| 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 | 76.1 | Confident | 85.7 | Confident | 208 Ų | 208 | 124.6 Ų | 124.6 | 100% | 1.025 | 63% | 0.625 | S | S | * | * | 0 | -46.4 | 0 | -71.1 | 176.4 | 82.6 | 0 | 0 | 112.4 | L3 K4 V5 | M1-L3 PolarHBondContact O-N 2.83Å; M1-K4 PolarHBondContact O-N 2.77Å; M1-K4 VanDerWaalsContact O-N 3.12Å; M1-V5 PolarHBondContact O-N 3.47Å | |||
| 2 | L | 82.2 | Confident | 85.8 | Confident | 138 Ų | 138 | 120.9 Ų | 120.9 | 72% | 0.723 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -51.5 | -44.6 | -177.9 | -162.1 | 72.1 | 0 | 0 | 0 | 114.9 | K4 V5 I6 | L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 2.89Å; L2-V5 PolarHBondContact O-N 2.84Å; L2-V5 VanDerWaalsContact O-N 3.15Å; L2-I6 HydrophobicContact CG-CD1 4.14Å; L2-I6 WeakPolarHBondContact O-CG1 3.47Å; L2-I6 PolarHBondContact O-N 3.04Å |
| 3 | L | 82.4 | Confident | 85.7 | Confident | 148 Ų | 148 | 115.9 Ų | 115.9 | 78% | 0.775 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.7 | -35.8 | -179.9 | -162.4 | 73.7 | 0 | 0 | 0 | 113.4 | M1 L7 | M1-L3 PolarHBondContact O-N 2.83Å; L3-L7 WeakPolarHBondContact O-CB 3.49Å; L3-L7 PolarHBondContact O-N 2.83Å |
| 4 | K | 86.2 | Confident | 85.5 | Confident | 163 Ų | 163 | 117 Ų | 117 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.7 | -38.5 | 176.4 | -72.8 | -172.7 | 175.5 | -176.4 | 0 | 111.4 | M1 L2 L7 I8 | M1-K4 PolarHBondContact O-N 2.77Å; M1-K4 VanDerWaalsContact O-N 3.12Å; L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 2.89Å; K4-L7 PolarHBondContact O-N 2.82Å; K4-I8 WeakPolarHBondContact O-CD1 3.38Å; K4-I8 VanDerWaalsContact O-CG1 3.26Å; K4-I8 WeakPolarHBondContact O-CG1 3.46Å; K4-I8 PolarHBondContact O-N 2.81Å |
| 5 | V | 87.3 | Confident | 85.4 | Confident | 95 Ų | 95 | 115.7 Ų | 115.7 | 58% | 0.576 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.9 | -45 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | M1 L2 L7 I8 Y9 | M1-V5 PolarHBondContact O-N 3.47Å; L2-V5 PolarHBondContact O-N 2.84Å; L2-V5 VanDerWaalsContact O-N 3.15Å; V5-L7 VanDerWaalsContact C-N 3.34Å; V5-L7 PolarHBondContact O-N 3.45Å; V5-I8 PolarHBondContact O-N 2.83Å; V5-Y9 PolarHBondContact O-N 2.97Å |
| 6 | I | 87.8 | Confident | 85.2 | Confident | 93 Ų | 93 | 115.1 Ų | 115.1 | 48% | 0.477 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.9 | -44.9 | 176.7 | -64.8 | 168.5 | 0 | 0 | 0 | 110.5 | L2 I8 Y9 V10 | L2-I6 HydrophobicContact CG-CD1 4.14Å; L2-I6 WeakPolarHBondContact O-CG1 3.47Å; L2-I6 PolarHBondContact O-N 3.04Å; I6-I8 PolarHBondContact O-N 3.08Å; I6-Y9 PolarHBondContact O-N 3.05Å; I6-V10 HydrophobicContact CG2-CG2 4.41Å; I6-V10 WeakPolarHBondContact O-CG2 3.39Å; I6-V10 PolarHBondContact O-N 2.71Å |
| 7 | L | 88 | Confident | 84.5 | Confident | 110 Ų | 110 | 117.8 Ų | 117.8 | 58% | 0.576 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.6 | -42.8 | 179 | -167.7 | 73.1 | 0 | 0 | 0 | 112.1 | L3 K4 V5 V10 I11 | L3-L7 WeakPolarHBondContact O-CB 3.49Å; L3-L7 PolarHBondContact O-N 2.83Å; K4-L7 PolarHBondContact O-N 2.82Å; V5-L7 VanDerWaalsContact C-N 3.34Å; V5-L7 PolarHBondContact O-N 3.45Å; L7-V10 PolarHBondContact O-N 3.11Å; L7-I11 HydrophobicContact CG-CD1 4.11Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.35Å; L7-I11 PolarHBondContact O-N 2.97Å |
| 8 | I | 88.9 | Confident | 84.2 | Confident | 100 Ų | 100 | 121.6 Ų | 121.6 | 51% | 0.513 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.8 | -45.3 | 176.7 | -69.7 | 165.1 | 0 | 0 | 0 | 110.8 | K4 V5 I6 I11 I12 | K4-I8 WeakPolarHBondContact O-CD1 3.38Å; K4-I8 VanDerWaalsContact O-CG1 3.26Å; K4-I8 WeakPolarHBondContact O-CG1 3.46Å; K4-I8 PolarHBondContact O-N 2.81Å; V5-I8 PolarHBondContact O-N 2.83Å; I6-I8 PolarHBondContact O-N 3.08Å; I8-I11 PolarHBondContact O-N 2.78Å; I8-I12 HydrophobicContact CG2-CD1 3.74Å; I8-I12 HydrophobicContact CG2-CG1 4.42Å; I8-I12 VanDerWaalsContact O-CG1 3.29Å; I8-I12 WeakPolarHBondContact O-CG1 3.5Å; I8-I12 PolarHBondContact O-N 2.88Å |
| 9 | Y | 86.8 | Confident | 83.9 | Confident | 153 Ų | 153 | 122.5 Ų | 122.5 | 60% | 0.6 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.8 | -42.9 | -180 | -172.8 | -106 | 0 | 0 | 0 | 112.5 | V5 I6 I11 I12 I13 | V5-Y9 PolarHBondContact O-N 2.97Å; I6-Y9 PolarHBondContact O-N 3.05Å; Y9-I11 PolarHBondContact O-N 2.72Å; Y9-I12 PolarHBondContact O-N 2.93Å; Y9-I13 HydrophobicContact CD1-CD1 3.72Å; Y9-I13 HydrophobicContact CD1-CG1 4.44Å; Y9-I13 HydrophobicContact CE1-CD1 3.19Å; Y9-I13 HydrophobicContact CE1-CG1 4.15Å; Y9-I13 HydrophobicContact CE2-CD1 4.46Å; Y9-I13 WeakPolarHBondContact O-CG1 3.4Å; Y9-I13 PolarHBondContact O-N 3.02Å |
| 10 | V | 88.5 | Confident | 83.5 | Confident | 75 Ų | 75 | 118.4 Ų | 118.4 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.7 | -42.1 | 175.7 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | I6 L7 I13 M14 | I6-V10 HydrophobicContact CG2-CG2 4.41Å; I6-V10 WeakPolarHBondContact O-CG2 3.39Å; I6-V10 PolarHBondContact O-N 2.71Å; L7-V10 PolarHBondContact O-N 3.11Å; V10-I13 PolarHBondContact O-N 3.5Å; V10-M14 HydrophobicContact CG1-CG 4.39Å; V10-M14 VanDerWaalsContact O-CG 3.24Å; V10-M14 WeakPolarHBondContact O-CG 3.43Å; V10-M14 PolarHBondContact O-N 3.4Å |
| 11 | I | 88.8 | Confident | 83.3 | Confident | 88 Ų | 88 | 118.2 Ų | 118.2 | 45% | 0.451 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.7 | -44.9 | 175.7 | -69.1 | 167.3 | 0 | 0 | 0 | 110.7 | L7 I8 Y9 I13 M14 L15 | L7-I11 HydrophobicContact CG-CD1 4.11Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.35Å; L7-I11 PolarHBondContact O-N 2.97Å; I8-I11 PolarHBondContact O-N 2.78Å; Y9-I11 PolarHBondContact O-N 2.72Å; I11-I13 PolarHBondContact O-N 2.83Å; I11-M14 PolarHBondContact O-N 3.23Å; I11-L15 HydrophobicContact CG2-CD1 3.93Å; I11-L15 HydrophobicContact CG2-CG 4.34Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 3.4Å |
| 12 | I | 87.1 | Confident | 83.5 | Confident | 80 Ų | 80 | 112.1 Ų | 112.1 | 41% | 0.41 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.9 | -47.4 | 177.8 | -69.6 | 166.7 | 0 | 0 | 0 | 110.8 | I8 Y9 M14 L15 I16 | I8-I12 HydrophobicContact CG2-CD1 3.74Å; I8-I12 HydrophobicContact CG2-CG1 4.42Å; I8-I12 VanDerWaalsContact O-CG1 3.29Å; I8-I12 WeakPolarHBondContact O-CG1 3.5Å; I8-I12 PolarHBondContact O-N 2.88Å; Y9-I12 PolarHBondContact O-N 2.93Å; I12-M14 PolarHBondContact O-N 2.89Å; I12-L15 PolarHBondContact O-N 2.93Å; I12-I16 HydrophobicContact CG2-CD1 3.75Å; I12-I16 HydrophobicContact CG2-CG1 4.43Å; I12-I16 WeakPolarHBondContact O-CG1 3.33Å; I12-I16 PolarHBondContact O-N 2.8Å |
