHBondContact O-N 3.08Å; M332-A335 VanDerWaalsContact O-N 3.12Å; M332-V336 HydrophobicContact CG-CG1 4.16Å; M332-V336 WeakPolarHBondContact O-CG1 3.3Å; M332-V336 WeakPolarHBondContact O-CG2 3.48Å; M332-V336 PolarHBondContact O-N 3.49Å; M332-D366 WeakPolarHBondContact CA-O 3.28Å; M332-D368 HydrophobicContact CG-CB 4.2Å; M332-D368 HydrophobicContact SD-CB 3.7Å |
| 333 | T | 89.8 | Confident | 89.6 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 14% | 0.135 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 174.9 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | I312 P323 T329 V330 N331 V336 R337 | I312-T333 HydrophobicContact CD1-CG2 4.29Å; P323-T333 HydrophobicContact CB-CG2 3.68Å; P323-T333 WeakPolarHBondContact CB-OG1 3.29Å; P323-T333 HydrophobicContact CG-CG2 3.61Å; T329-T333 WeakPolarHBondContact O-CB 3.28Å; T329-T333 PolarHBondContact O-N 3.3Å; T329-T333 PolarHBondContact O-OG1 2.72Å; V330-T333 WeakPolarHBondContact O-CB 3.46Å; V330-T333 PolarHBondContact O-N 2.74Å; N331-T333 VanDerWaalsContact C-N 3.32Å; N331-T333 PolarHBondContact O-N 3.29Å; T333-V336 WeakPolarHBondContact O-CG2 3.19Å; T333-R337 WeakPolarHBondContact O-CG 3.42Å |
| 334 | A | 87.8 | Confident | 89.7 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 50% | 0.496 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V330 N331 M332 R337 T338 | V330-A334 PolarHBondContact O-N 2.99Å; N331-A334 PolarHBondContact O-N 3.5Å; M332-A334 VanDerWaalsContact C-N 3.34Å; M332-A334 PolarHBondContact O-N 2.88Å; A334-R337 PolarHBondContact O-N 3.45Å; A334-T338 WeakPolarHBondContact O-CG2 3.5Å |
| 335 | A | 89.4 | Confident | 89.8 | Confident | 22 Ų | 22 | 64.5 Ų | 64.5 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.9 | -48.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N331 M332 R337 T338 Y339 C367 | N331-A335 WeakPolarHBondContact O-CB 3.37Å; N331-A335 PolarHBondContact O-N 2.8Å; M332-A335 PolarHBondContact O-N 3.08Å; M332-A335 VanDerWaalsContact O-N 3.12Å; A335-R337 PolarHBondContact O-N 3.08Å; A335-T338 WeakPolarHBondContact O-CB 3.48Å; A335-T338 PolarHBondContact O-N 2.82Å; A335-T338 PolarHBondContact O-OG1 2.9Å; A335-Y339 WeakPolarHBondContact O-CD1 3.29Å; A335-Y339 WeakPolarHBondContact O-CE1 3.5Å; A335-C367 HydrophobicContact CB-CB 3.75Å |
| 336 | V | 91.9 | Very high | 90 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64 | -23.2 | -177.9 | -62 | 0 | 0 | 0 | 0 | 113.4 | I312 F328 M332 T333 T338 Y339 W341 C367 D368 | I312-V336 HydrophobicContact CD1-CG2 3.52Å; I312-V336 HydrophobicContact CG1-CG2 4.15Å; I312-V336 HydrophobicContact CG2-CG2 4.15Å; F328-V336 HydrophobicContact CD2-CG2 4.25Å; F328-V336 HydrophobicContact CE2-CG1 4.14Å; F328-V336 HydrophobicContact CE2-CG2 4.12Å; M332-V336 HydrophobicContact CG-CG1 4.16Å; M332-V336 WeakPolarHBondContact O-CG1 3.3Å; M332-V336 WeakPolarHBondContact O-CG2 3.48Å; M332-V336 PolarHBondContact O-N 3.49Å; T333-V336 WeakPolarHBondContact O-CG2 3.19Å; V336-T338 VanDerWaalsContact C-N 3.3Å; V336-Y339 HydrophobicContact CB-CE1 4.42Å; V336-Y339 HydrophobicContact CG1-CE1 4.29Å; V336-Y339 VanDerWaalsContact O-O 3.07Å; V336-W341 HydrophobicContact CB-CB 4.11Å; V336-W341 HydrophobicContact CB-CG 4.04Å; V336-W341 VanDerWaalsContact CG1-CD1 3.47Å; V336-W341 HydrophobicContact CG1-CG 4.21Å; V336-C367 WeakPolarHBondContact CG1-O 3.38Å; V336-D368 HydrophobicContact CG1-CB 3.97Å |
| 337 | R | 89.2 | Confident | 90.3 | Very high | 136 Ų | 136 | 63.5 Ų | 63.5 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -20.2 | 172.5 | -70.2 | 177.1 | -179.8 | -151 | -0.7 | 113.3 | D310 T333 A334 A335 | D310-R337 VanDerWaalsContact CB-NH2 3.35Å; D310-R337 IonicContact OD2-CZ 2.66Å; D310-R337 VanDerWaalsContact OD2-CZ 3.3Å; D310-R337 IonicContact OD2-NH1 2.87Å; D310-R337 PolarHBondContact OD2-NH1 3.13Å; D310-R337 IonicContact OD2-NH2 3.82Å; D310-R337 PolarHBondContact OD2-NH2 3.43Å; T333-R337 WeakPolarHBondContact O-CG 3.42Å; A334-R337 PolarHBondContact O-N 3.45Å; A335-R337 PolarHBondContact O-N 3.08Å |
| 338 | T | 87.7 | Confident | 90.6 | Very high | 111 Ų | 111 | 57.8 Ų | 57.8 | 68% | 0.681 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11.6 | -177.4 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | A334 A335 V336 | A334-T338 WeakPolarHBondContact O-CG2 3.5Å; A335-T338 WeakPolarHBondContact O-CB 3.48Å; A335-T338 PolarHBondContact O-N 2.82Å; A335-T338 PolarHBondContact O-OG1 2.9Å; V336-T338 VanDerWaalsContact C-N 3.3Å |
| 339 | Y | 89.5 | Confident | 90.8 | Very high | 53 Ų | 53 | 56.3 Ų | 56.3 | 21% | 0.208 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.9 | 174.6 | -175.7 | 75 | -89.3 | 0 | 0 | 0 | 111.7 | A335 V336 W341 C367 R369 | A335-Y339 WeakPolarHBondContact O-CD1 3.29Å; A335-Y339 WeakPolarHBondContact O-CE1 3.5Å; V336-Y339 HydrophobicContact CB-CE1 4.42Å; V336-Y339 HydrophobicContact CG1-CE1 4.29Å; V336-Y339 VanDerWaalsContact O-O 3.07Å; Y339-W341 VanDerWaalsContact C-N 3.32Å; Y339-W341 HydrophobicContact CE2-CB 4.32Å; Y339-W341 PolarHBondContact O-N 2.89Å; Y339-C367 HydrophobicContact CE1-CB 4.49Å; Y339-C367 WeakPolarHBondContact CE1-O 3.44Å; Y339-C367 PolarHBondContact OH-O 2.64Å; Y339-R369 HydrophobicContact CE1-CG 4.25Å; Y339-R369 HydrophobicContact CE2-CG 3.9Å |
| 340 | R | 91.4 | Very high | 91.1 | Very high | 196 Ų | 196 | 55.9 Ų | 55.9 | 74% | 0.74 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 82.3 | 179 | -58.4 | -175.2 | 73.2 | 84.7 | 1.4 | 110.7 | A315 | A315-R340 HydrophobicContact CB-CB 4.07Š|
