| 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 | 45.5 | Very low | 64.8 | Low | 228 Ų | 228 | 97 Ų | 97 | 100% | 1.123 | 53% | 0.53 | S | S | * | . | 0 | 122.1 | 0 | -74.3 | 166.3 | 164.8 | 0 | 0 | 105.3 | S3 | M1-S3 PolarHBondContact O-N 3.41Š| |||
| 2 | S | 50.8 | Low | 66.5 | Low | 115 Ų | 115 | 91.8 Ų | 91.8 | 80% | 0.804 | 50% | 0.501 | S | S | * | . | trans | -70.9 | 116.2 | -177.5 | -55.3 | 0 | 0 | 0 | 0 | 108.4 | E4 | S2-E4 PolarHBondContact O-N 3.32Š| ||
| 3 | S | 57.6 | Low | 68.1 | Low | 73 Ų | 73 | 95.8 Ų | 95.8 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | trans | -66.7 | 89.6 | 169 | -51.9 | 0 | 0 | 0 | 0 | 107.3 | M1 A5 | M1-S3 PolarHBondContact O-N 3.41Å; S3-A5 PolarHBondContact O-N 3.19Å | ||
| 4 | E | 57.6 | Low | 69.4 | Low | 134 Ų | 134 | 91.9 Ų | 91.9 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | trans | -71.8 | 107.9 | 175.5 | -154.5 | 161.5 | 94 | 0 | 0 | 107.2 | S2 K31 | S2-E4 PolarHBondContact O-N 3.32Å; E4-K31 HydrophobicContact CB-CD 4.38Å; E4-K31 PolarHBondContact O-NZ 3.03Å | ||
| 5 | A | 61.9 | Low | 70.6 | Confident | 50 Ų | 50 | 85.8 Ų | 85.8 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 134.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | S3 E62 G63 | S3-A5 PolarHBondContact O-N 3.19Å; A5-E62 HydrophobicContact CB-CG 4.04Å; A5-G63 WeakPolarHBondContact CA-O 3.41Å |
| 6 | F | 65.3 | Low | 71.7 | Confident | 21 Ų | 21 | 83.2 Ų | 83.2 | 9% | 0.092 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.3 | 173.2 | 61.5 | -88 | 0 | 0 | 0 | 108.7 | L8 F28 D30 K31 E62 G63 T65 | F6-L8 HydrophobicContact CD2-CD1 3.79Å; F6-L8 HydrophobicContact CD2-CG 3.97Å; F6-L8 HydrophobicContact CE2-CD1 3.57Å; F6-L8 HydrophobicContact CE2-CG 4.26Å; F6-F28 HydrophobicContact CE2-CD2 4.47Å; F6-F28 AromaticContact CE2-CE2 3.75Å; F6-F28 HydrophobicContact CE2-CE2 3.75Å; F6-F28 HydrophobicContact CZ-CE2 4.14Å; F6-D30 HydrophobicContact CE1-CB 4.12Å; F6-D30 HydrophobicContact CE2-CB 4.32Å; F6-D30 HydrophobicContact CZ-CB 3.83Å; F6-K31 HydrophobicContact CB-CB 4.43Å; F6-K31 HydrophobicContact CD1-CD 4.27Å; F6-K31 HydrophobicContact CD1-CG 4.32Å; F6-E62 WeakPolarHBondContact O-CA 3.31Å; F6-G63 WeakPolarHBondContact CD1-O 2.9Å; F6-G63 VanDerWaalsContact CE1-O 3.28Å; F6-G63 WeakPolarHBondContact CE1-O 3.27Å; F6-G63 PolarHBondContact N-O 3.06Å; F6-G63 PolarHBondContact O-N 2.81Å; F6-T65 HydrophobicContact CE1-CG2 3.72Å |
| 7 | I | 66.5 | Low | 72.8 | Confident | 99 Ų | 99 | 80.8 Ų | 80.8 | 51% | 0.508 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.2 | 177.1 | -58.7 | 172.1 | 0 | 0 | 0 | 107.3 | E60 L61 E62 | I7-E60 HydrophobicContact CG2-CB 3.84Å; I7-E60 HydrophobicContact CG2-CG 4.14Å; I7-L61 WeakPolarHBondContact CA-O 3.15Å; I7-E62 HydrophobicContact CG1-CG 4.43Å |
| 8 | L | 68.8 | Low | 73.7 | Confident | 46 Ų | 46 | 76.3 Ų | 76.3 | 24% | 0.241 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.6 | 171.8 | -70.9 | 160.7 | 0 | 0 | 0 | 109.1 | F6 F28 L61 | F6-L8 HydrophobicContact CD2-CD1 3.79Å; F6-L8 HydrophobicContact CD2-CG 3.97Å; F6-L8 HydrophobicContact CE2-CD1 3.57Å; F6-L8 HydrophobicContact CE2-CG 4.26Å; L8-F28 HydrophobicContact CD1-CB 4.02Å; L8-F28 HydrophobicContact CD1-CD1 4.33Å; L8-F28 HydrophobicContact CD1-CD2 2.96Å; L8-F28 HydrophobicContact CD1-CE2 3.31Å; L8-F28 HydrophobicContact CD1-CG 3.52Å; L8-F28 HydrophobicContact CD1-CZ 4.15Å; L8-F28 HydrophobicContact CG-CD2 4.44Å; L8-L61 HydrophobicContact CB-CB 4.46Å; L8-L61 PolarHBondContact N-O 3.3Å; L8-L61 PolarHBondContact O-N 3.26Å |
| 9 | E | 75 | Confident | 74.4 | Confident | 163 Ų | 163 | 73.9 Ų | 73.9 | 76% | 0.762 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 124.2 | 168.3 | -169.2 | 172 | 108.3 | 0 | 0 | 108 | ||
| 10 | V | 79 | Confident | 75.2 | Confident | 16 Ų | 16 | 74.2 Ų | 74.2 | 10% | 0.097 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.4 | -178.5 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | L12 L15 L26 A59 L61 | V10-L12 PolarHBondContact O-N 3.33Å; V10-L15 HydrophobicContact CB-CD1 4.28Å; V10-L15 HydrophobicContact CB-CG 4.43Å; V10-L15 HydrophobicContact CG1-CD1 4.16Å; V10-L15 HydrophobicContact CG1-CD2 4.05Å; V10-L15 HydrophobicContact CG1-CG 3.78Å; V10-L26 HydrophobicContact CG1-CD1 3.62Å; V10-L26 HydrophobicContact CG1-CD2 3.74Å; V10-L26 HydrophobicContact CG1-CG 4.35Å; V10-L26 HydrophobicContact CG2-CD2 3.98Å; V10-A59 PolarHBondContact N-O 3.02Å; V10-A59 VanDerWaalsContact N-O 3.15Å; V10-L61 HydrophobicContact CG2-CB 4.13Å |
| 11 | D | 84.9 | Confident | 75.7 | Confident | 122 Ų | 122 | 73.7 Ų | 73.7 | 65% | 0.652 | 41% | 0.414 | S | S | * | . | trans | -59.3 | 127.9 | 173.8 | -76.4 | -70.3 | 0 | 0 | 0 | 111 | E13 V14 L15 | D11-E13 PolarHBondContact O-N 3.46Å; D11-V14 HydrophobicContact CB-CB 4.28Å; D11-V14 HydrophobicContact CB-CG2 3.78Å; D11-V14 WeakPolarHBondContact O-CB 3.44Å; D11-V14 PolarHBondContact O-N 3.39Å; D11-V14 VanDerWaalsContact O-N 3.1Å; D11-L15 PolarHBondContact O-N 2.86Å | ||
| 12 | L | 85.5 | Confident | 77.8 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 18% | 0.183 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.7 | -37.7 | 179.1 | -67.3 | 174.2 | 0 | 0 | 0 | 111.9 | V10 V14 L15 I16 L53 A56 A59 | V10-L12 PolarHBondContact O-N 3.33Å; L12-V14 VanDerWaalsContact C-N 3.29Å; L12-V14 PolarHBondContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 3.34Å; L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 2.71Å; L12-L53 HydrophobicContact CD2-CB 4.39Å; L12-L53 HydrophobicContact CD2-CD2 3.62Å; L12-A56 HydrophobicContact CD1-CB 4.17Å; L12-A56 WeakPolarHBondContact CD1-O 3.37Å; L12-A56 HydrophobicContact CD2-CB 3.84Å; L12-A59 HydrophobicContact CD2-CB 3.62Å |
| 13 | E | 86.6 | Confident | 79.5 | Confident | 144 Ų | 144 | 65.9 Ų | 65.9 | 67% | 0.673 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.9 | -39 | 177.9 | -170.1 | 173.7 | 108.8 | 0 | 0 | 111.6 | D11 I16 N17 | D11-E13 PolarHBondContact O-N 3.46Å; E13-I16 PolarHBondContact O-N 3.04Å; E13-N17 WeakPolarHBondContact O-CB 3.29Å; E13-N17 PolarHBondContact O-N 3.22Å; E13-N17 PolarHBondContact O-ND2 3.45Å; E13-N17 PolarHBondContact O-OD1 3.39Å |
| 14 | V | 86.8 | Confident | 80.7 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 24% | 0.242 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | D11 L12 I16 N17 V18 L26 | D11-V14 HydrophobicContact CB-CB 4.28Å; D11-V14 HydrophobicContact CB-CG2 3.78Å; D11-V14 WeakPolarHBondContact O-CB 3.44Å; D11-V14 PolarHBondContact O-N 3.39Å; D11-V14 VanDerWaalsContact O-N 3.1Å; L12-V14 VanDerWaalsContact C-N 3.29Å; L12-V14 PolarHBondContact O-N 3.12Å; V14-I16 VanDerWaalsContact C-N 3.31Å; V14-I16 PolarHBondContact O-N 2.79Å; V14-N17 WeakPolarHBondContact O-CB 3.44Å; V14-N17 PolarHBondContact O-N 2.8Å; V14-V18 WeakPolarHBondContact O-CG2 3.34Å; V14-V18 PolarHBondContact O-N 3.29Å; V14-L26 HydrophobicContact CG1-CD1 3.44Å; V14-L26 VanDerWaalsContact CG1-CD1 3.44Å |
| 15 | L | 86.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 175.7 | -69.2 | 170.8 | 0 | 0 | 0 | 112.1 | V10 D11 L12 V18 L19 L26 L43 L53 A59 | V10-L15 HydrophobicContact CB-CD1 4.28Å; V10-L15 HydrophobicContact CB-CG 4.43Å; V10-L15 HydrophobicContact CG1-CD1 4.16Å; V10-L15 HydrophobicContact CG1-CD2 4.05Å; V10-L15 HydrophobicContact CG1-CG 3.78Å; D11-L15 PolarHBondContact O-N 2.86Å; L12-L15 PolarHBondContact O-N 3.34Å; L15-V18 PolarHBondContact O-N 3.37Å; L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 3.33Å; L15-L26 HydrophobicContact CD2-CD2 4.07Å; L15-L43 HydrophobicContact CD2-CD1 3.86Å; L15-L43 HydrophobicContact CD2-CD2 3.83Å; L15-L53 HydrophobicContact CB-CD1 3.5Å; L15-L53 HydrophobicContact CB-CD2 4.17Å; L15-L53 HydrophobicContact CD1-CD2 3.78Å; L15-A59 HydrophobicContact CD1-CB 3.29Å |