| 13 | I | 84.4 | Confident | 83.5 | Confident | 56 Ų | 56 | 110.4 Ų | 110.4 | 29% | 0.287 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.5 | -47.8 | 176.9 | -74.5 | 179.9 | 0 | 0 | 0 | 111 | Y9 V10 I11 L15 I16 Y17 | Y9-I13 HydrophobicContact CD1-CD1 3.72Å; Y9-I13 HydrophobicContact CD1-CG1 4.44Å; Y9-I13 HydrophobicContact CE1-CD1 3.19Å; Y9-I13 HydrophobicContact CE1-CG1 4.15Å; Y9-I13 HydrophobicContact CE2-CD1 4.46Å; Y9-I13 WeakPolarHBondContact O-CG1 3.4Å; Y9-I13 PolarHBondContact O-N 3.02Å; V10-I13 PolarHBondContact O-N 3.5Å; I11-I13 PolarHBondContact O-N 2.83Å; I13-L15 VanDerWaalsContact C-N 3.29Å; I13-L15 PolarHBondContact O-N 3.38Å; I13-I16 PolarHBondContact O-N 2.87Å; I13-Y17 HydrophobicContact CG2-CD2 3.49Å; I13-Y17 VanDerWaalsContact CG2-CD2 3.49Å; I13-Y17 HydrophobicContact CG2-CE2 3.53Å; I13-Y17 VanDerWaalsContact O-CD2 3.32Å; I13-Y17 WeakPolarHBondContact O-CD2 3.33Å; I13-Y17 PolarHBondContact O-N 3.39Å |
| 14 | M | 82.7 | Confident | 83.7 | Confident | 131 Ų | 131 | 107.1 Ų | 107.1 | 65% | 0.645 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.3 | -36.7 | 179.9 | -69.2 | -70.1 | -106.1 | 0 | 0 | 112.2 | V10 I11 I12 R18 | V10-M14 HydrophobicContact CG1-CG 4.39Å; V10-M14 VanDerWaalsContact O-CG 3.24Å; V10-M14 WeakPolarHBondContact O-CG 3.43Å; V10-M14 PolarHBondContact O-N 3.4Å; I11-M14 PolarHBondContact O-N 3.23Å; I12-M14 PolarHBondContact O-N 2.89Å; M14-R18 VanDerWaalsContact O-CB 3.23Å; M14-R18 WeakPolarHBondContact O-CB 3.07Å; M14-R18 PolarHBondContact O-N 3.46Å |
| 15 | L | 83.6 | Confident | 83.8 | Confident | 98 Ų | 98 | 106.3 Ų | 106.3 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 174.4 | -70.1 | 172.8 | 0 | 0 | 0 | 111.6 | I11 I12 I13 R18 E19 | I11-L15 HydrophobicContact CG2-CD1 3.93Å; I11-L15 HydrophobicContact CG2-CG 4.34Å; I11-L15 VanDerWaalsContact O-CG 3.29Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 3.4Å; I12-L15 PolarHBondContact O-N 2.93Å; I13-L15 VanDerWaalsContact C-N 3.29Å; I13-L15 PolarHBondContact O-N 3.38Å; L15-R18 PolarHBondContact O-N 3.34Å; L15-E19 WeakPolarHBondContact O-CB 3.28Å; L15-E19 PolarHBondContact O-N 2.03Å |
| 16 | I | 82.6 | Confident | 83.8 | Confident | 105 Ų | 105 | 103.5 Ų | 103.5 | 54% | 0.538 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 176.6 | -66.8 | 165.9 | 0 | 0 | 0 | 110.9 | I12 I13 R18 E19 G20 | I12-I16 HydrophobicContact CG2-CD1 3.75Å; I12-I16 HydrophobicContact CG2-CG1 4.43Å; I12-I16 WeakPolarHBondContact O-CG1 3.33Å; I12-I16 PolarHBondContact O-N 2.8Å; I13-I16 PolarHBondContact O-N 2.87Å; I16-R18 VanDerWaalsContact C-N 3.32Å; I16-R18 PolarHBondContact O-N 2.96Å; I16-E19 PolarHBondContact O-N 3.49Å; I16-G20 PolarHBondContact O-N 3.22Å |
| 17 | Y | 73.1 | Confident | 83.8 | Confident | 161 Ų | 161 | 102 Ų | 102 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -41.3 | 176.7 | -88.4 | -74.2 | 0 | 0 | 0 | 111.9 | I13 N21 | I13-Y17 HydrophobicContact CG2-CD2 3.49Å; I13-Y17 VanDerWaalsContact CG2-CD2 3.49Å; I13-Y17 HydrophobicContact CG2-CE2 3.53Å; I13-Y17 VanDerWaalsContact O-CD2 3.32Å; I13-Y17 WeakPolarHBondContact O-CD2 3.33Å; I13-Y17 PolarHBondContact O-N 3.39Å; Y17-N21 WeakPolarHBondContact O-CB 3.23Å; Y17-N21 PolarHBondContact O-N 3.48Å |
| 18 | R | 79.3 | Confident | 83.9 | Confident | 187 Ų | 187 | 103 Ų | 103 | 71% | 0.706 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -45.9 | 176.5 | -176.1 | 176.6 | -178.5 | 166.1 | 1.4 | 111.2 | M14 L15 I16 N21 T22 | M14-R18 VanDerWaalsContact O-CB 3.23Å; M14-R18 WeakPolarHBondContact O-CB 3.07Å; M14-R18 PolarHBondContact O-N 3.46Å; L15-R18 PolarHBondContact O-N 3.34Å; I16-R18 VanDerWaalsContact C-N 3.32Å; I16-R18 PolarHBondContact O-N 2.96Å; R18-N21 PolarHBondContact O-N 2.9Å; R18-T22 PolarHBondContact O-N 3.19Å; R18-T22 PolarHBondContact O-OG1 3Å |
| 19 | E | 78 | Confident | 84.1 | Confident | 139 Ų | 139 | 100.3 Ų | 100.3 | 65% | 0.65 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.1 | -43.8 | -179.8 | -167.8 | 163.7 | -161.8 | 0 | 0 | 111.8 | L15 I16 T22 L23 | L15-E19 WeakPolarHBondContact O-CB 3.28Å; L15-E19 PolarHBondContact O-N 2.03Å; I16-E19 PolarHBondContact O-N 3.49Å; E19-T22 VanDerWaalsContact C-OG1 3.27Å; E19-T22 WeakPolarHBondContact CA-OG1 3.22Å; E19-T22 PolarHBondContact O-N 3.19Å; E19-T22 PolarHBondContact O-OG1 3.08Å; E19-L23 PolarHBondContact O-N 2.9Å |
| 20 | G | 76.9 | Confident | 84.4 | Confident | 40 Ų | 40 | 93 Ų | 93 | 41% | 0.412 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I16 T22 L23 D24 | I16-G20 PolarHBondContact O-N 3.22Å; G20-T22 VanDerWaalsContact C-N 3.33Å; G20-T22 PolarHBondContact O-N 2.05Å; G20-L23 PolarHBondContact O-N 2.97Å; G20-D24 PolarHBondContact O-N 3.48Å |
| 21 | N | 79.4 | Confident | 84.4 | Confident | 114 Ų | 114 | 91.9 Ų | 91.9 | 61% | 0.61 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.3 | -38.1 | 175 | -78.2 | -10.4 | 0 | 0 | 0 | 112.1 | Y17 R18 Y25 | Y17-N21 WeakPolarHBondContact O-CB 3.23Å; Y17-N21 PolarHBondContact O-N 3.48Å; R18-N21 PolarHBondContact O-N 2.9Å; N21-Y25 VanDerWaalsContact O-CB 3.3Å; N21-Y25 WeakPolarHBondContact O-CB 3.39Å; N21-Y25 PolarHBondContact O-N 2.75Å |
| 22 | T | 80.3 | Confident | 84.5 | Confident | 80 Ų | 80 | 92 Ų | 92 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 175.1 | 35.8 | 0 | 0 | 0 | 0 | 113 | R18 E19 G20 L26 | R18-T22 PolarHBondContact O-N 3.19Å; R18-T22 PolarHBondContact O-OG1 3Å; E19-T22 VanDerWaalsContact C-OG1 3.27Å; E19-T22 WeakPolarHBondContact CA-OG1 3.22Å; E19-T22 PolarHBondContact O-N 3.19Å; E19-T22 PolarHBondContact O-OG1 3.08Å; G20-T22 VanDerWaalsContact C-N 3.33Å; G20-T22 PolarHBondContact O-N 2.05Å; T22-L26 VanDerWaalsContact O-CB 3.27Å; T22-L26 WeakPolarHBondContact O-CB 2.98Å; T22-L26 PolarHBondContact O-N 2.81Å |