| 341 | W | 94.8 | Very high | 91.4 | Very high | 12 Ų | 12 | 54 Ų | 54 | 5% | 0.045 | 28% | 0.279 | C | S | . | . | trans | -65.2 | 141.8 | 178.8 | 176.8 | 82.2 | 0 | 0 | 0 | 112.3 | I312 C314 A315 L326 F328 V336 Y339 C343 D368 | I312-W341 HydrophobicContact CG2-CB 4.49Å; I312-W341 HydrophobicContact CG2-CD2 3.75Å; I312-W341 HydrophobicContact CG2-CE3 3.54Å; I312-W341 HydrophobicContact CG2-CG 4.18Å; I312-W341 HydrophobicContact CG2-CZ3 3.99Å; C314-W341 HydrophobicContact CB-CE3 4.21Å; C314-W341 HydrophobicContact CB-CZ3 3.87Å; A315-W341 PolarHBondContact N-O 3.03Å; L326-W341 HydrophobicContact CD1-CH2 4.11Å; L326-W341 HydrophobicContact CD1-CZ2 4.25Å; L326-W341 HydrophobicContact CD2-CH2 4.41Å; L326-W341 HydrophobicContact CD2-CZ2 4.49Å; F328-W341 HydrophobicContact CE2-CZ2 4.34Å; F328-W341 AromaticContact CZ-CZ2 3.94Å; F328-W341 HydrophobicContact CZ-CZ2 3.94Å; F328-W341 AromaticContact CZ-NE1 3.74Å; V336-W341 HydrophobicContact CB-CB 4.11Å; V336-W341 HydrophobicContact CB-CG 4.04Å; V336-W341 VanDerWaalsContact CG1-CD1 3.47Å; V336-W341 HydrophobicContact CG1-CG 4.21Å; Y339-W341 VanDerWaalsContact C-N 3.32Å; Y339-W341 HydrophobicContact CE2-CB 4.32Å; Y339-W341 PolarHBondContact O-N 2.89Å; W341-C343 HydrophobicContact CH2-CB 3.87Å; W341-C343 HydrophobicContact CZ2-CB 4.45Å; W341-C343 HydrophobicContact CZ3-CB 4.27Å; W341-D368 PolarHBondContact NE1-OD2 3.32Å | ||
| 342 | Q | 94.5 | Very high | 91.8 | Very high | 35 Ų | 35 | 52.4 Ų | 52.4 | 16% | 0.164 | 27% | 0.274 | C | S | . | . | trans | -116.4 | 141 | 177 | -65.9 | 172.8 | -37.9 | 0 | 0 | 109.2 | D316 C346 K347 S348 | D316-Q342 WeakPolarHBondContact OD2-CG 3.16Å; D316-Q342 PolarHBondContact OD2-NE2 3.01Å; Q342-C346 HydrophobicContact CB-CB 4.26Å; Q342-C346 VanDerWaalsContact CD-O 3.28Å; Q342-C346 PolarHBondContact OE1-O 3.3Å; Q342-K347 HydrophobicContact CB-CD 4.35Å; Q342-K347 VanDerWaalsContact O-CE 3.3Å; Q342-K347 WeakPolarHBondContact O-CE 3.33Å; Q342-K347 PolarHBondContact O-NZ 2.95Å; Q342-S348 PolarHBondContact NE2-OG 3.03Å; Q342-S348 VanDerWaalsContact NE2-OG 3.13Å; Q342-S348 PolarHBondContact OE1-OG 3.42Å | ||
| 343 | C | 93.3 | Very high | 91.9 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 8% | 0.081 | 30% | 0.297 | C | S | . | . | trans | -68.3 | 170 | 172 | 68.1 | 0 | 0 | 0 | 0 | 111 | C314 C317 W341 E345 C346 K347 | C314-C343 HydrophobicContact CB-CB 3.91Å; C314-C343 PolarHBondContact SG-N 3.41Å; C317-C343 PolarHBondContact SG-SG 3.37Å; W341-C343 HydrophobicContact CH2-CB 3.87Å; W341-C343 HydrophobicContact CZ2-CB 4.45Å; W341-C343 HydrophobicContact CZ3-CB 4.27Å; C343-E345 PolarHBondContact O-N 3.49Å; C343-C346 CarbonylContact O-C 3.59Å; C343-C346 PolarHBondContact O-N 2.61Å; C343-K347 PolarHBondContact O-N 3.27Å | ||
| 344 | I | 91.8 | Very high | 92 | Very high | 54 Ų | 54 | 55.7 Ų | 55.7 | 28% | 0.277 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -54 | -40.4 | -178.6 | -169.9 | 162.3 | 0 | 0 | 0 | 113.1 | Y250 K347 F363 | Y250-I344 HydrophobicContact CD2-CG2 3.72Å; Y250-I344 HydrophobicContact CE1-CG2 4.39Å; Y250-I344 HydrophobicContact CE2-CG2 3.47Å; Y250-I344 VanDerWaalsContact CE2-CG2 3.47Å; Y250-I344 HydrophobicContact CG-CG2 4.28Å; I344-K347 PolarHBondContact O-N 3.29Å; I344-F363 HydrophobicContact CD1-CE2 3.84Å; I344-F363 HydrophobicContact CD1-CZ 4.43Å; I344-F363 HydrophobicContact CG1-CE2 3.73Å; I344-F363 HydrophobicContact CG1-CZ 3.9Å |
| 345 | E | 90.9 | Very high | 92.1 | Very high | 104 Ų | 104 | 56.3 Ų | 56.3 | 49% | 0.486 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -74.1 | -26.6 | -179.4 | -57.7 | -64.9 | 135.9 | 0 | 0 | 113.2 | H279 C343 | H279-E345 WeakPolarHBondContact NE2-CB 3.36Å; C343-E345 PolarHBondContact O-N 3.49Å |
| 346 | C | 93.3 | Very high | 92 | Very high | 23 Ų | 23 | 61.8 Ų | 61.8 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -99.2 | 5.1 | 178.5 | -67 | 0 | 0 | 0 | 0 | 112.6 | D316 Q342 C343 S348 | D316-C346 HydrophobicContact CB-CB 4.05Å; Q342-C346 HydrophobicContact CB-CB 4.26Å; Q342-C346 VanDerWaalsContact CD-O 3.28Å; Q342-C346 PolarHBondContact OE1-O 3.3Å; C343-C346 CarbonylContact O-C 3.59Å; C343-C346 PolarHBondContact O-N 2.61Å; C346-S348 PolarHBondContact O-N 3.28Å |
| 347 | K | 94.7 | Very high | 91.9 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | trans | -66.4 | 126.3 | -171.7 | -162.1 | 75.6 | 64.5 | 174.4 | 0 | 109.9 | Q342 C343 I344 S355 L361 F363 D368 | Q342-K347 HydrophobicContact CB-CD 4.35Å; Q342-K347 VanDerWaalsContact O-CE 3.3Å; Q342-K347 WeakPolarHBondContact O-CE 3.33Å; Q342-K347 PolarHBondContact O-NZ 2.95Å; C343-K347 PolarHBondContact O-N 3.27Å; I344-K347 PolarHBondContact O-N 3.29Å; K347-S355 VanDerWaalsContact O-CB 3.31Å; K347-S355 WeakPolarHBondContact O-CB 2.99Å; K347-L361 HydrophobicContact CB-CD2 4.12Å; K347-L361 HydrophobicContact CG-CD2 4.09Å; K347-F363 HydrophobicContact CB-CE1 4.04Å; K347-F363 HydrophobicContact CB-CZ 4.37Å; K347-F363 HydrophobicContact CG-CD1 4.03Å; K347-F363 HydrophobicContact CG-CE1 3.64Å; K347-F363 HydrophobicContact CG-CZ 4.38Å; K347-D368 WeakPolarHBondContact CE-O 3.24Å; K347-D368 VanDerWaalsContact NZ-CG 3.3Å; K347-D368 PolarHBondContact NZ-O 3.48Å; K347-D368 IonicContact NZ-OD1 2.67Å; K347-D368 IonicContact NZ-OD2 2.92Å; K347-D368 PolarHBondContact NZ-OD2 3.19Å | ||
| 348 | S | 94.8 | Very high | 91.8 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | trans | -114.6 | 152.8 | 173.3 | 59.7 | 0 | 0 | 0 | 0 | 110.6 | Q342 C346 S350 T354 | Q342-S348 PolarHBondContact NE2-OG 3.03Å; Q342-S348 VanDerWaalsContact NE2-OG 3.13Å; Q342-S348 PolarHBondContact OE1-OG 3.42Å; C346-S348 PolarHBondContact O-N 3.28Å; S348-S350 PolarHBondContact O-N 3.25Å; S348-T354 WeakPolarHBondContact CA-O 3.14Å | ||