| 16 | I | 88.2 | Confident | 83.2 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 23% | 0.226 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 174.3 | -67.8 | 166.4 | 0 | 0 | 0 | 110.2 | L12 E13 V14 V18 L19 T20 V50 L53 | L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 2.71Å; E13-I16 PolarHBondContact O-N 3.04Å; V14-I16 VanDerWaalsContact C-N 3.31Å; V14-I16 PolarHBondContact O-N 2.79Å; I16-V18 VanDerWaalsContact C-N 3.3Å; I16-V18 PolarHBondContact O-N 2.98Å; I16-L19 PolarHBondContact O-N 2.92Å; I16-T20 HydrophobicContact CG2-CG2 4.02Å; I16-T20 WeakPolarHBondContact O-CB 3.38Å; I16-T20 VanDerWaalsContact O-CG2 3.26Å; I16-T20 WeakPolarHBondContact O-CG2 3.41Å; I16-T20 PolarHBondContact O-N 3.13Å; I16-T20 PolarHBondContact O-OG1 3.39Å; I16-V50 HydrophobicContact CG2-CG1 4.4Å; I16-L53 HydrophobicContact CD1-CB 4.31Å; I16-L53 HydrophobicContact CG1-CB 3.99Å; I16-L53 HydrophobicContact CG1-CD1 3.81Å |
| 17 | N | 90 | Very high | 84 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 23% | 0.225 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 177 | -71.1 | -19.9 | 0 | 0 | 0 | 111.8 | E13 V14 T20 G21 V22 E23 | E13-N17 WeakPolarHBondContact O-CB 3.29Å; E13-N17 PolarHBondContact O-N 3.22Å; E13-N17 PolarHBondContact O-ND2 3.45Å; E13-N17 PolarHBondContact O-OD1 3.39Å; V14-N17 WeakPolarHBondContact O-CB 3.44Å; V14-N17 PolarHBondContact O-N 2.8Å; N17-T20 WeakPolarHBondContact CA-OG1 3.44Å; N17-T20 PolarHBondContact O-OG1 3.41Å; N17-G21 PolarHBondContact O-N 3.46Å; N17-G21 VanDerWaalsContact O-N 3.16Å; N17-V22 HydrophobicContact CB-CB 3.99Å; N17-V22 HydrophobicContact CB-CG1 4.27Å; N17-V22 WeakPolarHBondContact O-CB 3.39Å; N17-V22 PolarHBondContact O-N 3.32Å; N17-E23 HydrophobicContact CB-CB 4.32Å; N17-E23 HydrophobicContact CB-CG 4.05Å; N17-E23 PolarHBondContact O-N 3.07Å |
| 18 | V | 89.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 175.3 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | V14 L15 I16 T20 G21 E23 L26 A40 L43 | V14-V18 WeakPolarHBondContact O-CG2 3.34Å; V14-V18 PolarHBondContact O-N 3.29Å; L15-V18 PolarHBondContact O-N 3.37Å; I16-V18 VanDerWaalsContact C-N 3.3Å; I16-V18 PolarHBondContact O-N 2.98Å; V18-T20 VanDerWaalsContact C-N 3.35Å; V18-T20 PolarHBondContact O-N 3.16Å; V18-G21 PolarHBondContact O-N 3.47Å; V18-E23 WeakPolarHBondContact CA-O 3.27Å; V18-E23 HydrophobicContact CG2-CB 3.85Å; V18-L26 HydrophobicContact CG2-CB 4.23Å; V18-A40 HydrophobicContact CG1-CB 3.98Å; V18-A40 WeakPolarHBondContact O-CB 3.26Å; V18-L43 HydrophobicContact CB-CD1 4.13Å; V18-L43 HydrophobicContact CG1-CD1 3.75Å |
| 19 | L | 88.4 | Confident | 84.9 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.9 | -32.7 | 179.5 | -73.9 | 177.5 | 0 | 0 | 0 | 113.8 | L15 I16 G21 A40 L43 I44 V48 V50 L53 | L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 3.33Å; I16-L19 PolarHBondContact O-N 2.92Å; L19-G21 VanDerWaalsContact C-N 3.27Å; L19-A40 HydrophobicContact CD2-CB 4.43Å; L19-L43 HydrophobicContact CD2-CB 3.82Å; L19-L43 HydrophobicContact CD2-CD1 4.12Å; L19-L43 HydrophobicContact CG-CD1 4.09Å; L19-I44 HydrophobicContact CD2-CD1 4.16Å; L19-I44 HydrophobicContact CD2-CG1 3.67Å; L19-V48 HydrophobicContact CD1-CG1 4.14Å; L19-V50 HydrophobicContact CB-CG2 3.8Å; L19-V50 HydrophobicContact CD1-CG2 4.01Å; L19-L53 HydrophobicContact CD1-CD1 3.62Å |
| 20 | T | 88.6 | Confident | 84.8 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -82.2 | -7 | 177.2 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | I16 N17 V18 V22 V50 | I16-T20 HydrophobicContact CG2-CG2 4.02Å; I16-T20 WeakPolarHBondContact O-CB 3.38Å; I16-T20 VanDerWaalsContact O-CG2 3.26Å; I16-T20 WeakPolarHBondContact O-CG2 3.41Å; I16-T20 PolarHBondContact O-N 3.13Å; I16-T20 PolarHBondContact O-OG1 3.39Å; N17-T20 WeakPolarHBondContact CA-OG1 3.44Å; N17-T20 PolarHBondContact O-OG1 3.41Å; V18-T20 VanDerWaalsContact C-N 3.35Å; V18-T20 PolarHBondContact O-N 3.16Å; T20-V22 VanDerWaalsContact C-N 3.3Å; T20-V22 WeakPolarHBondContact OG1-CG2 3.43Å; T20-V50 HydrophobicContact CG2-CG2 4.32Å |
| 21 | G | 87.2 | Confident | 84.3 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 13.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N17 V18 L19 E23 | N17-G21 PolarHBondContact O-N 3.46Å; N17-G21 VanDerWaalsContact O-N 3.16Å; V18-G21 PolarHBondContact O-N 3.47Å; L19-G21 VanDerWaalsContact C-N 3.27Å; G21-E23 VanDerWaalsContact C-N 3.35Å |
| 22 | V | 89.1 | Confident | 83.8 | Confident | 105 Ų | 105 | 57.6 Ų | 57.6 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -67.1 | -41.7 | 168.5 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | N17 T20 | N17-V22 HydrophobicContact CB-CB 3.99Å; N17-V22 HydrophobicContact CB-CG1 4.27Å; N17-V22 WeakPolarHBondContact O-CB 3.39Å; N17-V22 PolarHBondContact O-N 3.32Å; T20-V22 VanDerWaalsContact C-N 3.3Å; T20-V22 WeakPolarHBondContact OG1-CG2 3.43Å |
| 23 | E | 86.8 | Confident | 83.2 | Confident | 74 Ų | 74 | 58.2 Ų | 58.2 | 35% | 0.346 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -111 | 141.1 | 172.8 | -71.2 | -167 | 106.3 | 0 | 0 | 111.3 | N17 V18 G21 | N17-E23 HydrophobicContact CB-CB 4.32Å; N17-E23 HydrophobicContact CB-CG 4.05Å; N17-E23 PolarHBondContact O-N 3.07Å; V18-E23 WeakPolarHBondContact CA-O 3.27Å; V18-E23 HydrophobicContact CG2-CB 3.85Å; G21-E23 VanDerWaalsContact C-N 3.35Å |
| 24 | P | 82.2 | Confident | 82.6 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 71% | 0.714 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -73.2 | -33.6 | -176.2 | 28.5 | -34.2 | 0 | 0 | 0 | 112.8 | ||
| 25 | C | 86.6 | Confident | 82.1 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 10% | 0.101 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 153.7 | -179.9 | 56.6 | 0 | 0 | 0 | 0 | 110.5 | Q37 I38 T39 | C25-Q37 HydrophobicContact CB-CB 4.47Å; C25-I38 CarbonylContact C-O 3.56Å; C25-I38 WeakPolarHBondContact CA-O 3.48Å; C25-I38 WeakPolarHBondContact CB-O 3.37Å; C25-T39 HydrophobicContact CB-CG2 4.35Å |
| 26 | L | 84.5 | Confident | 81.7 | Confident | 13 Ų | 13 | 63.7 Ų | 63.7 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 131.7 | 166.8 | 178.5 | 72.2 | 0 | 0 | 0 | 108.6 | V10 V14 L15 V18 F28 Q37 I38 L61 | V10-L26 HydrophobicContact CG1-CD1 3.62Å; V10-L26 HydrophobicContact CG1-CD2 3.74Å; V10-L26 HydrophobicContact CG1-CG 4.35Å; V10-L26 HydrophobicContact CG2-CD2 3.98Å; V14-L26 HydrophobicContact CG1-CD1 3.44Å; V14-L26 VanDerWaalsContact CG1-CD1 3.44Å; L15-L26 HydrophobicContact CD2-CD2 4.07Å; V18-L26 HydrophobicContact CG2-CB 4.23Å; L26-F28 HydrophobicContact CD2-CD1 4.1Å; L26-F28 HydrophobicContact CD2-CE1 4.35Å; L26-F28 HydrophobicContact CG-CD1 4.22Å; L26-Q37 CarbonylContact O-C 3.51Å; L26-Q37 VanDerWaalsContact O-CA 3.25Å; L26-Q37 WeakPolarHBondContact O-CA 3.39Å; L26-I38 HydrophobicContact CB-CB 4.45Å; L26-I38 PolarHBondContact N-O 3.27Å; L26-I38 PolarHBondContact O-N 3.29Å; L26-L61 HydrophobicContact CD2-CD2 4.39Å |
| 27 | Q | 82.8 | Confident | 81.5 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132 | 176.3 | -50.6 | -171.4 | 47.8 | 0 | 0 | 110.6 | V36 Q37 | Q27-V36 WeakPolarHBondContact CA-O 3.45Å; Q27-Q37 HydrophobicContact CG-CG 3.9Å |
| 28 | F | 79.3 | Confident | 81.1 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 11% | 0.105 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 167.6 | 177.3 | 58.5 | -94.6 | 0 | 0 | 0 | 111.1 | F6 L8 L26 F35 V36 I38 L61 Y72 | F6-F28 HydrophobicContact CE2-CD2 4.47Å; F6-F28 AromaticContact CE2-CE2 3.75Å; F6-F28 HydrophobicContact CE2-CE2 3.75Å; F6-F28 HydrophobicContact CZ-CE2 4.14Å; L8-F28 HydrophobicContact CD1-CB 4.02Å; L8-F28 HydrophobicContact CD1-CD1 4.33Å; L8-F28 HydrophobicContact CD1-CD2 2.96Å; L8-F28 HydrophobicContact CD1-CE2 3.31Å; L8-F28 HydrophobicContact CD1-CG 3.52Å; L8-F28 HydrophobicContact CD1-CZ 4.15Å; L8-F28 HydrophobicContact CG-CD2 4.44Å; L26-F28 HydrophobicContact CD2-CD1 4.1Å; L26-F28 HydrophobicContact CD2-CE1 4.35Å; L26-F28 HydrophobicContact CG-CD1 4.22Å; F28-F35 WeakPolarHBondContact O-CA 3.3Å; F28-V36 HydrophobicContact CD2-CB 3.89Å; F28-V36 HydrophobicContact CD2-CG1 4.39Å; F28-V36 HydrophobicContact CE1-CB 4.18Å; F28-V36 HydrophobicContact CE1-CG1 3.74Å; F28-V36 HydrophobicContact CE2-CB 3.44Å; F28-V36 VanDerWaalsContact CE2-CB 3.44Å; F28-V36 HydrophobicContact CE2-CG1 3.56Å; F28-V36 HydrophobicContact CE2-CG2 3.99Å; F28-V36 HydrophobicContact CZ-CB 3.6Å; F28-V36 HydrophobicContact CZ-CG1 3.17Å; F28-V36 HydrophobicContact CZ-CG2 4.45Å; F28-V36 PolarHBondContact N-O 3.36Å; F28-V36 PolarHBondContact O-N 3.09Å; F28-I38 HydrophobicContact CE1-CD1 3.62Å; F28-I38 HydrophobicContact CE1-CG1 3.8Å; F28-I38 HydrophobicContact CZ-CD1 3.92Å; F28-I38 HydrophobicContact CZ-CG1 4.26Å; F28-L61 HydrophobicContact CD1-CD2 3.9Å; F28-L61 HydrophobicContact CE1-CD2 3.14Å; F28-L61 HydrophobicContact CE2-CD2 4.21Å; F28-L61 HydrophobicContact CZ-CD2 3.29Å; F28-L61 HydrophobicContact CZ-CG 4.42Å; F28-Y72 HydrophobicContact CZ-CD1 4.49Å; F28-Y72 HydrophobicContact CZ-CE1 4.01Å |