| 23 | L | 82.2 | Confident | 84.9 | Confident | 103 Ų | 103 | 93.7 Ų | 93.7 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.5 | -42 | 179 | -174.2 | 64.3 | 0 | 0 | 0 | 111.8 | E19 G20 L26 S27 L72 | E19-L23 PolarHBondContact O-N 2.9Å; G20-L23 PolarHBondContact O-N 2.97Å; L23-L26 PolarHBondContact O-N 2.87Å; L23-S27 VanDerWaalsContact O-CB 3.28Å; L23-S27 WeakPolarHBondContact O-CB 3.38Å; L23-S27 PolarHBondContact O-N 3.39Å; L23-L72 HydrophobicContact CD1-CD2 4.42Å |
| 24 | D | 85.7 | Confident | 85.4 | Confident | 78 Ų | 78 | 91.5 Ų | 91.5 | 42% | 0.417 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 174.4 | 178.6 | 59.7 | 0 | 0 | 0 | 111.4 | G20 S27 K28 | G20-D24 PolarHBondContact O-N 3.48Å; D24-S27 PolarHBondContact O-N 3.27Å; D24-K28 WeakPolarHBondContact O-CG 3.04Å; D24-K28 PolarHBondContact O-N 3.33Å; D24-K28 VanDerWaalsContact OD1-CE 3.29Å; D24-K28 WeakPolarHBondContact OD1-CE 3.47Å; D24-K28 IonicContact OD1-NZ 3.5Å; D24-K28 PolarHBondContact OD1-NZ 3.48Å; D24-K28 WeakPolarHBondContact OD2-CE 3.26Å; D24-K28 IonicContact OD2-NZ 3.45Å; D24-K28 PolarHBondContact OD2-NZ 3.19Å |
| 25 | Y | 88 | Confident | 86 | Confident | 147 Ų | 147 | 91.5 Ų | 91.5 | 58% | 0.576 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.3 | -50.4 | 174.9 | 177.8 | -97.8 | 0 | 0 | 0 | 111.8 | N21 S27 K28 E29 | N21-Y25 VanDerWaalsContact O-CB 3.3Å; N21-Y25 WeakPolarHBondContact O-CB 3.39Å; N21-Y25 PolarHBondContact O-N 2.75Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 3.06Å; Y25-K28 PolarHBondContact O-N 3.41Å; Y25-E29 WeakPolarHBondContact CE1-OE2 3.14Å; Y25-E29 WeakPolarHBondContact O-CB 3.46Å; Y25-E29 PolarHBondContact O-N 3.12Å |
| 26 | L | 87.3 | Confident | 86.6 | Confident | 36 Ų | 36 | 90.7 Ų | 90.7 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 179 | -180 | 66.7 | 0 | 0 | 0 | 111.6 | T22 L23 E29 C30 L68 | T22-L26 VanDerWaalsContact O-CB 3.27Å; T22-L26 WeakPolarHBondContact O-CB 2.98Å; T22-L26 PolarHBondContact O-N 2.81Å; L23-L26 PolarHBondContact O-N 2.87Å; L26-E29 PolarHBondContact O-N 3.06Å; L26-C30 VanDerWaalsContact CD1-SG 3.56Å; L26-C30 VanDerWaalsContact O-CB 3.3Å; L26-C30 WeakPolarHBondContact O-CB 3.47Å; L26-C30 PolarHBondContact O-N 3.15Å; L26-C30 PolarHBondContact O-SG 3.32Å; L26-L68 HydrophobicContact CD1-CB 3.87Å; L26-L68 HydrophobicContact CD1-CD1 4.29Å; L26-L68 HydrophobicContact CD2-CB 4.01Å |
| 27 | S | 88.1 | Confident | 87.2 | Confident | 60 Ų | 60 | 86.1 Ų | 86.1 | 42% | 0.42 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 179 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | L23 D24 Y25 G31 | L23-S27 VanDerWaalsContact O-CB 3.28Å; L23-S27 WeakPolarHBondContact O-CB 3.38Å; L23-S27 PolarHBondContact O-N 3.39Å; D24-S27 PolarHBondContact O-N 3.27Å; Y25-S27 VanDerWaalsContact C-N 3.34Å; Y25-S27 PolarHBondContact O-N 3.06Å; S27-G31 PolarHBondContact O-N 3.15Å |
| 28 | K | 90.7 | Very high | 88.1 | Confident | 131 Ų | 131 | 79.9 Ų | 79.9 | 57% | 0.57 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 175.9 | -74.6 | 170.7 | 179 | 162.7 | 0 | 112 | D24 Y25 S32 | D24-K28 WeakPolarHBondContact O-CG 3.04Å; D24-K28 PolarHBondContact O-N 3.33Å; D24-K28 VanDerWaalsContact OD1-CE 3.29Å; D24-K28 WeakPolarHBondContact OD1-CE 3.47Å; D24-K28 IonicContact OD1-NZ 3.5Å; D24-K28 PolarHBondContact OD1-NZ 3.48Å; D24-K28 WeakPolarHBondContact OD2-CE 3.26Å; D24-K28 IonicContact OD2-NZ 3.45Å; D24-K28 PolarHBondContact OD2-NZ 3.19Å; Y25-K28 PolarHBondContact O-N 3.41Å; K28-S32 PolarHBondContact O-N 2.03Å; K28-S32 PolarHBondContact O-OG 3.28Å |
| 29 | E | 91.8 | Very high | 88.9 | Confident | 44 Ų | 44 | 71.9 Ų | 71.9 | 21% | 0.206 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.1 | -47.5 | -179.6 | -169 | 168 | -151.3 | 0 | 0 | 111.8 | Y25 L26 G31 S32 K33 I59 | Y25-E29 WeakPolarHBondContact CE1-OE2 3.14Å; Y25-E29 WeakPolarHBondContact O-CB 3.46Å; Y25-E29 PolarHBondContact O-N 3.12Å; L26-E29 PolarHBondContact O-N 3.06Å; E29-G31 PolarHBondContact O-N 3.11Å; E29-S32 PolarHBondContact O-N 2.82Å; E29-S32 PolarHBondContact O-OG 3.47Å; E29-K33 HydrophobicContact CG-CD 3.99Å; E29-K33 WeakPolarHBondContact O-CB 3.43Å; E29-K33 PolarHBondContact O-N 3.06Å; E29-K33 IonicContact OE1-NZ 3.11Å; E29-K33 PolarHBondContact OE1-NZ 3.49Å; E29-I59 HydrophobicContact CG-CD1 3.82Å |
| 30 | C | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 174.7 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | L26 S32 S34 C69 L72 | L26-C30 VanDerWaalsContact CD1-SG 3.56Å; L26-C30 VanDerWaalsContact O-CB 3.3Å; L26-C30 WeakPolarHBondContact O-CB 3.47Å; L26-C30 PolarHBondContact O-N 3.15Å; L26-C30 PolarHBondContact O-SG 3.32Å; C30-S32 VanDerWaalsContact C-N 3.26Å; C30-S32 PolarHBondContact O-N 3.05Å; C30-S34 WeakPolarHBondContact O-CB 3.43Å; C30-S34 PolarHBondContact O-N 3.15Å; C30-S34 PolarHBondContact O-OG 3.33Å; C30-C69 HydrophobicContact CB-CB 3.76Å; C30-C69 WeakPolarHBondContact CB-SG 3.43Å; C30-C69 WeakPolarHBondContact SG-CA 3.35Å; C30-C69 WeakPolarHBondContact SG-CB 3.02Å; C30-C69 CovalentContact SG-SG 2.04Å; C30-C69 PolarHBondContact SG-SG 3Å; C30-L72 HydrophobicContact CB-CD1 3.48Å; C30-L72 VanDerWaalsContact CB-CD1 3.48Å |
| 31 | G | 89.4 | Confident | 90.7 | Very high | 51 Ų | 51 | 63.8 Ų | 63.8 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.9 | -36.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S27 E29 | S27-G31 PolarHBondContact O-N 3.15Å; E29-G31 PolarHBondContact O-N 3.11Å |
| 32 | S | 90.7 | Very high | 91.5 | Very high | 91 Ų | 91 | 60.2 Ų | 60.2 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -92.1 | -32.5 | -176.5 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | K28 E29 C30 | K28-S32 PolarHBondContact O-N 2.03Å; K28-S32 PolarHBondContact O-OG 3.28Å; E29-S32 PolarHBondContact O-N 2.82Å; E29-S32 PolarHBondContact O-OG 3.47Å; C30-S32 VanDerWaalsContact C-N 3.26Å; C30-S32 PolarHBondContact O-N 3.05Å |
| 33 | K | 94.3 | Very high | 92.2 | Very high | 115 Ų | 115 | 56.5 Ų | 56.5 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -114.6 | -7.1 | -171.4 | -59.6 | -178.4 | -169.8 | 168.5 | 0 | 114.8 | E29 I59 | E29-K33 HydrophobicContact CG-CD 3.99Å; E29-K33 WeakPolarHBondContact O-CB 3.43Å; E29-K33 PolarHBondContact O-N 3.06Å; E29-K33 IonicContact OE1-NZ 3.11Å; E29-K33 PolarHBondContact OE1-NZ 3.49Å; K33-I59 HydrophobicContact CB-CG1 4.17Å; K33-I59 HydrophobicContact CB-CG2 4.47Å |