| 349 | C | 95.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -68.1 | 130.6 | 174.8 | 174 | 0 | 0 | 0 | 0 | 110.5 | L351 C352 G353 T354 L361 G370 H372 | C349-L351 PolarHBondContact O-N 3.45Å; C349-L351 VanDerWaalsContact O-N 3.15Å; C349-L351 PolarHBondContact SG-N 3.03Å; C349-C352 WeakPolarHBondContact CB-SG 3.24Å; C349-G353 WeakPolarHBondContact O-CA 3.46Å; C349-G353 PolarHBondContact O-N 3.12Å; C349-T354 PolarHBondContact N-O 2.77Å; C349-L361 HydrophobicContact CB-CD1 3.8Å; C349-G370 CarbonylContact C-O 3.51Å; C349-G370 WeakPolarHBondContact CA-O 3.29Å; C349-H372 WeakPolarHBondContact CB-ND1 3.15Å; C349-H372 PolarHBondContact SG-N 2.82Å; C349-H372 VanDerWaalsContact SG-N 3.43Å |
| 350 | S | 92.9 | Very high | 91.8 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -6.9 | 179.9 | -57.7 | 0 | 0 | 0 | 0 | 113.9 | S348 G370 | S348-S350 PolarHBondContact O-N 3.25Å; S350-G370 PolarHBondContact N-O 2.75Å; S350-G370 PolarHBondContact OG-O 3.05Å |
| 351 | L | 92.7 | Very high | 92 | Very high | 85 Ų | 85 | 53.8 Ų | 53.8 | 45% | 0.445 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -50.5 | -179.7 | -62 | 175.5 | 0 | 0 | 0 | 112.1 | C349 Y371 C375 L376 | C349-L351 PolarHBondContact O-N 3.45Å; C349-L351 VanDerWaalsContact O-N 3.15Å; C349-L351 PolarHBondContact SG-N 3.03Å; L351-Y371 HydrophobicContact CD1-CD1 3.86Å; L351-Y371 HydrophobicContact CD1-CE1 4.39Å; L351-Y371 HydrophobicContact CD2-CE1 4.34Å; L351-Y371 HydrophobicContact CG-CD1 3.81Å; L351-Y371 HydrophobicContact CG-CE1 4.02Å; L351-C375 HydrophobicContact CB-CB 4.03Å; L351-C375 HydrophobicContact CD1-CB 3.82Å; L351-C375 WeakPolarHBondContact CD1-O 3.48Å; L351-L376 HydrophobicContact CD1-CD2 4.36Å |
| 352 | C | 93.5 | Very high | 91.9 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -12.4 | -179.3 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | C349 T354 H372 | C349-C352 WeakPolarHBondContact CB-SG 3.24Å; C352-T354 PolarHBondContact O-N 2.92Å; C352-T354 PolarHBondContact SG-OG1 2.81Å; C352-H372 PolarHBondContact SG-ND1 3.48Å |
| 353 | G | 91.3 | Very high | 91.9 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | trans | 74.3 | -0.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C349 | C349-G353 WeakPolarHBondContact O-CA 3.46Å; C349-G353 PolarHBondContact O-N 3.12Å | ||
| 354 | T | 91.1 | Very high | 91.9 | Very high | 53 Ų | 53 | 55 Ų | 55 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | trans | -91.7 | 154.3 | -179.7 | 72.2 | 0 | 0 | 0 | 0 | 111.4 | S348 C349 C352 H372 | S348-T354 WeakPolarHBondContact CA-O 3.14Å; C349-T354 PolarHBondContact N-O 2.77Å; C352-T354 PolarHBondContact O-N 2.92Å; C352-T354 PolarHBondContact SG-OG1 2.81Å; T354-H372 PolarHBondContact OG1-CE1 2.78Å | ||
| 355 | S | 91.5 | Very high | 91.9 | Very high | 74 Ų | 74 | 55.6 Ų | 55.6 | 52% | 0.517 | 32% | 0.317 | S | S | . | . | trans | -107.6 | 13.5 | 170 | 64 | 0 | 0 | 0 | 0 | 112 | K347 | K347-S355 VanDerWaalsContact O-CB 3.31Å; K347-S355 WeakPolarHBondContact O-CB 2.99Å | ||
| 356 | E | 86.4 | Confident | 91.8 | Very high | 136 Ų | 136 | 51.2 Ų | 51.2 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | trans | -74 | 160.1 | 175.6 | -61 | -175 | 175.6 | 0 | 0 | 109.9 | D358 H372 | E356-D358 PolarHBondContact O-N 2.72Å; E356-H372 PolarHBondContact O-CE1 3.32Å; E356-H372 VanDerWaalsContact O-CE1 3.3Å; E356-H372 PolarHBondContact O-NE2 2.92Å | ||
| 357 | N | 88.9 | Confident | 91.8 | Very high | 80 Ų | 80 | 50.1 Ų | 50.1 | 43% | 0.428 | 29% | 0.289 | S | S | . | . | trans | 51.7 | 53.4 | -178.4 | -52.7 | -47.2 | 0 | 0 | 0 | 112.8 | D359 Q360 H372 Y374 | N357-D359 VanDerWaalsContact CA-OD1 3.23Å; N357-D359 WeakPolarHBondContact CA-OD1 3.27Å; N357-D359 PolarHBondContact O-N 3.3Å; N357-Q360 PolarHBondContact O-N 2.83Å; N357-Q360 VanDerWaalsContact O-N 3.13Å; N357-H372 PolarHBondContact O-CD2 3.49Å; N357-H372 PolarHBondContact O-NE2 2.85Å; N357-Y374 HydrophobicContact CB-CE1 4.27Å; N357-Y374 PolarHBondContact ND2-OH 3.42Å | ||
| 358 | D | 88.6 | Confident | 91.8 | Very high | 99 Ų | 99 | 50.6 Ų | 50.6 | 53% | 0.529 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -62.8 | -16.6 | 178.9 | 67.9 | -39.8 | 0 | 0 | 0 | 112.9 | K243 E356 Q360 L361 | K243-D358 WeakPolarHBondContact CE-OD2 3.4Å; K243-D358 IonicContact NZ-OD1 3.3Å; K243-D358 PolarHBondContact NZ-OD1 3.49Å; K243-D358 IonicContact NZ-OD2 2.82Å; K243-D358 PolarHBondContact NZ-OD2 2.9Å; E356-D358 PolarHBondContact O-N 2.72Å; D358-Q360 VanDerWaalsContact C-N 3.32Å; D358-L361 PolarHBondContact O-N 3.48Å |
| 359 | D | 87.2 | Confident | 91.8 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 35% | 0.353 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -65.1 | -32.7 | 172.4 | 52.5 | -54.8 | 0 | 0 | 0 | 113.2 | K243 N357 | K243-D359 HydrophobicContact CD-CB 3.63Å; K243-D359 VanDerWaalsContact NZ-CB 3.27Å; N357-D359 VanDerWaalsContact CA-OD1 3.23Å; N357-D359 WeakPolarHBondContact CA-OD1 3.27Å; N357-D359 PolarHBondContact O-N 3.3Å |