| 29 | L | 75.3 | Confident | 80.9 | Confident | 87 Ų | 87 | 67.2 Ų | 67.2 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.9 | 173.5 | -66.1 | 173.2 | 0 | 0 | 0 | 109.4 | G33 E34 F35 | L29-G33 WeakPolarHBondContact CD2-O 3.11Å; L29-E34 WeakPolarHBondContact CA-O 3.37Å; L29-F35 HydrophobicContact CD2-CD1 3.81Å; L29-F35 HydrophobicContact CD2-CD2 3.93Å; L29-F35 HydrophobicContact CD2-CE1 3.78Å; L29-F35 HydrophobicContact CD2-CE2 3.9Å; L29-F35 HydrophobicContact CD2-CG 3.89Å; L29-F35 HydrophobicContact CD2-CZ 3.83Å; L29-F35 HydrophobicContact CG-CE1 4.39Å |
| 30 | D | 73.5 | Confident | 80.9 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 6% | 0.064 | 38% | 0.378 | C | S | . | . | trans | -71.1 | -180 | 170.3 | 88.5 | -26.8 | 0 | 0 | 0 | 111.1 | F6 N32 G33 E34 V36 T65 | F6-D30 HydrophobicContact CE1-CB 4.12Å; F6-D30 HydrophobicContact CE2-CB 4.32Å; F6-D30 HydrophobicContact CZ-CB 3.83Å; D30-N32 VanDerWaalsContact CG-N 3.34Å; D30-N32 PolarHBondContact O-N 3.31Å; D30-N32 VanDerWaalsContact O-N 3.12Å; D30-N32 VanDerWaalsContact OD1-CA 3.27Å; D30-N32 WeakPolarHBondContact OD1-CA 3.48Å; D30-N32 VanDerWaalsContact OD1-CB 3.31Å; D30-N32 WeakPolarHBondContact OD1-CB 3.49Å; D30-N32 PolarHBondContact OD1-N 3.22Å; D30-N32 PolarHBondContact OD2-ND2 3.4Å; D30-G33 PolarHBondContact O-N 3.07Å; D30-G33 PolarHBondContact OD1-N 3.18Å; D30-E34 PolarHBondContact N-O 2.89Å; D30-E34 WeakPolarHBondContact OD1-CB 3.34Å; D30-E34 PolarHBondContact OD1-N 3.18Å; D30-V36 HydrophobicContact CB-CG2 3.92Å; D30-T65 WeakPolarHBondContact OD2-CG2 3.18Å | ||
| 31 | K | 67.8 | Low | 80.8 | Confident | 80 Ų | 80 | 65.9 Ų | 65.9 | 35% | 0.348 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.9 | 176.5 | 68.3 | -176.5 | 177.9 | -170.4 | 0 | 114.5 | E4 F6 T65 | E4-K31 HydrophobicContact CB-CD 4.38Å; E4-K31 PolarHBondContact O-NZ 3.03Å; F6-K31 HydrophobicContact CB-CB 4.43Å; F6-K31 HydrophobicContact CD1-CD 4.27Å; F6-K31 HydrophobicContact CD1-CG 4.32Å; K31-T65 WeakPolarHBondContact CE-OG1 3.46Å; K31-T65 PolarHBondContact NZ-OG1 3.35Å |
| 32 | N | 73.5 | Confident | 80.6 | Confident | 100 Ų | 100 | 65.9 Ų | 65.9 | 54% | 0.535 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -5.3 | 178.4 | -49.6 | -41.9 | 0 | 0 | 0 | 111.8 | D30 E34 | D30-N32 VanDerWaalsContact CG-N 3.34Å; D30-N32 PolarHBondContact O-N 3.31Å; D30-N32 VanDerWaalsContact O-N 3.12Å; D30-N32 VanDerWaalsContact OD1-CA 3.27Å; D30-N32 WeakPolarHBondContact OD1-CA 3.48Å; D30-N32 VanDerWaalsContact OD1-CB 3.31Å; D30-N32 WeakPolarHBondContact OD1-CB 3.49Å; D30-N32 PolarHBondContact OD1-N 3.22Å; D30-N32 PolarHBondContact OD2-ND2 3.4Å; N32-E34 VanDerWaalsContact C-N 3.34Å; N32-E34 HydrophobicContact CB-CG 4.2Å |
| 33 | G | 74.4 | Confident | 80.4 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 77.4 | 20.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L29 D30 | L29-G33 WeakPolarHBondContact CD2-O 3.11Å; D30-G33 PolarHBondContact O-N 3.07Å; D30-G33 PolarHBondContact OD1-N 3.18Å |
| 34 | E | 73.2 | Confident | 80.2 | Confident | 127 Ų | 127 | 62.2 Ų | 62.2 | 59% | 0.593 | 34% | 0.338 | S | S | * | . | trans | -87.2 | 138.8 | 174.2 | -62.9 | -162.6 | 111.4 | 0 | 0 | 110.6 | L29 D30 N32 V36 | L29-E34 WeakPolarHBondContact CA-O 3.37Å; D30-E34 PolarHBondContact N-O 2.89Å; D30-E34 WeakPolarHBondContact OD1-CB 3.34Å; D30-E34 PolarHBondContact OD1-N 3.18Å; N32-E34 VanDerWaalsContact C-N 3.34Å; N32-E34 HydrophobicContact CB-CG 4.2Å; E34-V36 PolarHBondContact O-N 3.34Å | ||
| 35 | F | 76.7 | Confident | 80.2 | Confident | 156 Ų | 156 | 64.4 Ų | 64.4 | 68% | 0.684 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 117.8 | 175 | -77.2 | -82.1 | 0 | 0 | 0 | 110 | F28 L29 | F28-F35 WeakPolarHBondContact O-CA 3.3Å; L29-F35 HydrophobicContact CD2-CD1 3.81Å; L29-F35 HydrophobicContact CD2-CD2 3.93Å; L29-F35 HydrophobicContact CD2-CE1 3.78Å; L29-F35 HydrophobicContact CD2-CE2 3.9Å; L29-F35 HydrophobicContact CD2-CG 3.89Å; L29-F35 HydrophobicContact CD2-CZ 3.83Å; L29-F35 HydrophobicContact CG-CE1 4.39Å |
| 36 | V | 77.8 | Confident | 79.7 | Confident | 17 Ų | 17 | 67 Ų | 67 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.1 | 172.1 | 172.8 | 0 | 0 | 0 | 0 | 108.6 | Q27 F28 D30 E34 I38 Y72 | Q27-V36 WeakPolarHBondContact CA-O 3.45Å; F28-V36 HydrophobicContact CD2-CB 3.89Å; F28-V36 HydrophobicContact CD2-CG1 4.39Å; F28-V36 HydrophobicContact CE1-CB 4.18Å; F28-V36 HydrophobicContact CE1-CG1 3.74Å; F28-V36 HydrophobicContact CE2-CB 3.44Å; F28-V36 VanDerWaalsContact CE2-CB 3.44Å; F28-V36 HydrophobicContact CE2-CG1 3.56Å; F28-V36 HydrophobicContact CE2-CG2 3.99Å; F28-V36 HydrophobicContact CZ-CB 3.6Å; F28-V36 HydrophobicContact CZ-CG1 3.17Å; F28-V36 HydrophobicContact CZ-CG2 4.45Å; F28-V36 PolarHBondContact N-O 3.36Å; F28-V36 PolarHBondContact O-N 3.09Å; D30-V36 HydrophobicContact CB-CG2 3.92Å; E34-V36 PolarHBondContact O-N 3.34Å; V36-I38 HydrophobicContact CG1-CG1 4.39Å; V36-Y72 HydrophobicContact CG1-CE1 3.77Å; V36-Y72 WeakPolarHBondContact CG1-OH 3.45Å |
| 37 | Q | 84 | Confident | 79.4 | Confident | 103 Ų | 103 | 68.9 Ų | 68.9 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.5 | 174.9 | -54.6 | -167.5 | -23.4 | 0 | 0 | 110.3 | C25 L26 Q27 | C25-Q37 HydrophobicContact CB-CB 4.47Å; L26-Q37 CarbonylContact O-C 3.51Å; L26-Q37 VanDerWaalsContact O-CA 3.25Å; L26-Q37 WeakPolarHBondContact O-CA 3.39Å; Q27-Q37 HydrophobicContact CG-CG 3.9Å |
| 38 | I | 81.7 | Confident | 79.4 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 121 | 173.3 | -62.5 | -174.9 | 0 | 0 | 0 | 109.2 | C25 L26 F28 V36 Q42 L43 L61 Y72 | C25-I38 CarbonylContact C-O 3.56Å; C25-I38 WeakPolarHBondContact CA-O 3.48Å; C25-I38 WeakPolarHBondContact CB-O 3.37Å; L26-I38 HydrophobicContact CB-CB 4.45Å; L26-I38 PolarHBondContact N-O 3.27Å; L26-I38 PolarHBondContact O-N 3.29Å; F28-I38 HydrophobicContact CE1-CD1 3.62Å; F28-I38 HydrophobicContact CE1-CG1 3.8Å; F28-I38 HydrophobicContact CZ-CD1 3.92Å; F28-I38 HydrophobicContact CZ-CG1 4.26Å; V36-I38 HydrophobicContact CG1-CG1 4.39Å; I38-Q42 HydrophobicContact CG2-CB 3.92Å; I38-L43 HydrophobicContact CG2-CD2 3.7Å; I38-L43 HydrophobicContact CG2-CG 3.94Å; I38-L61 HydrophobicContact CD1-CD1 3.54Å; I38-L61 HydrophobicContact CD1-CD2 3.38Å; I38-L61 HydrophobicContact CD1-CG 4.09Å; I38-Y72 HydrophobicContact CD1-CD1 3.89Å; I38-Y72 HydrophobicContact CD1-CD2 4.26Å; I38-Y72 HydrophobicContact CD1-CE1 4.28Å; I38-Y72 HydrophobicContact CD1-CG 3.88Å |
| 39 | T | 86.5 | Confident | 79.7 | Confident | 56 Ų | 56 | 65.4 Ų | 65.4 | 34% | 0.344 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 159.9 | 179.7 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | C25 A41 Q42 L43 | C25-T39 HydrophobicContact CB-CG2 4.35Å; T39-A41 PolarHBondContact O-N 3.49Å; T39-Q42 PolarHBondContact O-N 3.1Å; T39-Q42 PolarHBondContact OG1-N 2.84Å; T39-Q42 PolarHBondContact OG1-OE1 3.19Å; T39-Q42 VanDerWaalsContact OG1-OE1 3.07Å; T39-L43 PolarHBondContact O-N 3.4Å; T39-L43 VanDerWaalsContact O-N 3.07Å |
| 40 | A | 86.9 | Confident | 80.1 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 20% | 0.198 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.5 | -36.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | V18 L19 Q42 L43 I44 | V18-A40 HydrophobicContact CG1-CB 3.98Å; V18-A40 WeakPolarHBondContact O-CB 3.26Å; L19-A40 HydrophobicContact CD2-CB 4.43Å; A40-Q42 PolarHBondContact O-N 3.24Å; A40-L43 WeakPolarHBondContact O-CB 3.26Å; A40-L43 PolarHBondContact O-N 3.39Å; A40-I44 WeakPolarHBondContact O-CD1 3.48Å; A40-I44 VanDerWaalsContact O-CG1 3.26Å; A40-I44 WeakPolarHBondContact O-CG1 3.36Å; A40-I44 PolarHBondContact O-N 2.82Å |