| 34 | S | 95.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 58 Ų | 58 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 142.7 | -178.1 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | C30 K57 C58 H75 | C30-S34 WeakPolarHBondContact O-CB 3.43Å; C30-S34 PolarHBondContact O-N 3.15Å; C30-S34 PolarHBondContact O-OG 3.33Å; S34-K57 WeakPolarHBondContact O-CE 3.32Å; S34-K57 WeakPolarHBondContact OG-CD 3.24Å; S34-K57 VanDerWaalsContact OG-CE 3.24Å; S34-K57 WeakPolarHBondContact OG-CE 3.1Å; S34-K57 WeakPolarHBondContact OG-CG 3.46Å; S34-C58 WeakPolarHBondContact CA-O 3.38Å; S34-H75 PolarHBondContact OG-NE2 3.48Å |
| 35 | E | 96.2 | Very high | 92.6 | Very high | 131 Ų | 131 | 56.3 Ų | 56.3 | 61% | 0.612 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 157.6 | 175.7 | -64.3 | -177.4 | 169.9 | 0 | 0 | 109.6 | K57 C58 | E35-K57 CarbonylContact O-C 3.5Å; E35-K57 VanDerWaalsContact O-CA 3.3Å; E35-K57 WeakPolarHBondContact O-CA 3.33Å; E35-K57 WeakPolarHBondContact O-CG 3.32Å; E35-C58 PolarHBondContact N-O 3.3Å; E35-C58 PolarHBondContact O-N 2.94Å |
| 36 | W | 96.6 | Very high | 92.6 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 31% | 0.311 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.7 | 177 | -78.3 | 108.8 | 0 | 0 | 0 | 110.6 | R55 K57 Q77 | W36-R55 HydrophobicContact CE3-CG 3.74Å; W36-R55 HydrophobicContact CZ3-CG 3.98Å; W36-K57 HydrophobicContact CD2-CB 4Å; W36-K57 HydrophobicContact CD2-CG 4.07Å; W36-K57 HydrophobicContact CE3-CB 3.86Å; W36-K57 HydrophobicContact CE3-CG 4.42Å; W36-K57 HydrophobicContact CG-CG 4.3Å; W36-K57 HydrophobicContact CH2-CB 4.05Å; W36-K57 HydrophobicContact CZ2-CB 4.2Å; W36-K57 HydrophobicContact CZ2-CD 4.34Å; W36-K57 HydrophobicContact CZ3-CB 3.9Å; W36-Q77 HydrophobicContact CH2-CB 3.94Å; W36-Q77 HydrophobicContact CH2-CG 3.42Å; W36-Q77 VanDerWaalsContact CH2-CG 3.42Å; W36-Q77 VanDerWaalsContact CZ2-CD 3.46Å; W36-Q77 HydrophobicContact CZ2-CG 3.87Å; W36-Q77 VanDerWaalsContact CZ2-NE2 3.33Å; W36-Q77 HydrophobicContact CZ3-CB 3.95Å; W36-Q77 HydrophobicContact CZ3-CG 3.95Å |
| 37 | G | 93.9 | Very high | 92.9 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | trans | -77.2 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y56 G61 | G37-Y56 PolarHBondContact N-O 3.48Å; G37-G61 WeakPolarHBondContact CA-O 3.27Å; G37-G61 PolarHBondContact N-O 2.9Å | ||
| 38 | P | 93.3 | Very high | 93.3 | Very high | 30 Ų | 30 | 56.1 Ų | 56.1 | 20% | 0.195 | 31% | 0.306 | C | S | . | . | trans | -62 | 160.5 | 170.6 | -9.6 | 22 | 0 | 0 | 0 | 111.5 | R55 E91 | P38-R55 WeakPolarHBondContact O-CB 3.19Å; P38-E91 HydrophobicContact CB-CB 3.49Å; P38-E91 VanDerWaalsContact CB-CB 3.49Å; P38-E91 HydrophobicContact CB-CG 4.42Å; P38-E91 HydrophobicContact CG-CB 4.03Å; P38-E91 HydrophobicContact CG-CG 4.45Å | ||
| 39 | W | 95.5 | Very high | 93.6 | Very high | 20 Ų | 20 | 55 Ų | 55 | 8% | 0.076 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 132.4 | 170.7 | -72.6 | 96.8 | 0 | 0 | 0 | 111.6 | A53 R55 Q77 D79 V84 E89 C90 E91 | W39-A53 HydrophobicContact CE3-CB 4.05Å; W39-A53 WeakPolarHBondContact CZ3-O 3.29Å; W39-R55 HydrophobicContact CD2-CB 4.01Å; W39-R55 HydrophobicContact CD2-CG 3.92Å; W39-R55 HydrophobicContact CE3-CB 4.04Å; W39-R55 HydrophobicContact CE3-CG 3.99Å; W39-R55 HydrophobicContact CG-CB 4.32Å; W39-R55 HydrophobicContact CH2-CG 4.1Å; W39-R55 HydrophobicContact CZ2-CG 4.04Å; W39-R55 HydrophobicContact CZ3-CG 4.07Å; W39-Q77 HydrophobicContact CH2-CB 4.15Å; W39-Q77 WeakPolarHBondContact CZ3-O 3.03Å; W39-D79 HydrophobicContact CH2-CB 3.58Å; W39-D79 HydrophobicContact CZ2-CB 4.22Å; W39-D79 HydrophobicContact CZ3-CB 3.87Å; W39-V84 HydrophobicContact CB-CG1 3.4Å; W39-V84 VanDerWaalsContact CB-CG1 3.4Å; W39-V84 HydrophobicContact CD2-CG1 3.91Å; W39-V84 HydrophobicContact CD2-CG2 4.26Å; W39-V84 HydrophobicContact CE3-CG1 4.45Å; W39-V84 HydrophobicContact CE3-CG2 4.33Å; W39-V84 HydrophobicContact CG-CG1 3.45Å; W39-V84 VanDerWaalsContact CG-CG1 3.45Å; W39-E89 PolarHBondContact N-O 2.54Å; W39-E89 PolarHBondContact NE1-OE2 3.46Å; W39-C90 WeakPolarHBondContact O-CA 3.38Å; W39-E91 PolarHBondContact O-N 3.44Å |
| 40 | R | 96 | Very high | 93.9 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -96.7 | 110.6 | 172.7 | -50.2 | -51.5 | -179.3 | -157.3 | -4.2 | 108.3 | P42 A53 T54 Y56 N62 C63 T64 E91 W93 | R40-P42 WeakPolarHBondContact O-CD 3.11Å; R40-A53 CarbonylContact O-C 3.56Å; R40-A53 WeakPolarHBondContact O-CA 3.44Å; R40-A53 WeakPolarHBondContact O-CB 3.27Å; R40-T54 WeakPolarHBondContact CA-O 3.29Å; R40-T54 WeakPolarHBondContact CB-O 3.1Å; R40-T54 WeakPolarHBondContact CG-O 3.35Å; R40-T54 PolarHBondContact N-O 2.95Å; R40-T54 PolarHBondContact O-N 3.49Å; R40-Y56 HydrophobicContact CG-CE2 4.37Å; R40-N62 PolarHBondContact NH2-OD1 3.45Å; R40-C63 PolarHBondContact NE-O 3.28Å; R40-C63 PolarHBondContact NH2-O 2.96Å; R40-T64 HydrophobicContact CG-CG2 4.48Å; R40-E91 PolarHBondContact NH1-O 2.68Å; R40-W93 HydrophobicContact CB-CD2 4.15Å; R40-W93 HydrophobicContact CB-CE3 3.78Å; R40-W93 HydrophobicContact CB-CH2 3.86Å; R40-W93 HydrophobicContact CB-CZ2 4.23Å; R40-W93 HydrophobicContact CB-CZ3 3.63Å; R40-W93 HydrophobicContact CG-CD2 4.22Å; R40-W93 HydrophobicContact CG-CE3 4.16Å; R40-W93 HydrophobicContact CG-CZ3 4.5Å |
| 41 | C | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -104.9 | 102.5 | 179.6 | -58.9 | 0 | 0 | 0 | 0 | 108.4 | G43 A53 C90 G120 A121 | C41-G43 PolarHBondContact O-N 3.23Å; C41-G43 VanDerWaalsContact O-N 3.15Å; C41-A53 HydrophobicContact CB-CB 4.35Å; C41-A53 VanDerWaalsContact SG-CB 3.59Å; C41-C90 HydrophobicContact CB-CB 3.62Å; C41-C90 WeakPolarHBondContact CB-SG 3.49Å; C41-C90 WeakPolarHBondContact SG-CB 3.41Å; C41-C90 CovalentContact SG-SG 2.01Å; C41-C90 PolarHBondContact SG-SG 3.47Å; C41-G120 CarbonylContact O-C 3.48Å; C41-G120 VanDerWaalsContact O-CA 3.27Å; C41-G120 WeakPolarHBondContact O-CA 3.34Å; C41-A121 HydrophobicContact CB-CB 4.27Å; C41-A121 PolarHBondContact O-N 3.02Å | ||