| 360 | Q | 90.3 | Very high | 91.8 | Very high | 69 Ų | 69 | 51.7 Ų | 51.7 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -105.5 | 11.6 | -178.5 | -71.5 | 168 | 66.8 | 0 | 0 | 111.9 | N357 D358 H372 M373 Y374 | N357-Q360 PolarHBondContact O-N 2.83Å; N357-Q360 VanDerWaalsContact O-N 3.13Å; D358-Q360 VanDerWaalsContact C-N 3.32Å; Q360-H372 CarbonylContact O-C 3.55Å; Q360-H372 VanDerWaalsContact O-CA 3.27Å; Q360-H372 WeakPolarHBondContact O-CA 3.21Å; Q360-M373 HydrophobicContact CB-SD 4.33Å; Q360-M373 HydrophobicContact CG-SD 4.44Å; Q360-M373 WeakPolarHBondContact O-CG 3.45Å; Q360-M373 PolarHBondContact O-N 3.39Å; Q360-Y374 HydrophobicContact CB-CD1 4.36Å; Q360-Y374 HydrophobicContact CB-CE1 4.31Å |
| 361 | L | 93.7 | Very high | 91.9 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 9% | 0.089 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 105.6 | -179.3 | -171.5 | 68.5 | 0 | 0 | 0 | 110.2 | K347 C349 D358 F363 | K347-L361 HydrophobicContact CB-CD2 4.12Å; K347-L361 HydrophobicContact CG-CD2 4.09Å; C349-L361 HydrophobicContact CB-CD1 3.8Å; D358-L361 PolarHBondContact O-N 3.48Å; L361-F363 HydrophobicContact CD2-CE1 4.03Å; L361-F363 HydrophobicContact CG-CE1 4.07Å |
| 362 | L | 93.3 | Very high | 92 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 12% | 0.12 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 144.5 | 176.2 | -63.2 | 178.1 | 0 | 0 | 0 | 111.5 | G370 Y371 M373 L376 M380 P383 P384 W388 | L362-G370 CarbonylContact O-C 3.57Å; L362-G370 VanDerWaalsContact O-CA 3.26Å; L362-G370 WeakPolarHBondContact O-CA 3.18Å; L362-Y371 PolarHBondContact N-O 3.33Å; L362-Y371 PolarHBondContact O-N 3.43Å; L362-M373 HydrophobicContact CD1-CG 3.66Å; L362-M373 HydrophobicContact CD2-CG 4.18Å; L362-M373 HydrophobicContact CD2-SD 4.28Å; L362-M373 HydrophobicContact CG-CG 3.63Å; L362-M373 HydrophobicContact CG-SD 4.36Å; L362-L376 HydrophobicContact CD1-CD1 4.43Å; L362-M380 HydrophobicContact CD1-CE 3.32Å; L362-P383 HydrophobicContact CD2-CB 4.1Å; L362-P384 HydrophobicContact CD1-CG 4.31Å; L362-W388 HydrophobicContact CB-CE3 4.1Å; L362-W388 HydrophobicContact CB-CZ3 4.01Å; L362-W388 HydrophobicContact CD1-CD2 4.31Å |
| 363 | F | 94.9 | Very high | 91.9 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 27% | 0.272 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.9 | 170.4 | -53.3 | -22.9 | 0 | 0 | 0 | 109.5 | I344 K347 L361 | I344-F363 HydrophobicContact CD1-CE2 3.84Å; I344-F363 HydrophobicContact CD1-CZ 4.43Å; I344-F363 HydrophobicContact CG1-CE2 3.73Å; I344-F363 HydrophobicContact CG1-CZ 3.9Å; K347-F363 HydrophobicContact CB-CE1 4.04Å; K347-F363 HydrophobicContact CB-CZ 4.37Å; K347-F363 HydrophobicContact CG-CD1 4.03Å; K347-F363 HydrophobicContact CG-CE1 3.64Å; K347-F363 HydrophobicContact CG-CZ 4.38Å; L361-F363 HydrophobicContact CD2-CE1 4.03Å; L361-F363 HydrophobicContact CG-CE1 4.07Å |
| 364 | C | 93.3 | Very high | 92 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | trans | -72.5 | 125.3 | 175.9 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | D366 C367 D368 R369 W388 C390 | C364-D366 PolarHBondContact O-N 2.84Å; C364-C367 PolarHBondContact O-N 3.37Å; C364-D368 VanDerWaalsContact O-CA 3.26Å; C364-D368 WeakPolarHBondContact O-CA 3.32Å; C364-D368 PolarHBondContact O-N 2.93Å; C364-R369 PolarHBondContact N-O 2.7Å; C364-W388 HydrophobicContact CB-CE3 4.36Å; C364-W388 HydrophobicContact CB-CZ3 4Å; C364-C390 HydrophobicContact CB-CB 3.92Å; C364-C390 PolarHBondContact SG-N 3.07Å; C364-C390 VanDerWaalsContact SG-SG 3.62Å | ||
| 365 | D | 91.1 | Very high | 92.1 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 35% | 0.353 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -21 | -178.6 | -69 | -46.8 | 0 | 0 | 0 | 114 | S387 W388 | D365-S387 WeakPolarHBondContact OD2-CA 3.19Å; D365-S387 VanDerWaalsContact OD2-CB 3.31Å; D365-S387 WeakPolarHBondContact OD2-CB 3.13Å; D365-W388 PolarHBondContact N-O 2.96Å; D365-W388 PolarHBondContact OD2-N 3.5Å |
| 366 | D | 90.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -16.8 | 179 | -68.1 | -58.5 | 0 | 0 | 0 | 114.8 | M332 C364 S389 C393 L397 S402 | M332-D366 WeakPolarHBondContact CA-O 3.28Å; C364-D366 PolarHBondContact O-N 2.84Å; D366-S389 WeakPolarHBondContact OD2-CB 3.31Å; D366-S389 PolarHBondContact OD2-OG 3.2Å; D366-C393 HydrophobicContact CB-CB 3.94Å; D366-L397 HydrophobicContact CB-CD1 4.12Å; D366-S402 PolarHBondContact OD2-N 3.14Å; D366-S402 PolarHBondContact OD2-OG 3.44Å |
| 367 | C | 91.9 | Very high | 92 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -147.2 | -1.2 | -177.4 | 74.5 | 0 | 0 | 0 | 0 | 115.8 | A335 V336 Y339 C364 R369 C390 C393 | A335-C367 HydrophobicContact CB-CB 3.75Å; V336-C367 WeakPolarHBondContact CG1-O 3.38Å; Y339-C367 HydrophobicContact CE1-CB 4.49Å; Y339-C367 WeakPolarHBondContact CE1-O 3.44Å; Y339-C367 PolarHBondContact OH-O 2.64Å; C364-C367 PolarHBondContact O-N 3.37Å; C367-R369 PolarHBondContact O-N 2.93Å; C367-R369 PolarHBondContact SG-NH1 3.18Å; C367-R369 VanDerWaalsContact SG-NH1 3.36Å; C367-C390 VanDerWaalsContact SG-SG 3.68Å; C367-C393 VanDerWaalsContact CB-SG 3.54Å; C367-C393 PolarHBondContact SG-SG 2.86Å |
| 368 | D | 95.1 | Very high | 91.9 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | trans | 60.4 | 17.4 | -179.5 | -155.6 | 41 | 0 | 0 | 0 | 115.6 | F328 M332 V336 W341 K347 C364 | F328-D368 HydrophobicContact CZ-CB 4.31Å; M332-D368 HydrophobicContact CG-CB 4.2Å; M332-D368 HydrophobicContact SD-CB 3.7Å; V336-D368 HydrophobicContact CG1-CB 3.97Å; W341-D368 PolarHBondContact NE1-OD2 3.32Å; K347-D368 WeakPolarHBondContact CE-O 3.24Å; K347-D368 VanDerWaalsContact NZ-CG 3.3Å; K347-D368 PolarHBondContact NZ-O 3.48Å; K347-D368 IonicContact NZ-OD1 2.67Å; K347-D368 IonicContact NZ-OD2 2.92Å; K347-D368 PolarHBondContact NZ-OD2 3.19Å; C364-D368 VanDerWaalsContact O-CA 3.26Å; C364-D368 WeakPolarHBondContact O-CA 3.32Å; C364-D368 PolarHBondContact O-N 2.93Å | ||