| 41 | A | 87 | Confident | 80.6 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.4 | -47 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T39 L43 I44 E45 | T39-A41 PolarHBondContact O-N 3.49Å; A41-L43 VanDerWaalsContact C-N 3.34Å; A41-L43 PolarHBondContact O-N 3.41Å; A41-I44 PolarHBondContact O-N 3.19Å; A41-E45 WeakPolarHBondContact O-CG 3.43Å; A41-E45 PolarHBondContact O-N 3.15Å |
| 42 | Q | 83.3 | Confident | 81.2 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 178.2 | -71.5 | 166.6 | -51.4 | 0 | 0 | 112.4 | I38 T39 A40 E45 N46 | I38-Q42 HydrophobicContact CG2-CB 3.92Å; T39-Q42 PolarHBondContact O-N 3.1Å; T39-Q42 PolarHBondContact OG1-N 2.84Å; T39-Q42 PolarHBondContact OG1-OE1 3.19Å; T39-Q42 VanDerWaalsContact OG1-OE1 3.07Å; A40-Q42 PolarHBondContact O-N 3.24Å; Q42-E45 PolarHBondContact O-N 2.87Å; Q42-N46 WeakPolarHBondContact O-CB 3.48Å; Q42-N46 PolarHBondContact O-N 2.73Å; Q42-N46 VanDerWaalsContact O-N 3.09Å; Q42-N46 PolarHBondContact O-ND2 3.33Å |
| 43 | L | 84.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 173 | -66.5 | 179.5 | 0 | 0 | 0 | 110.7 | L15 V18 L19 I38 T39 A40 A41 N46 G47 V48 L74 | L15-L43 HydrophobicContact CD2-CD1 3.86Å; L15-L43 HydrophobicContact CD2-CD2 3.83Å; V18-L43 HydrophobicContact CB-CD1 4.13Å; V18-L43 HydrophobicContact CG1-CD1 3.75Å; L19-L43 HydrophobicContact CD2-CB 3.82Å; L19-L43 HydrophobicContact CD2-CD1 4.12Å; L19-L43 HydrophobicContact CG-CD1 4.09Å; I38-L43 HydrophobicContact CG2-CD2 3.7Å; I38-L43 HydrophobicContact CG2-CG 3.94Å; T39-L43 PolarHBondContact O-N 3.4Å; T39-L43 VanDerWaalsContact O-N 3.07Å; A40-L43 WeakPolarHBondContact O-CB 3.26Å; A40-L43 PolarHBondContact O-N 3.39Å; A41-L43 VanDerWaalsContact C-N 3.34Å; A41-L43 PolarHBondContact O-N 3.41Å; L43-N46 CarbonylContact O-C 3.53Å; L43-N46 PolarHBondContact O-N 2.89Å; L43-G47 PolarHBondContact O-N 3.2Å; L43-V48 HydrophobicContact CB-CB 4.11Å; L43-V48 VanDerWaalsContact O-CB 3.3Å; L43-V48 WeakPolarHBondContact O-CB 3.41Å; L43-V48 PolarHBondContact O-N 2.9Å; L43-L74 HydrophobicContact CD2-CD1 3.33Å |
| 44 | I | 83.6 | Confident | 82 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 52% | 0.518 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 179.4 | -65.2 | 163.8 | 0 | 0 | 0 | 111.3 | L19 A40 A41 N46 G47 | L19-I44 HydrophobicContact CD2-CD1 4.16Å; L19-I44 HydrophobicContact CD2-CG1 3.67Å; A40-I44 WeakPolarHBondContact O-CD1 3.48Å; A40-I44 VanDerWaalsContact O-CG1 3.26Å; A40-I44 WeakPolarHBondContact O-CG1 3.36Å; A40-I44 PolarHBondContact O-N 2.82Å; A41-I44 PolarHBondContact O-N 3.19Å; I44-N46 PolarHBondContact O-N 3.22Å; I44-G47 PolarHBondContact O-N 3.07Å |
| 45 | E | 82.4 | Confident | 82.3 | Confident | 157 Ų | 157 | 64.4 Ų | 64.4 | 73% | 0.734 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.2 | -32.1 | 175 | -75.1 | 179.9 | 118.1 | 0 | 0 | 112.1 | A41 Q42 G47 | A41-E45 WeakPolarHBondContact O-CG 3.43Å; A41-E45 PolarHBondContact O-N 3.15Å; Q42-E45 PolarHBondContact O-N 2.87Å; E45-G47 VanDerWaalsContact C-N 3.27Å; E45-G47 PolarHBondContact O-N 3.48Å |
| 46 | N | 76 | Confident | 82.3 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 4.7 | 173.6 | -78.8 | -76.1 | 0 | 0 | 0 | 114.1 | Q42 L43 I44 Y72 L74 | Q42-N46 WeakPolarHBondContact O-CB 3.48Å; Q42-N46 PolarHBondContact O-N 2.73Å; Q42-N46 VanDerWaalsContact O-N 3.09Å; Q42-N46 PolarHBondContact O-ND2 3.33Å; L43-N46 CarbonylContact O-C 3.53Å; L43-N46 PolarHBondContact O-N 2.89Å; I44-N46 PolarHBondContact O-N 3.22Å; N46-Y72 PolarHBondContact OD1-O 2.79Å; N46-L74 HydrophobicContact CB-CD1 4.42Å |
| 47 | G | 78.7 | Confident | 82.1 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 54% | 0.536 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 12.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L43 I44 E45 T49 | L43-G47 PolarHBondContact O-N 3.2Å; I44-G47 PolarHBondContact O-N 3.07Å; E45-G47 VanDerWaalsContact C-N 3.27Å; E45-G47 PolarHBondContact O-N 3.48Å; G47-T49 PolarHBondContact O-N 3Å |
| 48 | V | 81.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | trans | -81.5 | 116.9 | 175.5 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | L19 L43 L53 L74 I76 | L19-V48 HydrophobicContact CD1-CG1 4.14Å; L43-V48 HydrophobicContact CB-CB 4.11Å; L43-V48 VanDerWaalsContact O-CB 3.3Å; L43-V48 WeakPolarHBondContact O-CB 3.41Å; L43-V48 PolarHBondContact O-N 2.9Å; V48-L53 HydrophobicContact CG1-CD1 3.96Å; V48-L53 HydrophobicContact CG1-CD2 3.83Å; V48-L53 HydrophobicContact CG1-CG 3.9Å; V48-L74 HydrophobicContact CG2-CB 3.74Å; V48-L74 HydrophobicContact CG2-CD1 3.7Å; V48-L74 HydrophobicContact CG2-CG 4.27Å; V48-I76 HydrophobicContact CB-CD1 4.31Å; V48-I76 HydrophobicContact CG1-CD1 4Å; V48-I76 HydrophobicContact CG2-CD1 4.05Å | ||
| 49 | T | 84.5 | Confident | 81 | Confident | 59 Ų | 59 | 63 Ų | 63 | 36% | 0.362 | 34% | 0.342 | S | S | . | . | trans | -121.4 | 158.7 | 175.8 | 65.7 | 0 | 0 | 0 | 0 | 110.4 | G47 E51 A52 L53 | G47-T49 PolarHBondContact O-N 3Å; T49-E51 VanDerWaalsContact C-N 3.26Å; T49-E51 PolarHBondContact O-N 2.92Å; T49-A52 WeakPolarHBondContact O-CB 3.42Å; T49-A52 PolarHBondContact O-N 2.86Å; T49-A52 WeakPolarHBondContact OG1-CB 3.46Å; T49-A52 PolarHBondContact OG1-N 3.36Å; T49-L53 WeakPolarHBondContact O-CG 3.25Å; T49-L53 PolarHBondContact O-N 3.16Å | ||
| 50 | V | 84 | Confident | 80.2 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 29% | 0.291 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.5 | -44.3 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | I16 L19 T20 A52 L53 E54 | I16-V50 HydrophobicContact CG2-CG1 4.4Å; L19-V50 HydrophobicContact CB-CG2 3.8Å; L19-V50 HydrophobicContact CD1-CG2 4.01Å; T20-V50 HydrophobicContact CG2-CG2 4.32Å; V50-A52 VanDerWaalsContact C-N 3.28Å; V50-A52 PolarHBondContact O-N 2.95Å; V50-L53 PolarHBondContact O-N 3.2Å; V50-L53 VanDerWaalsContact O-N 3.07Å; V50-E54 HydrophobicContact CG1-CG 4.34Å; V50-E54 WeakPolarHBondContact O-CG 3.4Å; V50-E54 PolarHBondContact O-N 3.48Å |
| 51 | E | 84.2 | Confident | 79.3 | Confident | 143 Ų | 143 | 61.6 Ų | 61.6 | 67% | 0.668 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.2 | -38 | 176.9 | -60.3 | 177.4 | 117.6 | 0 | 0 | 112.4 | T49 L55 | T49-E51 VanDerWaalsContact C-N 3.26Å; T49-E51 PolarHBondContact O-N 2.92Å; E51-L55 WeakPolarHBondContact O-CG 3.44Å; E51-L55 PolarHBondContact O-N 2.99Å |
| 52 | A | 81.8 | Confident | 78.1 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 24% | 0.24 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.8 | -37.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T49 V50 L55 A56 I76 | T49-A52 WeakPolarHBondContact O-CB 3.42Å; T49-A52 PolarHBondContact O-N 2.86Å; T49-A52 WeakPolarHBondContact OG1-CB 3.46Å; T49-A52 PolarHBondContact OG1-N 3.36Å; V50-A52 VanDerWaalsContact C-N 3.28Å; V50-A52 PolarHBondContact O-N 2.95Å; A52-L55 PolarHBondContact O-N 3.29Å; A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 2.85Å; A52-A56 VanDerWaalsContact O-N 3.07Å; A52-I76 HydrophobicContact CB-CD1 3.96Å |
| 53 | L | 84.5 | Confident | 77 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.4 | -36.2 | 178 | -64.9 | 172.2 | 0 | 0 | 0 | 112.6 | L12 L15 I16 L19 V48 T49 V50 L55 A56 A59 I76 | L12-L53 HydrophobicContact CD2-CB 4.39Å; L12-L53 HydrophobicContact CD2-CD2 3.62Å; L15-L53 HydrophobicContact CB-CD1 3.5Å; L15-L53 HydrophobicContact CB-CD2 4.17Å; L15-L53 HydrophobicContact CD1-CD2 3.78Å; I16-L53 HydrophobicContact CD1-CB 4.31Å; I16-L53 HydrophobicContact CG1-CB 3.99Å; I16-L53 HydrophobicContact CG1-CD1 3.81Å; L19-L53 HydrophobicContact CD1-CD1 3.62Å; V48-L53 HydrophobicContact CG1-CD1 3.96Å; V48-L53 HydrophobicContact CG1-CD2 3.83Å; V48-L53 HydrophobicContact CG1-CG 3.9Å; T49-L53 WeakPolarHBondContact O-CG 3.25Å; T49-L53 PolarHBondContact O-N 3.16Å; V50-L53 PolarHBondContact O-N 3.2Å; V50-L53 VanDerWaalsContact O-N 3.07Å; L53-L55 PolarHBondContact O-N 3.46Å; L53-A56 WeakPolarHBondContact O-CB 3.33Å; L53-A56 PolarHBondContact O-N 3.44Å; L53-A56 VanDerWaalsContact O-N 3.09Å; L53-A59 HydrophobicContact CD2-CB 4.27Å; L53-I76 HydrophobicContact CD2-CD1 4.31Å |