| 42 | P | 96.7 | Very high | 94.5 | Very high | 39 Ų | 39 | 63.6 Ų | 63.6 | 25% | 0.253 | 35% | 0.35 | S | S | . | . | trans | -58.7 | 121.9 | 179.7 | -20.9 | 33.1 | 0 | 0 | 0 | 109.5 | R40 C48 T49 A50 I52 | R40-P42 WeakPolarHBondContact O-CD 3.11Å; P42-C48 CarbonylContact O-C 3.6Å; P42-C48 VanDerWaalsContact O-CA 3.27Å; P42-C48 WeakPolarHBondContact O-CA 3Å; P42-T49 VanDerWaalsContact C-OG1 3.31Å; P42-T49 PolarHBondContact O-N 2.91Å; P42-T49 PolarHBondContact O-OG1 2.81Å; P42-A50 HydrophobicContact CB-CB 3.74Å; P42-A50 HydrophobicContact CG-CB 3.9Å; P42-I52 VanDerWaalsContact CD-O 3.28Å; P42-I52 WeakPolarHBondContact CD-O 3.48Å | ||
| 43 | G | 94.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -178.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | C41 K47 T49 G120 A121 | C41-G43 PolarHBondContact O-N 3.23Å; C41-G43 VanDerWaalsContact O-N 3.15Å; G43-K47 CarbonylContact C-O 3.59Å; G43-K47 WeakPolarHBondContact CA-O 3.31Å; G43-T49 WeakPolarHBondContact CA-OG1 3.26Å; G43-T49 PolarHBondContact N-OG1 3.01Å; G43-G120 CarbonylContact O-C 3.46Å; G43-G120 WeakPolarHBondContact O-CA 3.04Å; G43-G120 PolarHBondContact O-N 3.08Å; G43-A121 PolarHBondContact O-N 3.05Å |
| 44 | I | 88.2 | Confident | 95 | Very high | 135 Ų | 135 | 54.9 Ų | 54.9 | 69% | 0.692 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 133.4 | -179.5 | -58.5 | 175.4 | 0 | 0 | 0 | 108.2 | T46 K47 | I44-T46 PolarHBondContact O-N 3.5Å; I44-K47 PolarHBondContact N-O 2.94Å; I44-K47 PolarHBondContact O-N 2.82Å |
| 45 | G | 87.3 | Confident | 95.2 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | -127.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A121 L122 | G45-A121 CarbonylContact O-C 3.57Å; G45-A121 VanDerWaalsContact O-CA 3.23Å; G45-A121 WeakPolarHBondContact O-CA 3.46Å; G45-L122 PolarHBondContact O-N 3.2Å |
| 46 | T | 89.1 | Confident | 95.2 | Very high | 51 Ų | 51 | 52.9 Ų | 52.9 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 17.9 | -179.7 | 45.9 | 0 | 0 | 0 | 0 | 114.2 | I44 L85 L122 Y124 | I44-T46 PolarHBondContact O-N 3.5Å; T46-L85 WeakPolarHBondContact O-CD2 3.39Å; T46-L122 WeakPolarHBondContact CA-O 3.41Å; T46-L122 WeakPolarHBondContact CG2-O 3.06Å; T46-Y124 HydrophobicContact CG2-CD1 3.28Å; T46-Y124 HydrophobicContact CG2-CE1 3.08Å; T46-Y124 HydrophobicContact CG2-CG 4.3Å |
| 47 | K | 93.7 | Very high | 95.2 | Very high | 154 Ų | 154 | 51.3 Ų | 51.3 | 67% | 0.67 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.4 | -173.9 | -64.7 | -174.7 | -179 | -178.1 | 0 | 111.7 | G43 I44 | G43-K47 CarbonylContact C-O 3.59Å; G43-K47 WeakPolarHBondContact CA-O 3.31Å; I44-K47 PolarHBondContact N-O 2.94Å; I44-K47 PolarHBondContact O-N 2.82Å |
| 48 | C | 96.7 | Very high | 95.3 | Very high | 33 Ų | 33 | 51 Ų | 51 | 22% | 0.223 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 135.1 | 165.6 | -72.6 | 0 | 0 | 0 | 0 | 110.5 | P42 A50 C81 V82 | P42-C48 CarbonylContact O-C 3.6Å; P42-C48 VanDerWaalsContact O-CA 3.27Å; P42-C48 WeakPolarHBondContact O-CA 3Å; C48-A50 WeakPolarHBondContact CB-O 3.25Å; C48-C81 HydrophobicContact CB-CB 3.84Å; C48-C81 WeakPolarHBondContact CB-SG 3.48Å; C48-C81 WeakPolarHBondContact SG-CB 3.45Å; C48-C81 PolarHBondContact SG-O 3.05Å; C48-C81 VanDerWaalsContact SG-O 3.38Å; C48-C81 CovalentContact SG-SG 2.04Å; C48-C81 PolarHBondContact SG-SG 3.14Å; C48-V82 HydrophobicContact CB-CG2 4.45Å |
| 49 | T | 97 | Very high | 95.3 | Very high | 107 Ų | 107 | 53.6 Ų | 53.6 | 66% | 0.656 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -101.9 | -6.4 | 169.5 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | P42 G43 | P42-T49 VanDerWaalsContact C-OG1 3.31Å; P42-T49 PolarHBondContact O-N 2.91Å; P42-T49 PolarHBondContact O-OG1 2.81Å; G43-T49 WeakPolarHBondContact CA-OG1 3.26Å; G43-T49 PolarHBondContact N-OG1 3.01Å |
| 50 | A | 97.1 | Very high | 94.9 | Very high | 38 Ų | 38 | 55.6 Ų | 55.6 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -131.6 | 158.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P42 C48 I52 C81 | P42-A50 HydrophobicContact CB-CB 3.74Å; P42-A50 HydrophobicContact CG-CB 3.9Å; C48-A50 WeakPolarHBondContact CB-O 3.25Å; A50-I52 VanDerWaalsContact C-N 3.33Å; A50-C81 WeakPolarHBondContact O-CB 3.36Å |
| 51 | N | 98 | Very high | 94.6 | Very high | 141 Ų | 141 | 55.5 Ų | 55.5 | 75% | 0.754 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -78.2 | -20 | -177.9 | -65.5 | -27.7 | 0 | 0 | 0 | 113.4 | S80 C81 | N51-S80 WeakPolarHBondContact O-CA 3.49Å; N51-C81 PolarHBondContact O-N 3.42Å |
| 52 | I | 98.3 | Very high | 94.3 | Very high | 97 Ų | 97 | 59.8 Ų | 59.8 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.3 | -171.4 | -60.8 | 174.3 | 0 | 0 | 0 | 109 | P42 A50 D79 | P42-I52 VanDerWaalsContact CD-O 3.28Å; P42-I52 WeakPolarHBondContact CD-O 3.48Å; A50-I52 VanDerWaalsContact C-N 3.33Å; I52-D79 CarbonylContact C-O 3.57Å; I52-D79 WeakPolarHBondContact CA-O 3.5Å |
| 53 | A | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 150.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | W39 R40 C41 S78 D79 C81 V84 | W39-A53 HydrophobicContact CE3-CB 4.05Å; W39-A53 WeakPolarHBondContact CZ3-O 3.29Å; R40-A53 CarbonylContact O-C 3.56Å; R40-A53 WeakPolarHBondContact O-CA 3.44Å; R40-A53 WeakPolarHBondContact O-CB 3.27Å; C41-A53 HydrophobicContact CB-CB 4.35Å; C41-A53 VanDerWaalsContact SG-CB 3.59Å; A53-S78 VanDerWaalsContact O-CA 3.27Å; A53-S78 WeakPolarHBondContact O-CA 3.49Å; A53-D79 PolarHBondContact N-O 2.96Å; A53-D79 PolarHBondContact O-N 3.28Å; A53-C81 HydrophobicContact CB-CB 4.18Å; A53-V84 HydrophobicContact CB-CB 4.19Å; A53-V84 HydrophobicContact CB-CG1 4.33Å; A53-V84 HydrophobicContact CB-CG2 4.11Å |
| 54 | T | 97.9 | Very high | 94 | Very high | 24 Ų | 24 | 59.5 Ų | 59.5 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.9 | -177.5 | -50.6 | 0 | 0 | 0 | 0 | 110.1 | R40 Y56 T76 Q77 | R40-T54 WeakPolarHBondContact CA-O 3.29Å; R40-T54 WeakPolarHBondContact CB-O 3.1Å; R40-T54 WeakPolarHBondContact CG-O 3.35Å; R40-T54 PolarHBondContact N-O 2.95Å; R40-T54 PolarHBondContact O-N 3.49Å; T54-Y56 HydrophobicContact CG2-CD1 4.36Å; T54-Y56 HydrophobicContact CG2-CE1 3.64Å; T54-Y56 HydrophobicContact CG2-CE2 3.97Å; T54-Y56 VanDerWaalsContact CG2-CZ 3.4Å; T54-Y56 WeakPolarHBondContact CG2-OH 3.49Å; T54-T76 HydrophobicContact CG2-CG2 3.52Å; T54-Q77 CarbonylContact C-O 3.38Å; T54-Q77 VanDerWaalsContact CA-O 3.25Å; T54-Q77 WeakPolarHBondContact CA-O 3.49Å; T54-Q77 VanDerWaalsContact CG2-O 3.29Å; T54-Q77 WeakPolarHBondContact CG2-O 3.24Å |