| 369 | R | 94.3 | Very high | 91.9 | Very high | 48 Ų | 48 | 40.7 Ų | 40.7 | 18% | 0.181 | 22% | 0.224 | C | C | . | . | trans | -73.9 | 140.7 | 173.4 | -76 | -177.3 | 179.9 | 82.7 | -3.6 | 111.1 | Y339 C364 C367 Y371 | Y339-R369 HydrophobicContact CE1-CG 4.25Å; Y339-R369 HydrophobicContact CE2-CG 3.9Å; C364-R369 PolarHBondContact N-O 2.7Å; C367-R369 PolarHBondContact O-N 2.93Å; C367-R369 PolarHBondContact SG-NH1 3.18Å; C367-R369 VanDerWaalsContact SG-NH1 3.36Å; R369-Y371 HydrophobicContact CB-CD2 4.32Å; R369-Y371 HydrophobicContact CB-CE2 3.49Å; R369-Y371 VanDerWaalsContact CB-CE2 3.49Å; R369-Y371 WeakPolarHBondContact O-CD2 3.47Å | ||
| 370 | G | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 136.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | C349 S350 L362 | C349-G370 CarbonylContact C-O 3.51Å; C349-G370 WeakPolarHBondContact CA-O 3.29Å; S350-G370 PolarHBondContact N-O 2.75Å; S350-G370 PolarHBondContact OG-O 3.05Å; L362-G370 CarbonylContact O-C 3.57Å; L362-G370 VanDerWaalsContact O-CA 3.26Å; L362-G370 WeakPolarHBondContact O-CA 3.18Å |
| 371 | Y | 95.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 125.3 | 173.8 | -64.1 | -90.1 | 0 | 0 | 0 | 110.9 | L351 L362 R369 L376 W388 C390 H391 | L351-Y371 HydrophobicContact CD1-CD1 3.86Å; L351-Y371 HydrophobicContact CD1-CE1 4.39Å; L351-Y371 HydrophobicContact CD2-CE1 4.34Å; L351-Y371 HydrophobicContact CG-CD1 3.81Å; L351-Y371 HydrophobicContact CG-CE1 4.02Å; L362-Y371 PolarHBondContact N-O 3.33Å; L362-Y371 PolarHBondContact O-N 3.43Å; R369-Y371 HydrophobicContact CB-CD2 4.32Å; R369-Y371 HydrophobicContact CB-CE2 3.49Å; R369-Y371 VanDerWaalsContact CB-CE2 3.49Å; R369-Y371 WeakPolarHBondContact O-CD2 3.47Å; Y371-L376 HydrophobicContact CD1-CD2 4.17Å; Y371-L376 HydrophobicContact CG-CD2 4.23Å; Y371-W388 AromaticContact CD2-CH2 3.51Å; Y371-W388 HydrophobicContact CD2-CH2 3.51Å; Y371-W388 AromaticContact CD2-CZ3 3.85Å; Y371-W388 HydrophobicContact CD2-CZ3 3.85Å; Y371-W388 HydrophobicContact CE2-CH2 4.31Å; Y371-W388 AromaticContact CG-CH2 3.82Å; Y371-W388 HydrophobicContact CG-CH2 3.82Å; Y371-W388 HydrophobicContact CG-CZ3 4.5Å; Y371-C390 HydrophobicContact CD2-CB 3.76Å; Y371-C390 HydrophobicContact CE2-CB 3.14Å; Y371-H391 AromaticContact CE1-CE1 3.65Å; Y371-H391 AromaticContact CE1-ND1 3.92Å |
| 372 | H | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 137.7 | 169.8 | -69 | 116.1 | 0 | 0 | 0 | 110.3 | C349 C352 T354 E356 N357 Q360 Y374 C375 L376 | C349-H372 WeakPolarHBondContact CB-ND1 3.15Å; C349-H372 PolarHBondContact SG-N 2.82Å; C349-H372 VanDerWaalsContact SG-N 3.43Å; C352-H372 PolarHBondContact SG-ND1 3.48Å; T354-H372 PolarHBondContact OG1-CE1 2.78Å; E356-H372 PolarHBondContact O-CE1 3.32Å; E356-H372 VanDerWaalsContact O-CE1 3.3Å; E356-H372 PolarHBondContact O-NE2 2.92Å; N357-H372 PolarHBondContact O-CD2 3.49Å; N357-H372 PolarHBondContact O-NE2 2.85Å; Q360-H372 CarbonylContact O-C 3.55Å; Q360-H372 VanDerWaalsContact O-CA 3.27Å; Q360-H372 WeakPolarHBondContact O-CA 3.21Å; H372-Y374 HydrophobicContact CB-CD1 3.88Å; H372-Y374 HydrophobicContact CB-CD2 4.15Å; H372-Y374 HydrophobicContact CB-CE1 3.55Å; H372-Y374 HydrophobicContact CB-CE2 3.86Å; H372-Y374 HydrophobicContact CB-CG 4.16Å; H372-Y374 AromaticContact CD2-CE1 3.69Å; H372-Y374 AromaticContact CD2-CZ 3.74Å; H372-Y374 PolarHBondContact CD2-OH 3.34Å; H372-Y374 PolarHBondContact CE1-OH 2.78Å; H372-Y374 AromaticContact CG-CE1 3.63Å; H372-Y374 AromaticContact CG-CZ 3.4Å; H372-Y374 VanDerWaalsContact CG-OH 3.29Å; H372-Y374 AromaticContact ND1-CZ 3.74Å; H372-Y374 PolarHBondContact ND1-OH 3.33Å; H372-Y374 PolarHBondContact NE2-OH 3.39Å; H372-Y374 PolarHBondContact O-N 2.85Å; H372-C375 HydrophobicContact CB-CB 3.96Å; H372-C375 PolarHBondContact O-N 2.93Å; H372-L376 PolarHBondContact O-N 3.42Å |
| 373 | M | 91.9 | Very high | 90.9 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -55.6 | -38.2 | 177.1 | -67.1 | 167.9 | 49.6 | 0 | 0 | 112.1 | Q360 L362 P379 M380 S381 E382 | Q360-M373 HydrophobicContact CB-SD 4.33Å; Q360-M373 HydrophobicContact CG-SD 4.44Å; Q360-M373 WeakPolarHBondContact O-CG 3.45Å; Q360-M373 PolarHBondContact O-N 3.39Å; L362-M373 HydrophobicContact CD1-CG 3.66Å; L362-M373 HydrophobicContact CD2-CG 4.18Å; L362-M373 HydrophobicContact CD2-SD 4.28Å; L362-M373 HydrophobicContact CG-CG 3.63Å; L362-M373 HydrophobicContact CG-SD 4.36Å; M373-P379 WeakPolarHBondContact O-CA 3.4Å; M373-M380 HydrophobicContact CB-CB 4.18Å; M373-M380 VanDerWaalsContact CB-O 3.32Å; M373-M380 WeakPolarHBondContact CB-O 3.38Å; M373-M380 HydrophobicContact CE-CB 4.35Å; M373-M380 WeakPolarHBondContact CE-O 3.18Å; M373-M380 PolarHBondContact O-N 2.96Å; M373-S381 VanDerWaalsContact CE-O 3.3Å; M373-S381 WeakPolarHBondContact CE-O 3.39Å; M373-E382 VanDerWaalsContact CE-CA 3.41Å; M373-E382 WeakPolarHBondContact CE-O 3.48Å |
| 374 | Y | 93.2 | Very high | 90.4 | Very high | 94 Ų | 94 | 50.2 Ų | 50.2 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -78.4 | -17.4 | 177.1 | 60.7 | -99.2 | 0 | 0 | 0 | 114.4 | N357 Q360 H372 L376 | N357-Y374 HydrophobicContact CB-CE1 4.27Å; N357-Y374 PolarHBondContact ND2-OH 3.42Å; Q360-Y374 HydrophobicContact CB-CD1 4.36Å; Q360-Y374 HydrophobicContact CB-CE1 4.31Å; H372-Y374 HydrophobicContact CB-CD1 3.88Å; H372-Y374 HydrophobicContact CB-CD2 4.15Å; H372-Y374 HydrophobicContact CB-CE1 3.55Å; H372-Y374 HydrophobicContact CB-CE2 3.86Å; H372-Y374 HydrophobicContact CB-CG 4.16Å; H372-Y374 AromaticContact CD2-CE1 3.69Å; H372-Y374 AromaticContact CD2-CZ 3.74Å; H372-Y374 PolarHBondContact CD2-OH 3.34Å; H372-Y374 PolarHBondContact CE1-OH 2.78Å; H372-Y374 AromaticContact CG-CE1 3.63Å; H372-Y374 AromaticContact CG-CZ 3.4Å; H372-Y374 VanDerWaalsContact CG-OH 3.29Å; H372-Y374 AromaticContact ND1-CZ 3.74Å; H372-Y374 PolarHBondContact ND1-OH 3.33Å; H372-Y374 PolarHBondContact NE2-OH 3.39Å; H372-Y374 PolarHBondContact O-N 2.85Å; Y374-L376 VanDerWaalsContact C-N 3.33Å |