| 54 | E | 79.8 | Confident | 75.6 | Confident | 141 Ų | 141 | 61 Ų | 61 | 66% | 0.659 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.1 | -29.2 | 174.9 | -73.2 | -176.1 | 123.8 | 0 | 0 | 112.5 | V50 | V50-E54 HydrophobicContact CG1-CG 4.34Å; V50-E54 WeakPolarHBondContact O-CG 3.4Å; V50-E54 PolarHBondContact O-N 3.48Å |
| 55 | L | 78.9 | Confident | 73.8 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 37% | 0.366 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -13 | 175.3 | -63.7 | 175 | 0 | 0 | 0 | 113.1 | E51 A52 L53 M86 | E51-L55 WeakPolarHBondContact O-CG 3.44Å; E51-L55 PolarHBondContact O-N 2.99Å; A52-L55 PolarHBondContact O-N 3.29Å; L53-L55 PolarHBondContact O-N 3.46Å; L55-M86 HydrophobicContact CD1-CE 3.73Å; L55-M86 HydrophobicContact CD1-SD 3.69Å |
| 56 | A | 76.2 | Confident | 71.8 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 145.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L12 A52 L53 I76 | L12-A56 HydrophobicContact CD1-CB 4.17Å; L12-A56 WeakPolarHBondContact CD1-O 3.37Å; L12-A56 HydrophobicContact CD2-CB 3.84Å; A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 2.85Å; A52-A56 VanDerWaalsContact O-N 3.07Å; L53-A56 WeakPolarHBondContact O-CB 3.33Å; L53-A56 PolarHBondContact O-N 3.44Å; L53-A56 VanDerWaalsContact O-N 3.09Å; A56-I76 HydrophobicContact CB-CG2 3.33Å |
| 57 | E | 74.1 | Confident | 70.3 | Confident | 121 Ų | 121 | 56.3 Ų | 56.3 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -29.3 | 166.6 | -177.1 | 177.6 | 176.7 | 0 | 0 | 111.3 | N79 | E57-N79 HydrophobicContact CB-CB 4.29Å; E57-N79 PolarHBondContact OE2-ND2 3.05Å |
| 58 | R | 73.4 | Confident | 68.8 | Low | 115 Ų | 115 | 62.3 Ų | 62.3 | 43% | 0.434 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 149.9 | 178.3 | 61.8 | 177.6 | -175.6 | -101.1 | -4.4 | 110.6 | E60 | R58-E60 IonicContact NE-OE2 3.27Å; R58-E60 PolarHBondContact NE-OE2 3.21Å |
| 59 | A | 68.7 | Low | 67.2 | Low | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | V10 L12 L15 L53 | V10-A59 PolarHBondContact N-O 3.02Å; V10-A59 VanDerWaalsContact N-O 3.15Å; L12-A59 HydrophobicContact CD2-CB 3.62Å; L15-A59 HydrophobicContact CD1-CB 3.29Å; L53-A59 HydrophobicContact CD2-CB 4.27Å |
| 60 | E | 71.2 | Confident | 65.6 | Low | 50 Ų | 50 | 70.8 Ų | 70.8 | 23% | 0.234 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128 | 178.7 | -70.6 | 174.7 | 100.1 | 0 | 0 | 107.3 | I7 R58 L74 P75 | I7-E60 HydrophobicContact CG2-CB 3.84Å; I7-E60 HydrophobicContact CG2-CG 4.14Å; R58-E60 IonicContact NE-OE2 3.27Å; R58-E60 PolarHBondContact NE-OE2 3.21Å; E60-L74 WeakPolarHBondContact O-CA 3.49Å; E60-P75 HydrophobicContact CB-CG 4.16Å; E60-P75 PolarHBondContact N-O 2.89Å; E60-P75 WeakPolarHBondContact O-CD 3.14Å |
| 61 | L | 66.9 | Low | 64.1 | Low | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 110.7 | 176.9 | 175.5 | 65.6 | 0 | 0 | 0 | 109 | I7 L8 V10 L26 F28 I38 Y72 L74 | I7-L61 WeakPolarHBondContact CA-O 3.15Å; L8-L61 HydrophobicContact CB-CB 4.46Å; L8-L61 PolarHBondContact N-O 3.3Å; L8-L61 PolarHBondContact O-N 3.26Å; V10-L61 HydrophobicContact CG2-CB 4.13Å; L26-L61 HydrophobicContact CD2-CD2 4.39Å; F28-L61 HydrophobicContact CD1-CD2 3.9Å; F28-L61 HydrophobicContact CE1-CD2 3.14Å; F28-L61 HydrophobicContact CE2-CD2 4.21Å; F28-L61 HydrophobicContact CZ-CD2 3.29Å; F28-L61 HydrophobicContact CZ-CG 4.42Å; I38-L61 HydrophobicContact CD1-CD1 3.54Å; I38-L61 HydrophobicContact CD1-CD2 3.38Å; I38-L61 HydrophobicContact CD1-CG 4.09Å; L61-Y72 HydrophobicContact CD1-CD1 4.26Å; L61-Y72 HydrophobicContact CD1-CG 4.49Å; L61-L74 HydrophobicContact CB-CD2 3.61Å; L61-L74 HydrophobicContact CB-CG 4.44Å; L61-L74 HydrophobicContact CD1-CD1 3.94Å; L61-L74 HydrophobicContact CD1-CD2 3.53Å; L61-L74 HydrophobicContact CD1-CG 3.46Å; L61-L74 VanDerWaalsContact CD1-CG 3.46Å; L61-L74 HydrophobicContact CG-CD2 4.11Å |
| 62 | E | 62.9 | Low | 62.8 | Low | 74 Ų | 74 | 70.1 Ų | 70.1 | 35% | 0.346 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 111.5 | 173.3 | -168.5 | 174.5 | 90.9 | 0 | 0 | 109.3 | A5 F6 I7 Y72 S73 | A5-E62 HydrophobicContact CB-CG 4.04Å; F6-E62 WeakPolarHBondContact O-CA 3.31Å; I7-E62 HydrophobicContact CG1-CG 4.43Å; E62-Y72 CarbonylContact O-C 3.59Å; E62-Y72 WeakPolarHBondContact O-CA 2.95Å; E62-S73 WeakPolarHBondContact CA-O 3.5Å; E62-S73 WeakPolarHBondContact CB-O 3.28Å; E62-S73 PolarHBondContact N-O 2.83Å; E62-S73 PolarHBondContact O-N 3.17Å |
| 63 | G | 60.1 | Low | 61.6 | Low | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 136 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A5 F6 | A5-G63 WeakPolarHBondContact CA-O 3.41Å; F6-G63 WeakPolarHBondContact CD1-O 2.9Å; F6-G63 VanDerWaalsContact CE1-O 3.28Å; F6-G63 WeakPolarHBondContact CE1-O 3.27Å; F6-G63 PolarHBondContact N-O 3.06Å; F6-G63 PolarHBondContact O-N 2.81Å |
| 64 | S | 53.4 | Low | 60.4 | Low | 34 Ų | 34 | 72 Ų | 72 | 24% | 0.238 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 108.4 | 168.6 | -73.5 | 0 | 0 | 0 | 0 | 110.1 | S66 E71 | S64-S66 VanDerWaalsContact C-N 3.34Å; S64-S66 PolarHBondContact O-N 3.45Å; S64-E71 PolarHBondContact N-O 2.93Å |
| 65 | T | 46.3 | Very low | 59.2 | Low | 35 Ų | 35 | 68.3 Ų | 68.3 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 87.3 | 170.2 | 62.3 | 0 | 0 | 0 | 0 | 109.3 | F6 D30 K31 | F6-T65 HydrophobicContact CE1-CG2 3.72Å; D30-T65 WeakPolarHBondContact OD2-CG2 3.18Å; K31-T65 WeakPolarHBondContact CE-OG1 3.46Å; K31-T65 PolarHBondContact NZ-OG1 3.35Å |
| 66 | S | 41.4 | Very low | 58.2 | Low | 58 Ų | 58 | 67.1 Ų | 67.1 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | trans | -92.9 | 134.6 | 161.8 | -165.9 | 0 | 0 | 0 | 0 | 107.9 | S64 E68 E69 | S64-S66 VanDerWaalsContact C-N 3.34Å; S64-S66 PolarHBondContact O-N 3.45Å; S66-E68 PolarHBondContact O-N 2.92Å; S66-E69 PolarHBondContact O-N 3.31Å | ||
| 67 | T | 44.2 | Very low | 57.2 | Low | 138 Ų | 138 | 68.5 Ų | 68.5 | 85% | 0.847 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -62.2 | 7.3 | -174.8 | 41.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 68 | E | 46.5 | Very low | 55.9 | Low | 178 Ų | 178 | 65.4 Ų | 65.4 | 83% | 0.832 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -128.7 | -31.6 | -178 | -123.2 | 158.9 | 92.4 | 0 | 0 | 113.4 | S66 | S66-E68 PolarHBondContact O-N 2.92Š|
| 69 | E | 49.4 | Very low | 54.5 | Low | 165 Ų | 165 | 62.3 Ų | 62.3 | 77% | 0.771 | 34% | 0.341 | S | S | * | . | trans | -154 | 129.7 | 177 | -62.5 | -177.4 | 98.8 | 0 | 0 | 107.4 | S66 E71 | S66-E69 PolarHBondContact O-N 3.31Å; E69-E71 PolarHBondContact O-N 2.9Å | ||
| 70 | T | 49.9 | Very low | 53.4 | Low | 72 Ų | 72 | 70.7 Ų | 70.7 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 108.9 | 174.1 | -39.2 | 0 | 0 | 0 | 0 | 109.2 | Y72 | T70-Y72 HydrophobicContact CG2-CD1 4.39Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.69Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å |
| 71 | E | 53.5 | Low | 52.1 | Low | 147 Ų | 147 | 73 Ų | 73 | 69% | 0.687 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.9 | 174.3 | -161.9 | 172.9 | 87.7 | 0 | 0 | 108.4 | S64 E69 | S64-E71 PolarHBondContact N-O 2.93Å; E69-E71 PolarHBondContact O-N 2.9Å |
| 72 | Y | 55.7 | Low | 50.9 | Low | 31 Ų | 31 | 78.5 Ų | 78.5 | 12% | 0.122 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132.5 | 176.4 | -59.4 | -76.2 | 0 | 0 | 0 | 108.3 | F28 V36 I38 N46 L61 E62 T70 | F28-Y72 HydrophobicContact CZ-CD1 4.49Å; F28-Y72 HydrophobicContact CZ-CE1 4.01Å; V36-Y72 HydrophobicContact CG1-CE1 3.77Å; V36-Y72 WeakPolarHBondContact CG1-OH 3.45Å; I38-Y72 HydrophobicContact CD1-CD1 3.89Å; I38-Y72 HydrophobicContact CD1-CD2 4.26Å; I38-Y72 HydrophobicContact CD1-CE1 4.28Å; I38-Y72 HydrophobicContact CD1-CG 3.88Å; N46-Y72 PolarHBondContact OD1-O 2.79Å; L61-Y72 HydrophobicContact CD1-CD1 4.26Å; L61-Y72 HydrophobicContact CD1-CG 4.49Å; E62-Y72 CarbonylContact O-C 3.59Å; E62-Y72 WeakPolarHBondContact O-CA 2.95Å; T70-Y72 HydrophobicContact CG2-CD1 4.39Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.69Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å |