| 55 | R | 97.4 | Very high | 94.2 | Very high | 65 Ų | 65 | 57.6 Ų | 57.6 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 154.9 | 166 | 65.3 | 173.8 | -175.3 | -176.6 | -0 | 110.1 | W36 P38 W39 Q77 | W36-R55 HydrophobicContact CE3-CG 3.74Å; W36-R55 HydrophobicContact CZ3-CG 3.98Å; P38-R55 WeakPolarHBondContact O-CB 3.19Å; W39-R55 HydrophobicContact CD2-CB 4.01Å; W39-R55 HydrophobicContact CD2-CG 3.92Å; W39-R55 HydrophobicContact CE3-CB 4.04Å; W39-R55 HydrophobicContact CE3-CG 3.99Å; W39-R55 HydrophobicContact CG-CB 4.32Å; W39-R55 HydrophobicContact CH2-CG 4.1Å; W39-R55 HydrophobicContact CZ2-CG 4.04Å; W39-R55 HydrophobicContact CZ3-CG 4.07Å; R55-Q77 HydrophobicContact CG-CB 3.96Å; R55-Q77 PolarHBondContact N-O 3.45Å; R55-Q77 PolarHBondContact O-N 3Å |
| 56 | Y | 97.2 | Very high | 94.3 | Very high | 33 Ų | 33 | 59.6 Ų | 59.6 | 13% | 0.129 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 150.7 | -175.3 | -55.5 | -80.8 | 0 | 0 | 0 | 110.3 | G37 R40 T54 N65 A70 H75 T76 | G37-Y56 PolarHBondContact N-O 3.48Å; R40-Y56 HydrophobicContact CG-CE2 4.37Å; T54-Y56 HydrophobicContact CG2-CD1 4.36Å; T54-Y56 HydrophobicContact CG2-CE1 3.64Å; T54-Y56 HydrophobicContact CG2-CE2 3.97Å; T54-Y56 VanDerWaalsContact CG2-CZ 3.4Å; T54-Y56 WeakPolarHBondContact CG2-OH 3.49Å; Y56-N65 HydrophobicContact CE1-CB 3.78Å; Y56-N65 HydrophobicContact CE2-CB 4.36Å; Y56-A70 HydrophobicContact CD1-CB 3.75Å; Y56-A70 HydrophobicContact CG-CB 3.99Å; Y56-H75 CarbonylContact C-O 3.52Å; Y56-H75 WeakPolarHBondContact CA-O 3.44Å; Y56-T76 HydrophobicContact CD1-CG2 4.1Å; Y56-T76 WeakPolarHBondContact CD1-OG1 3.48Å; Y56-T76 HydrophobicContact CE1-CG2 3.83Å |
| 57 | K | 96.9 | Very high | 94.5 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.9 | 175.7 | -156.7 | -170.4 | -179.8 | -164.2 | 0 | 109.6 | S34 E35 W36 C69 H75 | S34-K57 WeakPolarHBondContact O-CE 3.32Å; S34-K57 WeakPolarHBondContact OG-CD 3.24Å; S34-K57 VanDerWaalsContact OG-CE 3.24Å; S34-K57 WeakPolarHBondContact OG-CE 3.1Å; S34-K57 WeakPolarHBondContact OG-CG 3.46Å; E35-K57 CarbonylContact O-C 3.5Å; E35-K57 VanDerWaalsContact O-CA 3.3Å; E35-K57 WeakPolarHBondContact O-CA 3.33Å; E35-K57 WeakPolarHBondContact O-CG 3.32Å; W36-K57 HydrophobicContact CD2-CB 4Å; W36-K57 HydrophobicContact CD2-CG 4.07Å; W36-K57 HydrophobicContact CE3-CB 3.86Å; W36-K57 HydrophobicContact CE3-CG 4.42Å; W36-K57 HydrophobicContact CG-CG 4.3Å; W36-K57 HydrophobicContact CH2-CB 4.05Å; W36-K57 HydrophobicContact CZ2-CB 4.2Å; W36-K57 HydrophobicContact CZ2-CD 4.34Å; W36-K57 HydrophobicContact CZ3-CB 3.9Å; K57-C69 CarbonylContact O-C 3.54Å; K57-C69 WeakPolarHBondContact O-CB 3.23Å; K57-H75 HydrophobicContact CB-CB 3.97Å; K57-H75 PolarHBondContact N-O 3.23Å; K57-H75 PolarHBondContact O-CD2 3.3Å |
| 58 | C | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 164.9 | -175.3 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | S34 E35 G60 G61 C63 C69 | S34-C58 WeakPolarHBondContact CA-O 3.38Å; E35-C58 PolarHBondContact N-O 3.3Å; E35-C58 PolarHBondContact O-N 2.94Å; C58-G60 PolarHBondContact O-N 2.97Å; C58-G61 PolarHBondContact O-N 3.01Å; C58-G61 VanDerWaalsContact SG-C 3.56Å; C58-G61 PolarHBondContact SG-O 2.94Å; C58-C63 HydrophobicContact CB-CB 3.91Å; C58-C63 WeakPolarHBondContact CB-SG 3.43Å; C58-C63 WeakPolarHBondContact SG-CB 3.46Å; C58-C63 CovalentContact SG-SG 2Å; C58-C63 PolarHBondContact SG-SG 3.44Å; C58-C69 HydrophobicContact CB-CB 4.02Å |
| 59 | I | 92.2 | Very high | 94.2 | Very high | 85 Ų | 85 | 55.1 Ų | 55.1 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 119.6 | 176.4 | -56.4 | 171.1 | 0 | 0 | 0 | 108.3 | E29 K33 G61 | E29-I59 HydrophobicContact CG-CD1 3.82Å; K33-I59 HydrophobicContact CB-CG1 4.17Å; K33-I59 HydrophobicContact CB-CG2 4.47Å; I59-G61 VanDerWaalsContact C-N 3.33Å |
| 60 | G | 88.8 | Confident | 94.1 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -3.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | C58 N62 | C58-G60 PolarHBondContact O-N 2.97Å; G60-N62 PolarHBondContact O-N 3.21Å |
| 61 | G | 88.9 | Confident | 93.8 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 74.6 | -45.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G37 C58 I59 C63 | G37-G61 WeakPolarHBondContact CA-O 3.27Å; G37-G61 PolarHBondContact N-O 2.9Å; C58-G61 PolarHBondContact O-N 3.01Å; C58-G61 VanDerWaalsContact SG-C 3.56Å; C58-G61 PolarHBondContact SG-O 2.94Å; I59-G61 VanDerWaalsContact C-N 3.33Å; G61-C63 VanDerWaalsContact C-N 3.3Å; G61-C63 PolarHBondContact O-N 3.25Å |
| 62 | N | 90.6 | Very high | 93.5 | Very high | 89 Ų | 89 | 50.1 Ų | 50.1 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | trans | -82.6 | 63.4 | -171.2 | -159.3 | -8.5 | 0 | 0 | 0 | 113.6 | R40 G60 E91 | R40-N62 PolarHBondContact NH2-OD1 3.45Å; G60-N62 PolarHBondContact O-N 3.21Å; N62-E91 PolarHBondContact ND2-OE1 3.39Å | ||
| 63 | C | 92 | Very high | 93.1 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | trans | -118.7 | 179.5 | 179.6 | 69.3 | 0 | 0 | 0 | 0 | 114.1 | R40 C58 G61 | R40-C63 PolarHBondContact NE-O 3.28Å; R40-C63 PolarHBondContact NH2-O 2.96Å; C58-C63 HydrophobicContact CB-CB 3.91Å; C58-C63 WeakPolarHBondContact CB-SG 3.43Å; C58-C63 WeakPolarHBondContact SG-CB 3.46Å; C58-C63 CovalentContact SG-SG 2Å; C58-C63 PolarHBondContact SG-SG 3.44Å; G61-C63 VanDerWaalsContact C-N 3.3Å; G61-C63 PolarHBondContact O-N 3.25Å | ||
| 64 | T | 93 | Very high | 92.8 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | trans | -124.7 | -174.5 | 172.6 | 39.9 | 0 | 0 | 0 | 0 | 111 | R40 D66 S67 A70 W93 | R40-T64 HydrophobicContact CG-CG2 4.48Å; T64-D66 VanDerWaalsContact C-OD1 3.26Å; T64-D66 WeakPolarHBondContact CB-OD1 3.2Å; T64-D66 PolarHBondContact O-N 3.37Å; T64-D66 VanDerWaalsContact O-N 3.09Å; T64-D66 PolarHBondContact OG1-OD1 3.32Å; T64-S67 WeakPolarHBondContact O-CB 3.39Å; T64-S67 PolarHBondContact O-N 2.84Å; T64-S67 VanDerWaalsContact O-N 3.13Å; T64-A70 WeakPolarHBondContact O-CB 3.25Å; T64-W93 HydrophobicContact CG2-CB 4.27Å; T64-W93 HydrophobicContact CG2-CG 3.89Å | ||