| 375 | C | 92.5 | Very high | 89.9 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 24% | 0.243 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -82.8 | -14.4 | 174.7 | -71.7 | 0 | 0 | 0 | 0 | 112.4 | L351 H372 | L351-C375 HydrophobicContact CB-CB 4.03Å; L351-C375 HydrophobicContact CD1-CB 3.82Å; L351-C375 WeakPolarHBondContact CD1-O 3.48Å; H372-C375 HydrophobicContact CB-CB 3.96Å; H372-C375 PolarHBondContact O-N 2.93Å |
| 376 | L | 90.9 | Very high | 89.6 | Confident | 23 Ų | 23 | 60 Ų | 60 | 12% | 0.12 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -71.1 | 157.9 | 177.4 | -61.8 | 174.4 | 0 | 0 | 0 | 111.2 | L351 L362 Y371 H372 Y374 P378 P379 M380 W388 | L351-L376 HydrophobicContact CD1-CD2 4.36Å; L362-L376 HydrophobicContact CD1-CD1 4.43Å; Y371-L376 HydrophobicContact CD1-CD2 4.17Å; Y371-L376 HydrophobicContact CG-CD2 4.23Å; H372-L376 PolarHBondContact O-N 3.42Å; Y374-L376 VanDerWaalsContact C-N 3.33Å; L376-P378 VanDerWaalsContact C-C 3.49Å; L376-P378 CarbonylContact C-O 3.52Å; L376-P378 WeakPolarHBondContact CB-O 3.46Å; L376-P378 CarbonylContact O-C 3.26Å; L376-P378 VanDerWaalsContact O-C 3.26Å; L376-P379 VanDerWaalsContact O-CA 3.3Å; L376-P379 WeakPolarHBondContact O-CA 3.47Å; L376-P379 VanDerWaalsContact O-N 3.08Å; L376-M380 HydrophobicContact CD1-CE 3.26Å; L376-M380 HydrophobicContact CD1-CG 4.31Å; L376-W388 HydrophobicContact CD1-CH2 4.46Å; L376-W388 HydrophobicContact CD1-CZ2 3.75Å; L376-W388 HydrophobicContact CD2-CH2 4.33Å; L376-W388 HydrophobicContact CD2-CZ2 4Å |
| 377 | S | 85.3 | Confident | 89.3 | Confident | 124 Ų | 124 | 62.7 Ų | 62.7 | 87% | 0.867 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -128.4 | 105.8 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 378 | P | 86.7 | Confident | 89.3 | Confident | 96 Ų | 96 | 63.5 Ų | 63.5 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | S | Bend | cis | -69.6 | 152.6 | 0.1 | 30.1 | -35.4 | 0 | 0 | 0 | 113.1 | L376 | L376-P378 VanDerWaalsContact C-C 3.49Å; L376-P378 CarbonylContact C-O 3.52Å; L376-P378 WeakPolarHBondContact CB-O 3.46Å; L376-P378 CarbonylContact O-C 3.26Å; L376-P378 VanDerWaalsContact O-C 3.26Å |
| 379 | P | 89.6 | Confident | 89.1 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 58% | 0.578 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 145.2 | 175.6 | 28.9 | -33.9 | 0 | 0 | 0 | 110.2 | M373 L376 | M373-P379 WeakPolarHBondContact O-CA 3.4Å; L376-P379 VanDerWaalsContact O-CA 3.3Å; L376-P379 WeakPolarHBondContact O-CA 3.47Å; L376-P379 VanDerWaalsContact O-N 3.08Å |
| 380 | M | 86.8 | Confident | 88.9 | Confident | 50 Ų | 50 | 60.4 Ų | 60.4 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 138.6 | 177.4 | -63.6 | -160.9 | -75.5 | 0 | 0 | 110.4 | L362 M373 L376 P384 W388 | L362-M380 HydrophobicContact CD1-CE 3.32Å; M373-M380 HydrophobicContact CB-CB 4.18Å; M373-M380 VanDerWaalsContact CB-O 3.32Å; M373-M380 WeakPolarHBondContact CB-O 3.38Å; M373-M380 HydrophobicContact CE-CB 4.35Å; M373-M380 WeakPolarHBondContact CE-O 3.18Å; M373-M380 PolarHBondContact O-N 2.96Å; L376-M380 HydrophobicContact CD1-CE 3.26Å; L376-M380 HydrophobicContact CD1-CG 4.31Å; M380-P384 HydrophobicContact CE-CG 4.31Å; M380-W388 HydrophobicContact CE-CZ2 4.44Å |
| 381 | S | 83.9 | Confident | 88.5 | Confident | 114 Ų | 114 | 63.9 Ų | 63.9 | 80% | 0.797 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -92.7 | -27.7 | 176 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | M373 | M373-S381 VanDerWaalsContact CE-O 3.3Å; M373-S381 WeakPolarHBondContact CE-O 3.39Å |
| 382 | E | 85.3 | Confident | 88.2 | Confident | 149 Ų | 149 | 66.9 Ų | 66.9 | 70% | 0.696 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -128.7 | 146.9 | -179.3 | -66.4 | -176.1 | 177.7 | 0 | 0 | 110.7 | M373 | M373-E382 VanDerWaalsContact CE-CA 3.41Å; M373-E382 WeakPolarHBondContact CE-O 3.48Å |
| 383 | P | 86.3 | Confident | 87.9 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 53% | 0.532 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 136.2 | 175.2 | 26 | -33 | 0 | 0 | 0 | 109.6 | L362 | L362-P383 HydrophobicContact CD2-CB 4.1Š|
| 384 | P | 84.8 | Confident | 87.6 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 28% | 0.279 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 143.3 | -176.3 | 23.1 | -32.2 | 0 | 0 | 0 | 112.1 | L362 M380 G386 W388 | L362-P384 HydrophobicContact CD1-CG 4.31Å; M380-P384 HydrophobicContact CE-CG 4.31Å; P384-G386 PolarHBondContact O-N 3.32Å; P384-W388 HydrophobicContact CB-CB 4.4Å; P384-W388 HydrophobicContact CG-CB 3.56Å; P384-W388 HydrophobicContact CG-CG 3.7Å |
| 385 | E | 82 | Confident | 87.2 | Confident | 202 Ų | 202 | 73.9 Ų | 73.9 | 94% | 0.944 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -73.6 | 119.2 | 173.6 | -65.2 | -171.6 | 171.2 | 0 | 0 | 110.1 | ||
| 386 | G | 84.9 | Confident | 86.7 | Confident | 71 Ų | 71 | 79.7 Ų | 79.7 | 73% | 0.732 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 90.7 | -146.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P384 | P384-G386 PolarHBondContact O-N 3.32Š|