| 73 | S | 57.5 | Low | 49.9 | Very low | 52 Ų | 52 | 80.1 Ų | 80.1 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.8 | 171.6 | -72.7 | 0 | 0 | 0 | 0 | 108.7 | E62 P75 | E62-S73 WeakPolarHBondContact CA-O 3.5Å; E62-S73 WeakPolarHBondContact CB-O 3.28Å; E62-S73 PolarHBondContact N-O 2.83Å; E62-S73 PolarHBondContact O-N 3.17Å; S73-P75 WeakPolarHBondContact O-CD 3.03Å |
| 74 | L | 57.6 | Low | 49 | Very low | 19 Ų | 19 | 85 Ų | 85 | 10% | 0.099 | 47% | 0.47 | C | S | . | . | trans | -110.3 | 88 | 180 | -81.6 | 150.2 | 0 | 0 | 0 | 110.3 | L43 N46 V48 E60 L61 I76 | L43-L74 HydrophobicContact CD2-CD1 3.33Å; N46-L74 HydrophobicContact CB-CD1 4.42Å; V48-L74 HydrophobicContact CG2-CB 3.74Å; V48-L74 HydrophobicContact CG2-CD1 3.7Å; V48-L74 HydrophobicContact CG2-CG 4.27Å; E60-L74 WeakPolarHBondContact O-CA 3.49Å; L61-L74 HydrophobicContact CB-CD2 3.61Å; L61-L74 HydrophobicContact CB-CG 4.44Å; L61-L74 HydrophobicContact CD1-CD1 3.94Å; L61-L74 HydrophobicContact CD1-CD2 3.53Å; L61-L74 HydrophobicContact CD1-CG 3.46Å; L61-L74 VanDerWaalsContact CD1-CG 3.46Å; L61-L74 HydrophobicContact CG-CD2 4.11Å; L74-I76 PolarHBondContact O-N 3.47Å | ||
| 75 | P | 56.5 | Low | 48.4 | Very low | 63 Ų | 63 | 91.7 Ų | 91.7 | 41% | 0.409 | 50% | 0.495 | S | S | . | . | trans | -66.4 | 112.6 | 167.7 | 25.5 | -34 | 0 | 0 | 0 | 110.8 | E60 S73 | E60-P75 HydrophobicContact CB-CG 4.16Å; E60-P75 PolarHBondContact N-O 2.89Å; E60-P75 WeakPolarHBondContact O-CD 3.14Å; S73-P75 WeakPolarHBondContact O-CD 3.03Å | ||
| 76 | I | 57 | Low | 48.1 | Very low | 45 Ų | 45 | 96.2 Ų | 96.2 | 23% | 0.231 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 119.7 | 168 | -56.2 | 174.6 | 0 | 0 | 0 | 107.8 | V48 A52 L53 A56 L74 P78 | V48-I76 HydrophobicContact CB-CD1 4.31Å; V48-I76 HydrophobicContact CG1-CD1 4Å; V48-I76 HydrophobicContact CG2-CD1 4.05Å; A52-I76 HydrophobicContact CB-CD1 3.96Å; L53-I76 HydrophobicContact CD2-CD1 4.31Å; A56-I76 HydrophobicContact CB-CG2 3.33Å; L74-I76 PolarHBondContact O-N 3.47Å; I76-P78 VanDerWaalsContact O-CD 3.29Å; I76-P78 WeakPolarHBondContact O-CD 3.48Å |
| 77 | S | 54.9 | Low | 48 | Very low | 40 Ų | 40 | 99.8 Ų | 99.8 | 28% | 0.28 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 108.7 | 174.4 | -70.6 | 0 | 0 | 0 | 0 | 110 | ||
| 78 | P | 46.5 | Very low | 47.8 | Very low | 57 Ų | 57 | 100 Ų | 100 | 37% | 0.37 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 137.6 | 169.8 | 27.9 | -32.8 | 0 | 0 | 0 | 109.5 | I76 E80 M83 | I76-P78 VanDerWaalsContact O-CD 3.29Å; I76-P78 WeakPolarHBondContact O-CD 3.48Å; P78-E80 PolarHBondContact O-N 3.32Å; P78-E80 VanDerWaalsContact O-N 3.13Å; P78-M83 HydrophobicContact CB-CG 4.25Å; P78-M83 HydrophobicContact CB-SD 4.14Å; P78-M83 HydrophobicContact CG-CE 3.82Å; P78-M83 HydrophobicContact CG-CG 4.4Å; P78-M83 HydrophobicContact CG-SD 3.75Å |
| 79 | N | 44.3 | Very low | 47.4 | Very low | 50 Ų | 50 | 97 Ų | 97 | 27% | 0.267 | 52% | 0.52 | S | S | . | . | trans | -58.2 | 119.2 | 173.5 | -176.6 | -58.8 | 0 | 0 | 0 | 109.1 | E57 S81 Q82 | E57-N79 HydrophobicContact CB-CB 4.29Å; E57-N79 PolarHBondContact OE2-ND2 3.05Å; N79-S81 PolarHBondContact O-N 2.99Å; N79-S81 VanDerWaalsContact OD1-CA 3.27Å; N79-S81 WeakPolarHBondContact OD1-CA 3.31Å; N79-S81 WeakPolarHBondContact OD1-CB 3.27Å; N79-S81 PolarHBondContact OD1-N 3.17Å; N79-Q82 PolarHBondContact O-N 2.83Å | ||
| 80 | E | 45.6 | Very low | 46.9 | Very low | 177 Ų | 177 | 96.4 Ų | 96.4 | 83% | 0.827 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -15.1 | -179.7 | -68.2 | -176.8 | 90.5 | 0 | 0 | 112.9 | P78 | P78-E80 PolarHBondContact O-N 3.32Å; P78-E80 VanDerWaalsContact O-N 3.13Å |
| 81 | S | 44.1 | Very low | 46.2 | Very low | 98 Ų | 98 | 104.1 Ų | 104.1 | 69% | 0.685 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -7.3 | 178.4 | -153.6 | 0 | 0 | 0 | 0 | 114.9 | N79 | N79-S81 PolarHBondContact O-N 2.99Å; N79-S81 VanDerWaalsContact OD1-CA 3.27Å; N79-S81 WeakPolarHBondContact OD1-CA 3.31Å; N79-S81 WeakPolarHBondContact OD1-CB 3.27Å; N79-S81 PolarHBondContact OD1-N 3.17Å |
| 82 | Q | 41.8 | Very low | 45.5 | Very low | 116 Ų | 116 | 102.8 Ų | 102.8 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | -10.5 | 173.6 | -78.1 | -169 | 72.4 | 0 | 0 | 114.5 | N79 S84 F85 | N79-Q82 PolarHBondContact O-N 2.83Å; Q82-S84 PolarHBondContact O-N 2.82Å; Q82-F85 PolarHBondContact O-N 3.07Å |
| 83 | M | 42.4 | Very low | 44.8 | Very low | 107 Ų | 107 | 106.9 Ų | 106.9 | 53% | 0.527 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.4 | -4.8 | 178.7 | -68.9 | -126.1 | -87.9 | 0 | 0 | 114.6 | P78 F85 | P78-M83 HydrophobicContact CB-CG 4.25Å; P78-M83 HydrophobicContact CB-SD 4.14Å; P78-M83 HydrophobicContact CG-CE 3.82Å; P78-M83 HydrophobicContact CG-CG 4.4Å; P78-M83 HydrophobicContact CG-SD 3.75Å; M83-F85 VanDerWaalsContact C-N 3.35Å |
| 84 | S | 40.8 | Very low | 44.1 | Very low | 103 Ų | 103 | 110.7 Ų | 110.7 | 72% | 0.72 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -79.9 | -8.1 | 169.3 | -64.6 | 0 | 0 | 0 | 0 | 114.6 | Q82 | Q82-S84 PolarHBondContact O-N 2.82Å |
| 85 | F | 40.9 | Very low | 43.4 | Very low | 174 Ų | 174 | 114.6 Ų | 114.6 | 76% | 0.763 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -95.1 | -26.5 | 177.7 | -79.3 | -86.9 | 0 | 0 | 0 | 114 | Q82 M83 | Q82-F85 PolarHBondContact O-N 3.07Å; M83-F85 VanDerWaalsContact C-N 3.35Å |
| 86 | M | 40 | Very low | 42.6 | Very low | 130 Ų | 130 | 118 Ų | 118 | 64% | 0.64 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -91.6 | -14.1 | -180 | -91 | 153 | 82.4 | 0 | 0 | 114.5 | L55 N88 C89 | L55-M86 HydrophobicContact CD1-CE 3.73Å; L55-M86 HydrophobicContact CD1-SD 3.69Å; M86-N88 PolarHBondContact O-N 3.07Å; M86-C89 PolarHBondContact O-N 3.43Å |
| 87 | E | 39.9 | Very low | 41.8 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 63% | 0.626 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -79.2 | -2.7 | 176.6 | -127.1 | -173.3 | 123.9 | 0 | 0 | 114.6 | C89 K90 | E87-C89 VanDerWaalsContact C-N 3.32Å; E87-K90 HydrophobicContact CG-CD 4.49Å; E87-K90 IonicContact OE1-NZ 2.8Å; E87-K90 PolarHBondContact OE1-NZ 2.92Å |
| 88 | N | 39.9 | Very low | 41.1 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -85.6 | 2.1 | 170.6 | -157.5 | 69.9 | 0 | 0 | 0 | 113.8 | M86 K90 | M86-N88 PolarHBondContact O-N 3.07Å; N88-K90 VanDerWaalsContact C-N 3.27Å; N88-K90 PolarHBondContact O-N 3.07Å |
| 89 | C | 37.2 | Very low | 41 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 78% | 0.784 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -86.8 | 12 | 172.1 | -73.1 | 0 | 0 | 0 | 0 | 113.7 | M86 E87 R91 | M86-C89 PolarHBondContact O-N 3.43Å; E87-C89 VanDerWaalsContact C-N 3.32Å; C89-R91 PolarHBondContact O-N 3.22Å |
| 90 | K | 38.8 | Very low | 40.9 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -82.4 | 89.5 | 166.6 | -91.8 | 154.7 | 168.8 | 173.1 | 0 | 110.1 | E87 N88 | E87-K90 HydrophobicContact CG-CD 4.49Å; E87-K90 IonicContact OE1-NZ 2.8Å; E87-K90 PolarHBondContact OE1-NZ 2.92Å; N88-K90 VanDerWaalsContact C-N 3.27Å; N88-K90 PolarHBondContact O-N 3.07Å |
| 91 | R | 34.7 | Very low | 41.2 | Very low | 234 Ų | 234 | 135.3 Ų | 135.3 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | 42.1 | 92.7 | 156.8 | -81.6 | -175.9 | -101.5 | 157.1 | -7.8 | 116.4 | C89 T93 | C89-R91 PolarHBondContact O-N 3.22Å; R91-T93 PolarHBondContact O-N 2.84Å | ||
| 92 | P | 38.9 | Very low | 41.5 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | -75.3 | 114.4 | 146.9 | 30.5 | -25.2 | 0 | 0 | 0 | 107.6 | ||||
| 93 | T | 42.7 | Very low | 41.9 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | -48.6 | 138.5 | 159.4 | 36.4 | 0 | 0 | 0 | 0 | 109 | R91 S95 | R91-T93 PolarHBondContact O-N 2.84Å; T93-S95 PolarHBondContact O-N 3.09Å | ||
| 94 | P | 42.3 | Very low | 42.6 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | -68.7 | 96.4 | -176 | 27.7 | -32.7 | 0 | 0 | 0 | 109.3 | ||||
| 95 | S | 41.9 | Very low | 43.1 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -90.3 | 119.9 | 157.7 | -71.2 | 0 | 0 | 0 | 0 | 107.1 | T93 S97 | T93-S95 PolarHBondContact O-N 3.09Å; S95-S97 PolarHBondContact O-N 2.83Å | ||
| 96 | P | 40.6 | Very low | 43.8 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | trans | -76.6 | 101.2 | -178.9 | 31.4 | -29.7 | 0 | 0 | 0 | 107.5 | ||||