| 65 | N | 92.5 | Very high | 92.7 | Very high | 94 Ų | 94 | 60.5 Ų | 60.5 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.1 | -177.3 | 67.2 | -11.8 | 0 | 0 | 0 | 115.1 | Y56 S67 | Y56-N65 HydrophobicContact CE1-CB 3.78Å; Y56-N65 HydrophobicContact CE2-CB 4.36Å; N65-S67 VanDerWaalsContact C-N 3.33Å |
| 66 | D | 89.9 | Confident | 92.7 | Very high | 85 Ų | 85 | 60.4 Ų | 60.4 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -22.7 | 175.7 | 65 | -39.6 | 0 | 0 | 0 | 112.5 | T64 | T64-D66 VanDerWaalsContact C-OD1 3.26Å; T64-D66 WeakPolarHBondContact CB-OD1 3.2Å; T64-D66 PolarHBondContact O-N 3.37Å; T64-D66 VanDerWaalsContact O-N 3.09Å; T64-D66 PolarHBondContact OG1-OD1 3.32Å |
| 67 | S | 91.5 | Very high | 92.7 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 22% | 0.217 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -63.4 | 141.9 | 177.5 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | T64 N65 C69 A70 | T64-S67 WeakPolarHBondContact O-CB 3.39Å; T64-S67 PolarHBondContact O-N 2.84Å; T64-S67 VanDerWaalsContact O-N 3.13Å; N65-S67 VanDerWaalsContact C-N 3.33Å; S67-C69 PolarHBondContact O-N 3.05Å; S67-A70 WeakPolarHBondContact O-CB 3.27Å; S67-A70 PolarHBondContact O-N 3.49Å |
| 68 | L | 91.1 | Very high | 92.7 | Very high | 108 Ų | 108 | 63.7 Ų | 63.7 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -44.4 | -180 | -65.9 | 177.3 | 0 | 0 | 0 | 112.1 | L26 A70 K71 | L26-L68 HydrophobicContact CD1-CB 3.87Å; L26-L68 HydrophobicContact CD1-CD1 4.29Å; L26-L68 HydrophobicContact CD2-CB 4.01Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 2.66Å; L68-K71 PolarHBondContact O-N 3.26Å |
| 69 | C | 94.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.027 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -66.1 | -31.8 | 178.5 | -62 | 0 | 0 | 0 | 0 | 112.7 | C30 K57 C58 S67 K71 L72 H75 | C30-C69 HydrophobicContact CB-CB 3.76Å; C30-C69 WeakPolarHBondContact CB-SG 3.43Å; C30-C69 WeakPolarHBondContact SG-CA 3.35Å; C30-C69 WeakPolarHBondContact SG-CB 3.02Å; C30-C69 CovalentContact SG-SG 2.04Å; C30-C69 PolarHBondContact SG-SG 3Å; K57-C69 CarbonylContact O-C 3.54Å; K57-C69 WeakPolarHBondContact O-CB 3.23Å; C58-C69 HydrophobicContact CB-CB 4.02Å; S67-C69 PolarHBondContact O-N 3.05Å; C69-K71 PolarHBondContact O-N 2.78Å; C69-K71 VanDerWaalsContact O-N 3.15Å; C69-L72 WeakPolarHBondContact O-CB 3.07Å; C69-L72 PolarHBondContact O-N 2.83Å; C69-L72 VanDerWaalsContact O-N 3.1Å; C69-H75 WeakPolarHBondContact O-CB 3.33Å; C69-H75 PolarHBondContact O-CD2 2.82Å |
| 70 | A | 93.7 | Very high | 93.1 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.033 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -63.2 | -21.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y56 T64 S67 L68 T76 | Y56-A70 HydrophobicContact CD1-CB 3.75Å; Y56-A70 HydrophobicContact CG-CB 3.99Å; T64-A70 WeakPolarHBondContact O-CB 3.25Å; S67-A70 WeakPolarHBondContact O-CB 3.27Å; S67-A70 PolarHBondContact O-N 3.49Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 2.66Å; A70-T76 PolarHBondContact O-OG1 2.93Å; A70-T76 VanDerWaalsContact O-OG1 3.08Å |
| 71 | K | 91 | Very high | 93.6 | Very high | 146 Ų | 146 | 61.2 Ų | 61.2 | 64% | 0.635 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -82.8 | -11.3 | 178.9 | -61.6 | 177.5 | -175.6 | 176.9 | 0 | 113.8 | L68 C69 | L68-K71 PolarHBondContact O-N 3.26Å; C69-K71 PolarHBondContact O-N 2.78Å; C69-K71 VanDerWaalsContact O-N 3.15Å |
| 72 | L | 91.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 64.3 Ų | 64.3 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -73.8 | 153 | 177.6 | -63.6 | 176.2 | 0 | 0 | 0 | 110.8 | L23 C30 C69 H75 | L23-L72 HydrophobicContact CD1-CD2 4.42Å; C30-L72 HydrophobicContact CB-CD1 3.48Å; C30-L72 VanDerWaalsContact CB-CD1 3.48Å; C69-L72 WeakPolarHBondContact O-CB 3.07Å; C69-L72 PolarHBondContact O-N 2.83Å; C69-L72 VanDerWaalsContact O-N 3.1Å; L72-H75 HydrophobicContact CB-CB 4.27Å; L72-H75 WeakPolarHBondContact O-CB 3.3Å; L72-H75 PolarHBondContact O-N 2.93Å |
| 73 | E | 90 | Very high | 94.2 | Very high | 172 Ų | 172 | 65.9 Ų | 65.9 | 80% | 0.804 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 145.9 | 171 | -65.8 | -173.3 | 173.4 | 0 | 0 | 110.6 | H75 | E73-H75 PolarHBondContact O-N 2.71Å; E73-H75 PolarHBondContact O-ND1 3.3Å |
| 74 | N | 92.4 | Very high | 94.3 | Very high | 145 Ų | 145 | 65 Ų | 65 | 78% | 0.775 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 10.1 | -178.1 | -53.9 | -44 | 0 | 0 | 0 | 115.8 | ||
| 75 | H | 95.3 | Very high | 94.3 | Very high | 22 Ų | 22 | 64.9 Ų | 64.9 | 10% | 0.102 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -101.7 | 10.6 | 175.5 | -71.7 | 59.7 | 0 | 0 | 0 | 113.3 | S34 Y56 K57 C69 L72 E73 | S34-H75 PolarHBondContact OG-NE2 3.48Å; Y56-H75 CarbonylContact C-O 3.52Å; Y56-H75 WeakPolarHBondContact CA-O 3.44Å; K57-H75 HydrophobicContact CB-CB 3.97Å; K57-H75 PolarHBondContact N-O 3.23Å; K57-H75 PolarHBondContact O-CD2 3.3Å; C69-H75 WeakPolarHBondContact O-CB 3.33Å; C69-H75 PolarHBondContact O-CD2 2.82Å; L72-H75 HydrophobicContact CB-CB 4.27Å; L72-H75 WeakPolarHBondContact O-CB 3.3Å; L72-H75 PolarHBondContact O-N 2.93Å; E73-H75 PolarHBondContact O-N 2.71Å; E73-H75 PolarHBondContact O-ND1 3.3Å |
| 76 | T | 97 | Very high | 94.3 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.7 | 174.8 | -64.4 | 0 | 0 | 0 | 0 | 109 | T54 Y56 A70 | T54-T76 HydrophobicContact CG2-CG2 3.52Å; Y56-T76 HydrophobicContact CD1-CG2 4.1Å; Y56-T76 WeakPolarHBondContact CD1-OG1 3.48Å; Y56-T76 HydrophobicContact CE1-CG2 3.83Å; A70-T76 PolarHBondContact O-OG1 2.93Å; A70-T76 VanDerWaalsContact O-OG1 3.08Å |
| 77 | Q | 97.5 | Very high | 94.3 | Very high | 74 Ų | 74 | 68.2 Ų | 68.2 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.1 | 173.7 | -84 | 177.1 | 2 | 0 | 0 | 110 | W36 W39 T54 R55 | W36-Q77 HydrophobicContact CH2-CB 3.94Å; W36-Q77 HydrophobicContact CH2-CG 3.42Å; W36-Q77 VanDerWaalsContact CH2-CG 3.42Å; W36-Q77 VanDerWaalsContact CZ2-CD 3.46Å; W36-Q77 HydrophobicContact CZ2-CG 3.87Å; W36-Q77 VanDerWaalsContact CZ2-NE2 3.33Å; W36-Q77 HydrophobicContact CZ3-CB 3.95Å; W36-Q77 HydrophobicContact CZ3-CG 3.95Å; W39-Q77 HydrophobicContact CH2-CB 4.15Å; W39-Q77 WeakPolarHBondContact CZ3-O 3.03Å; T54-Q77 CarbonylContact C-O 3.38Å; T54-Q77 VanDerWaalsContact CA-O 3.25Å; T54-Q77 WeakPolarHBondContact CA-O 3.49Å; T54-Q77 VanDerWaalsContact CG2-O 3.29Å; T54-Q77 WeakPolarHBondContact CG2-O 3.24Å; R55-Q77 HydrophobicContact CG-CB 3.96Å; R55-Q77 PolarHBondContact N-O 3.45Å; R55-Q77 PolarHBondContact O-N 3Å |