| 387 | S | 85.1 | Confident | 85.9 | Confident | 67 Ų | 67 | 81.2 Ų | 81.2 | 47% | 0.469 | 46% | 0.457 | S | S | . | . | trans | -81.7 | 146.8 | -177.6 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | D365 A403 | D365-S387 WeakPolarHBondContact OD2-CA 3.19Å; D365-S387 VanDerWaalsContact OD2-CB 3.31Å; D365-S387 WeakPolarHBondContact OD2-CB 3.13Å; S387-A403 VanDerWaalsContact O-CB 3.31Å; S387-A403 WeakPolarHBondContact O-CB 3.25Å | ||
| 388 | W | 90.1 | Very high | 85.4 | Confident | 17 Ų | 17 | 82.7 Ų | 82.7 | 6% | 0.064 | 45% | 0.448 | C | S | . | . | trans | -133.9 | 128.7 | 178.8 | 178.8 | 82.4 | 0 | 0 | 0 | 112.5 | L362 C364 D365 Y371 L376 M380 P384 C390 | L362-W388 HydrophobicContact CB-CE3 4.1Å; L362-W388 HydrophobicContact CB-CZ3 4.01Å; L362-W388 HydrophobicContact CD1-CD2 4.31Å; C364-W388 HydrophobicContact CB-CE3 4.36Å; C364-W388 HydrophobicContact CB-CZ3 4Å; D365-W388 PolarHBondContact N-O 2.96Å; D365-W388 PolarHBondContact OD2-N 3.5Å; Y371-W388 AromaticContact CD2-CH2 3.51Å; Y371-W388 HydrophobicContact CD2-CH2 3.51Å; Y371-W388 AromaticContact CD2-CZ3 3.85Å; Y371-W388 HydrophobicContact CD2-CZ3 3.85Å; Y371-W388 HydrophobicContact CE2-CH2 4.31Å; Y371-W388 AromaticContact CG-CH2 3.82Å; Y371-W388 HydrophobicContact CG-CH2 3.82Å; Y371-W388 HydrophobicContact CG-CZ3 4.5Å; L376-W388 HydrophobicContact CD1-CH2 4.46Å; L376-W388 HydrophobicContact CD1-CZ2 3.75Å; L376-W388 HydrophobicContact CD2-CH2 4.33Å; L376-W388 HydrophobicContact CD2-CZ2 4Å; M380-W388 HydrophobicContact CE-CZ2 4.44Å; P384-W388 HydrophobicContact CB-CB 4.4Å; P384-W388 HydrophobicContact CG-CB 3.56Å; P384-W388 HydrophobicContact CG-CG 3.7Å; W388-C390 HydrophobicContact CH2-CB 3.74Å; W388-C390 HydrophobicContact CZ2-CB 4.37Å; W388-C390 HydrophobicContact CZ3-CB 4.09Å | ||
| 389 | S | 90.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 86.3 Ų | 86.3 | 1% | 0.007 | 46% | 0.456 | C | S | . | . | trans | -108.3 | 133.1 | 176.9 | -51.4 | 0 | 0 | 0 | 0 | 110.7 | D366 S402 A403 | D366-S389 WeakPolarHBondContact OD2-CB 3.31Å; D366-S389 PolarHBondContact OD2-OG 3.2Å; S389-S402 PolarHBondContact OG-N 2.96Å; S389-S402 PolarHBondContact OG-OG 3.39Å; S389-A403 PolarHBondContact OG-N 3.32Å; S389-A403 VanDerWaalsContact OG-N 3.1Å | ||
| 390 | C | 90.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 90.1 Ų | 90.1 | 0% | 0 | 46% | 0.464 | C | S | . | . | trans | -70.3 | 161.4 | 174.2 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | C364 C367 Y371 W388 L392 C393 L394 | C364-C390 HydrophobicContact CB-CB 3.92Å; C364-C390 PolarHBondContact SG-N 3.07Å; C364-C390 VanDerWaalsContact SG-SG 3.62Å; C367-C390 VanDerWaalsContact SG-SG 3.68Å; Y371-C390 HydrophobicContact CD2-CB 3.76Å; Y371-C390 HydrophobicContact CE2-CB 3.14Å; W388-C390 HydrophobicContact CH2-CB 3.74Å; W388-C390 HydrophobicContact CZ2-CB 4.37Å; W388-C390 HydrophobicContact CZ3-CB 4.09Å; C390-L392 PolarHBondContact O-N 2.82Å; C390-C393 PolarHBondContact O-N 2.76Å; C390-L394 WeakPolarHBondContact O-CG 3.39Å; C390-L394 PolarHBondContact O-N 3.35Å | ||
| 391 | H | 87.8 | Confident | 82.1 | Confident | 75 Ų | 75 | 88.2 Ų | 88.2 | 35% | 0.347 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -55.4 | -28.9 | -179.2 | 69.8 | -86.8 | 0 | 0 | 0 | 114.4 | Y371 R395 | Y371-H391 AromaticContact CE1-CE1 3.65Å; Y371-H391 AromaticContact CE1-ND1 3.92Å; H391-R395 WeakPolarHBondContact O-CB 3.11Å; H391-R395 PolarHBondContact O-N 3.04Å |
| 392 | L | 89.4 | Confident | 81.1 | Confident | 63 Ų | 63 | 85.3 Ų | 85.3 | 33% | 0.33 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.5 | -45.3 | 175.1 | -61 | 179.6 | 0 | 0 | 0 | 111.6 | C390 R395 Q396 | C390-L392 PolarHBondContact O-N 2.82Å; L392-R395 PolarHBondContact O-N 3.37Å; L392-Q396 WeakPolarHBondContact O-CB 3.36Å; L392-Q396 PolarHBondContact O-N 3.47Å |
| 393 | C | 88.8 | Confident | 80 | Confident | 10 Ų | 10 | 78.8 Ų | 78.8 | 7% | 0.068 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 176.6 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | D366 C367 C390 R395 Q396 L397 | D366-C393 HydrophobicContact CB-CB 3.94Å; C367-C393 VanDerWaalsContact CB-SG 3.54Å; C367-C393 PolarHBondContact SG-SG 2.86Å; C390-C393 PolarHBondContact O-N 2.76Å; C393-R395 VanDerWaalsContact C-N 3.33Å; C393-R395 PolarHBondContact O-N 2.7Å; C393-Q396 PolarHBondContact O-N 3.02Å; C393-L397 HydrophobicContact CB-CD1 4.33Å; C393-L397 WeakPolarHBondContact O-CA 3.29Å; C393-L397 VanDerWaalsContact O-CB 3.25Å; C393-L397 WeakPolarHBondContact O-CB 3.04Å; C393-L397 PolarHBondContact O-N 3.07Å |
| 394 | L | 85.7 | Confident | 78.2 | Confident | 58 Ų | 58 | 82.6 Ų | 82.6 | 30% | 0.304 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 174.2 | -66.2 | 175 | 0 | 0 | 0 | 111.8 | C390 K398 A401 A403 | C390-L394 WeakPolarHBondContact O-CG 3.39Å; C390-L394 PolarHBondContact O-N 3.35Å; L394-K398 VanDerWaalsContact O-CA 3.3Å; L394-K398 WeakPolarHBondContact O-CA 3.35Å; L394-K398 PolarHBondContact O-N 2.85Å; L394-A401 HydrophobicContact CD2-CB 3.83Å; L394-A403 WeakPolarHBondContact CD2-O 3.19Å |
| 395 | R | 84.4 | Confident | 76.5 | Confident | 181 Ų | 181 | 84.9 Ų | 84.9 | 68% | 0.683 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67.4 | -38.7 | 178.2 | -169.1 | -178.2 | -63.4 | 147.5 | 0.9 | 112.6 | H391 L392 C393 | H391-R395 WeakPolarHBondContact O-CB 3.11Å; H391-R395 PolarHBondContact O-N 3.04Å; L392-R395 PolarHBondContact O-N 3.37Å; C393-R395 VanDerWaalsContact C-N 3.33Å; C393-R395 PolarHBondContact O-N 2.7Å |