| 97 | S | 40.4 | Very low | 44.3 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | trans | -126.3 | 110 | 167.7 | -155.6 | 0 | 0 | 0 | 0 | 108.5 | S95 Y99 | S95-S97 PolarHBondContact O-N 2.83Å; S97-Y99 PolarHBondContact O-N 3.12Å; S97-Y99 WeakPolarHBondContact OG-CE2 3.36Å | ||
| 98 | M | 40.4 | Very low | 45 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | -64.7 | 107.8 | 179.7 | -61.2 | -150.5 | -62.2 | 0 | 0 | 110.1 | ||||
| 99 | Y | 43.4 | Very low | 45.4 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | trans | -139.3 | 118.6 | 159.1 | -69.6 | -78.3 | 0 | 0 | 0 | 108.9 | S97 V101 | S97-Y99 PolarHBondContact O-N 3.12Å; S97-Y99 WeakPolarHBondContact OG-CE2 3.36Å; Y99-V101 PolarHBondContact O-N 2.81Å | ||
| 100 | T | 42.1 | Very low | 46 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 87% | 0.865 | 73% | 0.733 | S | S | * | * | trans | -46.4 | 116.2 | 179 | -45.4 | 0 | 0 | 0 | 0 | 111.5 | E102 | T100-E102 PolarHBondContact O-N 2.98Š| ||
| 101 | V | 53.2 | Low | 46.5 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 76% | 0.758 | 72% | 0.72 | S | S | * | * | trans | -79.2 | 108.4 | 164.2 | 175.4 | 0 | 0 | 0 | 0 | 106.1 | Y99 E103 | Y99-V101 PolarHBondContact O-N 2.81Å; V101-E103 PolarHBondContact O-N 3.02Å | ||
| 102 | E | 49.8 | Very low | 47.1 | Very low | 185 Ų | 185 | 133.3 Ų | 133.3 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | -66.5 | 110.8 | 154.7 | -79.4 | -165.1 | 95.1 | 0 | 0 | 106.7 | T100 P104 | T100-E102 PolarHBondContact O-N 2.98Å; E102-P104 VanDerWaalsContact O-CD 3.31Å; E102-P104 WeakPolarHBondContact O-CD 3.09Å | ||
| 103 | E | 50.4 | Low | 47.7 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -69 | 116.2 | 176.9 | -170.2 | 178.4 | 107.6 | 0 | 0 | 108.9 | V101 E105 | V101-E103 PolarHBondContact O-N 3.02Å; E103-E105 PolarHBondContact O-N 2.77Å |
| 104 | P | 56 | Low | 47.9 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 119.1 | 167.9 | 27.3 | -29.6 | 0 | 0 | 0 | 108.7 | E102 | E102-P104 VanDerWaalsContact O-CD 3.31Å; E102-P104 WeakPolarHBondContact O-CD 3.09Å |
| 105 | E | 52.4 | Low | 48.3 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 76% | 0.757 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 135.9 | -173.8 | -64.2 | -159.2 | 112 | 0 | 0 | 112.7 | E103 N107 | E103-E105 PolarHBondContact O-N 2.77Å; E105-N107 PolarHBondContact O-N 3.04Å |
| 106 | P | 55.4 | Low | 48.7 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 57% | 0.571 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 12.3 | -171.5 | 26.6 | -35 | 0 | 0 | 0 | 116.1 | W109 | P106-W109 PolarHBondContact O-NE1 2.86Å; P106-W109 VanDerWaalsContact O-NE1 3.16Å |
| 107 | N | 51.1 | Low | 49 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 54% | 0.54 | 70% | 0.701 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.2 | 8.4 | -166.6 | -75 | 20.1 | 0 | 0 | 0 | 115.5 | E105 W109 L110 | E105-N107 PolarHBondContact O-N 3.04Å; N107-W109 VanDerWaalsContact C-N 3.3Å; N107-W109 PolarHBondContact O-N 3.46Å; N107-L110 PolarHBondContact O-N 2.98Å |
| 108 | S | 52.7 | Low | 49.3 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -67.1 | -24.7 | -179.6 | -92.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 109 | W | 48.9 | Very low | 49.5 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -79.6 | -20.3 | 179.8 | 64 | -79.1 | 0 | 0 | 0 | 113.2 | P106 N107 N111 W112 L113 | P106-W109 PolarHBondContact O-NE1 2.86Å; P106-W109 VanDerWaalsContact O-NE1 3.16Å; N107-W109 VanDerWaalsContact C-N 3.3Å; N107-W109 PolarHBondContact O-N 3.46Å; W109-N111 PolarHBondContact O-N 3.27Å; W109-W112 PolarHBondContact O-N 3.28Å; W109-L113 HydrophobicContact CE3-CD1 4.46Å; W109-L113 HydrophobicContact CZ3-CD1 4.44Å |
| 110 | L | 49.8 | Very low | 49.8 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 46% | 0.461 | 71% | 0.708 | S | S | . | * | G | 310 helix | trans | -72.4 | -10.6 | 174.7 | -75.1 | 170.7 | 0 | 0 | 0 | 113.6 | N107 | N107-L110 PolarHBondContact O-N 2.98Š|
| 111 | N | 50.2 | Low | 50.1 | Low | 75 Ų | 75 | 135.1 Ų | 135.1 | 40% | 0.401 | 71% | 0.709 | S | S | . | * | G | 310 helix | trans | -80.9 | -27 | 174.5 | -96.4 | -16.1 | 0 | 0 | 0 | 113.1 | W109 R114 | W109-N111 PolarHBondContact O-N 3.27Å; N111-R114 PolarHBondContact O-N 2.78Å; N111-R114 PolarHBondContact OD1-NH2 3.42Å; N111-R114 VanDerWaalsContact OD1-NH2 3.12Å |
| 112 | W | 47.5 | Very low | 50.2 | Low | 222 Ų | 222 | 137.6 Ų | 137.6 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -31 | -178.9 | -78.7 | 45.4 | 0 | 0 | 0 | 112.4 | W109 R114 | W109-W112 PolarHBondContact O-N 3.28Å; W112-R114 VanDerWaalsContact C-N 3.29Å; W112-R114 PolarHBondContact O-N 2.98Å |
| 113 | L | 51 | Low | 50 | Low | 123 Ų | 123 | 135.7 Ų | 135.7 | 64% | 0.644 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -15 | 174.2 | -81.4 | 157.4 | 0 | 0 | 0 | 113.6 | W109 | W109-L113 HydrophobicContact CE3-CD1 4.46Å; W109-L113 HydrophobicContact CZ3-CD1 4.44Å |
| 114 | R | 46.6 | Very low | 49.7 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -13.7 | 179.9 | -162.2 | 170.7 | 70.2 | -163.5 | -3.4 | 113.4 | N111 W112 | N111-R114 PolarHBondContact O-N 2.78Å; N111-R114 PolarHBondContact OD1-NH2 3.42Å; N111-R114 VanDerWaalsContact OD1-NH2 3.12Å; W112-R114 VanDerWaalsContact C-N 3.29Å; W112-R114 PolarHBondContact O-N 2.98Å |
| 115 | E | 50.2 | Low | 49.1 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -101 | -2.1 | -178.3 | -69.2 | -171.6 | 86.3 | 0 | 0 | 114 | ||
| 116 | A | 51.4 | Low | 48.6 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -99 | -0.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 117 | D | 47 | Very low | 48.2 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -117 | 60.3 | -169.6 | -154.8 | -88.9 | 0 | 0 | 0 | 112 | ||
| 118 | T | 45.7 | Very low | 48.3 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -157.8 | 1.3 | 169.7 | 36.8 | 0 | 0 | 0 | 0 | 118.3 | ||
| 119 | A | 45 | Very low | 47.9 | Very low | 91 Ų | 91 | 139 Ų | 139 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -145.1 | 90.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 120 | D | 48.9 | Very low | 47.6 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 167 | -0.8 | 132.8 | -118 | -108.2 | 0 | 0 | 0 | 114.8 | L122 | D120-L122 VanDerWaalsContact C-N 3.34Å; D120-L122 PolarHBondContact O-N 2.79Å |
| 121 | L | 48.7 | Very low | 47.5 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | trans | -90 | 34.9 | -172.9 | -62.7 | -176.7 | 0 | 0 | 0 | 116 | ||||
| 122 | L | 55.3 | Low | 47.3 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -136.9 | 56.8 | 174.8 | -67.3 | 177.3 | 0 | 0 | 0 | 112.4 | D120 | D120-L122 VanDerWaalsContact C-N 3.34Å; D120-L122 PolarHBondContact O-N 2.79Å | ||
| 123 | N | 44.9 | Very low | 47 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -146.5 | 35.4 | 166.3 | -156.1 | 28.8 | 0 | 0 | 0 | 115.6 | ||||
| 124 | I | 45.6 | Very low | 46.7 | Very low | 171 Ų | 171 | 143 Ų | 143 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -109.9 | 80.3 | 167 | -48.6 | 177.6 | 0 | 0 | 0 | 107.9 | N126 | I124-N126 PolarHBondContact O-N 3.38Š| ||
| 125 | S | 42.6 | Very low | 46.3 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -63.4 | 119.5 | 173 | -167.3 | 0 | 0 | 0 | 0 | 109.4 | S127 | S125-S127 PolarHBondContact O-N 2.8Š| ||
| 126 | N | 42.2 | Very low | 46.1 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -47.7 | 126 | 168.5 | -100.1 | -97.6 | 0 | 0 | 0 | 111.6 | I124 | I124-N126 PolarHBondContact O-N 3.38Š| ||
| 127 | S | 47.7 | Very low | 46 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | -148.8 | 130 | 151.1 | -77.5 | 0 | 0 | 0 | 0 | 109.5 | S125 | S125-S127 PolarHBondContact O-N 2.8Š| ||
| 128 | P | 52.3 | Low | 46.4 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -77.1 | 156.2 | -169.7 | 31.2 | -34.9 | 0 | 0 | 0 | 112.8 | ||||
| 129 | P | 44.1 | Very low | 46.7 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | trans | -86.1 | 125.8 | -173 | 33.7 | -30.9 | 0 | 0 | 0 | 111.3 | ||||
| 130 | E | 43.5 | Very low | 46.9 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -116.9 | 139.1 | 162.4 | -77 | -168.8 | 83.2 | 0 | 0 | 109.1 | ||||
| 131 | S | 46.2 | Very low | 46.4 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | 74.8 | 137.7 | 166 | 69.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 132 | V | 46.2 | Very low | 46.7 | Very low | 122 Ų | 122 | 139 Ų | 139 | 74% | 0.739 | 81% | 0.811 | S | S | * | * | cis | -173.1 | 127.2 | 1 | 125.6 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 133 | I | 42.9 | Very low | 46.8 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | 23.7 | 116.3 | 153 | 49.3 | 159 | 0 | 0 | 0 | 120.8 | ||||
| 134 | E | 43.2 | Very low | 47.5 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 95% | 0.949 | 81% | 0.807 | S | S | * | * | -157.6 | 145.2 | 123.5 | -121.9 | 174.9 | 94.1 | 0 | 0 | 110.1 | |||||
| 135 | T | 39 | Very low | 47.9 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -103.6 | 125.6 | -151.7 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 136 | E | 45.3 | Very low | 48.2 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -156.7 | 133.6 | 142.2 | -108.4 | -166.8 | 105.8 | 0 | 0 | 110.2 | ||||
| 137 | P | 49.3 | Very low | 48.6 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -89.1 | 115.5 | -173.2 | 33.3 | -30.1 | 0 | 0 | 0 | 111.6 | ||||
| 138 | I | 55.8 | Low | 48.6 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 125 | 167.5 | -32.2 | 174.9 | 0 | 0 | 0 | 107 | S140 | I138-S140 PolarHBondContact O-N 3.24Š|
| 139 | P | 52.6 | Low | 48.1 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69 | 120.3 | -170 | 25.8 | -32.6 | 0 | 0 | 0 | 111.7 | ||
| 140 | S | 48.5 | Very low | 48.2 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.1 | 174.5 | -173.5 | 0 | 0 | 0 | 0 | 111 | I138 A142 | I138-S140 PolarHBondContact O-N 3.24Å; S140-A142 PolarHBondContact O-N 3.19Å |
| 141 | C | 39.5 | Very low | 48.1 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 90% | 0.899 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 117.6 | 158 | -80.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 142 | A | 54.2 | Low | 48.2 | Very low | 84 Ų | 84 | 138.5 Ų | 138.5 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | trans | -146.7 | 130 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | S140 | S140-A142 PolarHBondContact O-N 3.19Š| ||
| 143 | P | 56.3 | Low | 48.3 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 142.8 | -179.3 | 28.7 | -33.4 | 0 | 0 | 0 | 110.6 | E145 | P143-E145 PolarHBondContact O-N 3.43Š|
| 144 | P | 60.4 | Low | 48.2 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 127.5 | 175.1 | 26.9 | -31.5 | 0 | 0 | 0 | 111 | ||
| 145 | E | 53.9 | Low | 48.3 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 145.3 | 169.1 | -76.9 | 179.7 | 76.9 | 0 | 0 | 112 | P143 T147 | P143-E145 PolarHBondContact O-N 3.43Å; E145-T147 PolarHBondContact O-N 3.03Å |
| 146 | P | 49.2 | Very low | 48.9 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -75.3 | 96.3 | 173.9 | 31.2 | -31.6 | 0 | 0 | 0 | 109.7 | ||||
| 147 | T | 50.9 | Low | 49 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -84.8 | 122.9 | 172.3 | -51.5 | 0 | 0 | 0 | 0 | 109.8 | E145 | E145-T147 PolarHBondContact O-N 3.03Š| ||
| 148 | A | 46.4 | Very low | 48.9 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 60% | 0.603 | 79% | 0.79 | S | S | * | * | trans | -81.5 | 152.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 149 | I | 43.5 | Very low | 48.6 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | 78.2 | 102.8 | 152.7 | -45.7 | 140 | 0 | 0 | 0 | 116.8 | ||||
| 150 | E | 45.7 | Very low | 48.2 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | -153.5 | 142.8 | 124 | -121.6 | -175.3 | 104.9 | 0 | 0 | 110.7 | |||||
| 151 | A | 40.1 | Very low | 47.9 | Very low | 88 Ų | 88 | 141.4 Ų | 141.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -76.7 | 139.2 | -159.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 152 | M | 48.2 | Very low | 47.8 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | trans | -149.8 | 101 | 146.6 | -66.9 | -162.9 | -119.8 | 0 | 0 | 111.7 | ||||
| 153 | H | 50.1 | Low | 47.1 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 38.1 | 116.8 | 152.9 | -78.2 | -102.3 | 0 | 0 | 0 | 122.2 | E155 | H153-E155 IonicContact CE1-OE2 3.86Å; H153-E155 IonicContact ND1-OE2 3.36Å; H153-E155 PolarHBondContact ND1-OE2 3.36Å | ||
| 154 | P | 40.9 | Very low | 46.7 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -105 | 82.2 | 163.2 | 36.3 | -22.8 | 0 | 0 | 0 | 110.3 | ||||
| 155 | E | 45.3 | Very low | 45.8 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -139.9 | 126.3 | 175.9 | -62.9 | -170.1 | 105.3 | 0 | 0 | 110.6 | H153 | H153-E155 IonicContact CE1-OE2 3.86Å; H153-E155 IonicContact ND1-OE2 3.36Å; H153-E155 PolarHBondContact ND1-OE2 3.36Å | ||
| 156 | E | 50.5 | Low | 45.5 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 77.3 | 122.7 | 156.9 | -31.3 | -148.6 | 90.5 | 0 | 0 | 114.9 | ||||
| 157 | L | 48.7 | Very low | 45.1 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | cis | -161.8 | 127.6 | 39.1 | -71.7 | 160.1 | 0 | 0 | 0 | 107 | ||||
| 158 | F | 46.4 | Very low | 44.8 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | 40.7 | 122.3 | 89.9 | -79.4 | -91.9 | 0 | 0 | 0 | 113 | |||||
| 159 | F | 49.6 | Very low | 44.6 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | -166.3 | 132.8 | 65.7 | -90 | -92.9 | 0 | 0 | 0 | 108.9 | |||||
| 160 | D | 44.5 | Very low | 44.8 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | 78 | 100.3 | 85.5 | -135.8 | -101.2 | 0 | 0 | 0 | 112 | |||||
| 161 | H | 41.4 | Very low | 45 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | 77.9 | 135.6 | 93.5 | -153.4 | -112.1 | 0 | 0 | 0 | 113.5 | |||||
| 162 | E | 38.2 | Very low | 45.1 | Very low | 150 Ų | 150 | 147 Ų | 147 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 84.9 | 134 | 150.1 | -114.8 | 176 | 86.9 | 0 | 0 | 121.5 | ||||
| 163 | S | 40 | Very low | 45 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | 72.4 | 106.3 | 139.4 | -79.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 164 | C | 46.1 | Very low | 44.2 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | -179.7 | 119 | 94.7 | -97.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 165 | Q | 42.7 | Very low | 44.4 | Very low | 187 Ų | 187 | 150.9 Ų | 150.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -58.5 | 143.5 | 152.8 | -67.3 | -177.3 | -27 | 0 | 0 | 110.6 | ||||
| 166 | A | 48.2 | Very low | 44.4 | Very low | 88 Ų | 88 | 151.3 Ų | 151.3 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -176.6 | 104.4 | 141.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 167 | Q | 39.1 | Very low | 44 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | 53.2 | 122.9 | 88.5 | -76.3 | -169.3 | -89.3 | 0 | 0 | 114.6 | |||||
| 168 | G | 46.2 | Very low | 43.8 | Very low | 74 Ų | 74 | 150.9 Ų | 150.9 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 158 | 56 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 169 | Q | 42 | Very low | 43.6 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | -4.7 | 122 | 114.8 | -99.9 | -169 | -30.7 | 0 | 0 | 115.4 | |||||
| 170 | T | 47.9 | Very low | 43.2 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 168.9 | 105.7 | 130.5 | 28.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 171 | E | 48.4 | Very low | 43.1 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | 73.8 | 117.7 | 69.9 | -161.9 | 159.4 | 103.4 | 0 | 0 | 113.9 | |||||
| 172 | Q | 43.5 | Very low | 43.2 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | 66.4 | 144.1 | 159.9 | -78.2 | -178 | 14.2 | 0 | 0 | 117.5 | ||||
| 173 | K | 44.7 | Very low | 43.6 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 78% | 0.778 | 82% | 0.823 | S | S | * | * | -172.4 | 136.3 | 51.9 | -167.8 | 154 | 169.9 | -179.7 | 0 | 112.1 | |||||
| 174 | N | 35.1 | Very low | 44 | Very low | 220 Ų | 220 | 154.6 Ų | 154.6 | 100% | 1.176 | 84% | 0.839 | S | S | * | * | trans | -76.4 | 0 | 145.5 | -169.1 | 20 | 0 | 0 | 0 | 107.9 |
Retrieved 174 of 174 residues in 87.6 ms
(Link to these results)