| 396 | Q | 81.4 | Confident | 74.4 | Confident | 158 Ų | 158 | 79.2 Ų | 79.2 | 74% | 0.738 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -83 | -40.3 | -174.1 | -169.1 | 64 | 31 | 0 | 0 | 113.1 | L392 C393 | L392-Q396 WeakPolarHBondContact O-CB 3.36Å; L392-Q396 PolarHBondContact O-N 3.47Å; C393-Q396 PolarHBondContact O-N 3.02Å |
| 397 | L | 75.3 | Confident | 72.1 | Confident | 55 Ų | 55 | 83.2 Ų | 83.2 | 29% | 0.288 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -100.4 | -19 | -172.4 | -59.2 | 175.5 | 0 | 0 | 0 | 112.8 | D366 C393 E399 K400 A401 | D366-L397 HydrophobicContact CB-CD1 4.12Å; C393-L397 HydrophobicContact CB-CD1 4.33Å; C393-L397 WeakPolarHBondContact O-CA 3.29Å; C393-L397 VanDerWaalsContact O-CB 3.25Å; C393-L397 WeakPolarHBondContact O-CB 3.04Å; C393-L397 PolarHBondContact O-N 3.07Å; L397-E399 PolarHBondContact O-N 2.57Å; L397-E399 VanDerWaalsContact O-N 3.11Å; L397-K400 HydrophobicContact CB-CB 4.22Å; L397-K400 WeakPolarHBondContact O-CB 3.13Å; L397-K400 PolarHBondContact O-N 3.27Å; L397-A401 HydrophobicContact CB-CB 4.2Å |
| 398 | K | 74.6 | Confident | 69.5 | Low | 155 Ų | 155 | 89.3 Ų | 89.3 | 67% | 0.674 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | 46.5 | -114.2 | -177.5 | -60.9 | -176.4 | 179.9 | -177.4 | 0 | 111.2 | L394 K400 A401 | L394-K398 VanDerWaalsContact O-CA 3.3Å; L394-K398 WeakPolarHBondContact O-CA 3.35Å; L394-K398 PolarHBondContact O-N 2.85Å; K398-K400 PolarHBondContact O-N 2.74Å; K398-A401 WeakPolarHBondContact O-CB 3.46Å; K398-A401 PolarHBondContact O-N 3.19Å |
| 399 | E | 63.4 | Low | 68.5 | Low | 172 Ų | 172 | 93 Ų | 93 | 80% | 0.804 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -66.7 | -13.4 | -179.8 | -61.6 | -176.6 | 174.3 | 0 | 0 | 114.4 | L397 | L397-E399 PolarHBondContact O-N 2.57Å; L397-E399 VanDerWaalsContact O-N 3.11Å |
| 400 | K | 65.4 | Low | 67.3 | Low | 170 Ų | 170 | 97.8 Ų | 97.8 | 74% | 0.739 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -91.2 | -1.3 | 176.8 | -60.7 | -176.6 | 179.9 | -178.8 | 0 | 113.5 | L397 K398 | L397-K400 HydrophobicContact CB-CB 4.22Å; L397-K400 WeakPolarHBondContact O-CB 3.13Å; L397-K400 PolarHBondContact O-N 3.27Å; K398-K400 PolarHBondContact O-N 2.74Å |
| 401 | A | 65.3 | Low | 66 | Low | 10 Ų | 10 | 103.2 Ų | 103.2 | 8% | 0.083 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -73.3 | 143.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L394 L397 K398 A403 | L394-A401 HydrophobicContact CD2-CB 3.83Å; L397-A401 HydrophobicContact CB-CB 4.2Å; K398-A401 WeakPolarHBondContact O-CB 3.46Å; K398-A401 PolarHBondContact O-N 3.19Å; A401-A403 PolarHBondContact O-N 2.79Å; A401-A403 VanDerWaalsContact O-N 3.14Å |
| 402 | S | 60.9 | Low | 64.8 | Low | 53 Ų | 53 | 104.9 Ų | 104.9 | 37% | 0.371 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -62.5 | -19 | -177.1 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | D366 S389 | D366-S402 PolarHBondContact OD2-N 3.14Å; D366-S402 PolarHBondContact OD2-OG 3.44Å; S389-S402 PolarHBondContact OG-N 2.96Å; S389-S402 PolarHBondContact OG-OG 3.39Å |
| 403 | A | 62.2 | Low | 63.2 | Low | 12 Ų | 12 | 107.5 Ų | 107.5 | 10% | 0.099 | 53% | 0.529 | C | S | . | . | trans | -126.8 | 103.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S387 S389 L394 A401 I405 | S387-A403 VanDerWaalsContact O-CB 3.31Å; S387-A403 WeakPolarHBondContact O-CB 3.25Å; S389-A403 PolarHBondContact OG-N 3.32Å; S389-A403 VanDerWaalsContact OG-N 3.1Å; L394-A403 WeakPolarHBondContact CD2-O 3.19Å; A401-A403 PolarHBondContact O-N 2.79Å; A401-A403 VanDerWaalsContact O-N 3.14Å; A403-I405 PolarHBondContact O-N 3.48Å; A403-I405 VanDerWaalsContact O-N 3.16Å | ||
| 404 | Y | 50.4 | Low | 61.5 | Low | 162 Ų | 162 | 114 Ų | 114 | 64% | 0.635 | 56% | 0.56 | S | S | * | * | trans | -81.3 | 87.5 | 163 | -172.4 | -110 | 0 | 0 | 0 | 108.2 | T406 | Y404-T406 HydrophobicContact CD1-CG2 3.68Å; Y404-T406 HydrophobicContact CE1-CG2 3.19Å; Y404-T406 PolarHBondContact O-N 3.43Å; Y404-T406 VanDerWaalsContact O-N 3.12Å | ||
| 405 | I | 48.6 | Very low | 59.8 | Low | 91 Ų | 91 | 118 Ų | 118 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | trans | -73.2 | 101.9 | 163.9 | -60.5 | 174.4 | 0 | 0 | 0 | 105.6 | A403 L407 | A403-I405 PolarHBondContact O-N 3.48Å; A403-I405 VanDerWaalsContact O-N 3.16Å; I405-L407 VanDerWaalsContact C-N 3.3Å; I405-L407 HydrophobicContact CG2-CD2 4.46Å; I405-L407 PolarHBondContact O-N 3.4Å | ||
| 406 | T | 37.3 | Very low | 57.9 | Low | 82 Ų | 82 | 113.2 Ų | 113.2 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | trans | -57.9 | 98.5 | 160.1 | 36.5 | 0 | 0 | 0 | 0 | 107.6 | Y404 T408 | Y404-T406 HydrophobicContact CD1-CG2 3.68Å; Y404-T406 HydrophobicContact CE1-CG2 3.19Å; Y404-T406 PolarHBondContact O-N 3.43Å; Y404-T406 VanDerWaalsContact O-N 3.12Å; T406-T408 PolarHBondContact O-N 2.99Å | ||
| 407 | L | 36.5 | Very low | 56 | Low | 155 Ų | 155 | 109.4 Ų | 109.4 | 81% | 0.812 | 56% | 0.556 | S | S | * | * | trans | -69.7 | 89.2 | 157.1 | -68.3 | 169.9 | 0 | 0 | 0 | 106.2 | I405 | I405-L407 VanDerWaalsContact C-N 3.3Å; I405-L407 HydrophobicContact CG2-CD2 4.46Å; I405-L407 PolarHBondContact O-N 3.4Å | ||
| 408 | T | 31.8 | Very low | 54.2 | Low | 196 Ų | 196 | 114.4 Ų | 114.4 | 100% | 1.202 | 58% | 0.581 | S | S | * | * | trans | -87.8 | 0 | 161.1 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | T406 | T406-T408 PolarHBondContact O-N 2.99Š|
Retrieved 408 of 408 residues in 213.2 ms
(Link to these results)