| 78 | S | 97.9 | Very high | 94.2 | Very high | 77 Ų | 77 | 68.9 Ų | 68.9 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.6 | -179.1 | -67.6 | 0 | 0 | 0 | 0 | 110.8 | A53 | A53-S78 VanDerWaalsContact O-CA 3.27Å; A53-S78 WeakPolarHBondContact O-CA 3.49Å |
| 79 | D | 98.4 | Very high | 94.1 | Very high | 56 Ų | 56 | 67.6 Ų | 67.6 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 171.8 | 175.6 | -168 | 3.9 | 0 | 0 | 0 | 108.9 | W39 I52 A53 C81 V84 R87 | W39-D79 HydrophobicContact CH2-CB 3.58Å; W39-D79 HydrophobicContact CZ2-CB 4.22Å; W39-D79 HydrophobicContact CZ3-CB 3.87Å; I52-D79 CarbonylContact C-O 3.57Å; I52-D79 WeakPolarHBondContact CA-O 3.5Å; A53-D79 PolarHBondContact N-O 2.96Å; A53-D79 PolarHBondContact O-N 3.28Å; D79-C81 PolarHBondContact O-N 2.99Å; D79-V84 HydrophobicContact CB-CG2 3.75Å; D79-R87 IonicContact OD2-CZ 3.23Å; D79-R87 IonicContact OD2-NH1 3.29Å; D79-R87 PolarHBondContact OD2-NH1 3.27Å; D79-R87 VanDerWaalsContact OD2-NH1 3.11Å; D79-R87 IonicContact OD2-NH2 3.37Å; D79-R87 PolarHBondContact OD2-NH2 3.05Å |
| 80 | S | 98.4 | Very high | 94 | Very high | 40 Ų | 40 | 67.8 Ų | 67.8 | 28% | 0.28 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 121.9 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | N51 V82 K83 V84 | N51-S80 WeakPolarHBondContact O-CA 3.49Å; S80-V82 VanDerWaalsContact C-N 3.3Å; S80-V82 PolarHBondContact O-N 3.31Å; S80-K83 PolarHBondContact O-N 2.96Å; S80-V84 WeakPolarHBondContact O-CG2 3.39Å; S80-V84 PolarHBondContact O-N 2.92Å |
| 81 | C | 98 | Very high | 94 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.1 | -45 | -178.8 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | C48 A50 N51 A53 D79 K83 V84 L85 | C48-C81 HydrophobicContact CB-CB 3.84Å; C48-C81 WeakPolarHBondContact CB-SG 3.48Å; C48-C81 WeakPolarHBondContact SG-CB 3.45Å; C48-C81 PolarHBondContact SG-O 3.05Å; C48-C81 VanDerWaalsContact SG-O 3.38Å; C48-C81 CovalentContact SG-SG 2.04Å; C48-C81 PolarHBondContact SG-SG 3.14Å; A50-C81 WeakPolarHBondContact O-CB 3.36Å; N51-C81 PolarHBondContact O-N 3.42Å; A53-C81 HydrophobicContact CB-CB 4.18Å; D79-C81 PolarHBondContact O-N 2.99Å; C81-K83 PolarHBondContact O-N 3.4Å; C81-V84 PolarHBondContact O-N 3.17Å; C81-L85 VanDerWaalsContact O-CB 3.24Å; C81-L85 WeakPolarHBondContact O-CB 3.49Å; C81-L85 PolarHBondContact O-N 3.27Å |
| 82 | V | 96.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 62.1 Ų | 62.1 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | -178.8 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | C48 S80 V84 L85 E86 | C48-V82 HydrophobicContact CB-CG2 4.45Å; S80-V82 VanDerWaalsContact C-N 3.3Å; S80-V82 PolarHBondContact O-N 3.31Å; V82-V84 PolarHBondContact O-N 3.04Å; V82-L85 PolarHBondContact O-N 2.91Å; V82-E86 HydrophobicContact CG1-CG 4.47Å; V82-E86 WeakPolarHBondContact CG1-OE1 3.42Å; V82-E86 WeakPolarHBondContact O-CB 3.41Å; V82-E86 VanDerWaalsContact O-CG 3.28Å; V82-E86 WeakPolarHBondContact O-CG 3.35Å; V82-E86 PolarHBondContact O-N 3.3Å |
| 83 | K | 96.3 | Very high | 94.2 | Very high | 121 Ų | 121 | 62.8 Ų | 62.8 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 179.3 | -64.9 | -175.8 | -179.4 | -179.5 | 0 | 112.2 | S80 C81 L85 E86 R87 | S80-K83 PolarHBondContact O-N 2.96Å; C81-K83 PolarHBondContact O-N 3.4Å; K83-L85 VanDerWaalsContact C-N 3.29Å; K83-L85 PolarHBondContact O-N 3.39Å; K83-E86 PolarHBondContact O-N 3.49Å; K83-R87 WeakPolarHBondContact O-CG 3.42Å; K83-R87 PolarHBondContact O-N 3.14Å |
| 84 | V | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | W39 A53 D79 S80 C81 V82 R87 G88 E89 | W39-V84 HydrophobicContact CB-CG1 3.4Å; W39-V84 VanDerWaalsContact CB-CG1 3.4Å; W39-V84 HydrophobicContact CD2-CG1 3.91Å; W39-V84 HydrophobicContact CD2-CG2 4.26Å; W39-V84 HydrophobicContact CE3-CG1 4.45Å; W39-V84 HydrophobicContact CE3-CG2 4.33Å; W39-V84 HydrophobicContact CG-CG1 3.45Å; W39-V84 VanDerWaalsContact CG-CG1 3.45Å; A53-V84 HydrophobicContact CB-CB 4.19Å; A53-V84 HydrophobicContact CB-CG1 4.33Å; A53-V84 HydrophobicContact CB-CG2 4.11Å; D79-V84 HydrophobicContact CB-CG2 3.75Å; S80-V84 WeakPolarHBondContact O-CG2 3.39Å; S80-V84 PolarHBondContact O-N 2.92Å; C81-V84 PolarHBondContact O-N 3.17Å; V82-V84 PolarHBondContact O-N 3.04Å; V84-R87 VanDerWaalsContact CG2-NH2 3.28Å; V84-R87 PolarHBondContact O-N 2.82Å; V84-G88 PolarHBondContact O-N 3.5Å; V84-E89 HydrophobicContact CG1-CB 3.96Å; V84-E89 PolarHBondContact O-N 3.02Å |
| 85 | L | 92.8 | Very high | 94.5 | Very high | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 176 | -175.4 | 63.7 | 0 | 0 | 0 | 112.1 | T46 C81 V82 K83 R87 G88 C90 A121 L122 N123 | T46-L85 WeakPolarHBondContact O-CD2 3.39Å; C81-L85 VanDerWaalsContact O-CB 3.24Å; C81-L85 WeakPolarHBondContact O-CB 3.49Å; C81-L85 PolarHBondContact O-N 3.27Å; V82-L85 PolarHBondContact O-N 2.91Å; K83-L85 VanDerWaalsContact C-N 3.29Å; K83-L85 PolarHBondContact O-N 3.39Å; L85-R87 VanDerWaalsContact C-N 3.28Å; L85-R87 PolarHBondContact O-N 2.93Å; L85-G88 PolarHBondContact O-N 2.81Å; L85-C90 WeakPolarHBondContact CA-SG 3.4Å; L85-C90 HydrophobicContact CD1-CB 4.02Å; L85-C90 PolarHBondContact N-SG 3.05Å; L85-C90 VanDerWaalsContact N-SG 3.39Å; L85-A121 HydrophobicContact CD1-CB 3.91Å; L85-A121 HydrophobicContact CD2-CB 3.91Å; L85-L122 VanDerWaalsContact CD1-C 3.46Å; L85-N123 HydrophobicContact CD1-CB 4Å; L85-N123 HydrophobicContact CG-CB 4.37Å; L85-N123 WeakPolarHBondContact O-CB 3.37Å; L85-N123 PolarHBondContact O-ND2 3.24Å; L85-N123 VanDerWaalsContact O-ND2 3.15Å |
| 86 | E | 91.7 | Very high | 94.5 | Very high | 134 Ų | 134 | 54.5 Ų | 54.5 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.8 | -38.7 | 173.6 | -74.2 | 168.4 | 174.1 | 0 | 0 | 111.8 | V82 K83 G88 | V82-E86 HydrophobicContact CG1-CG 4.47Å; V82-E86 WeakPolarHBondContact CG1-OE1 3.42Å; V82-E86 WeakPolarHBondContact O-CB 3.41Å; V82-E86 VanDerWaalsContact O-CG 3.28Å; V82-E86 WeakPolarHBondContact O-CG 3.35Å; V82-E86 PolarHBondContact O-N 3.3Å; K83-E86 PolarHBondContact O-N 3.49Å; E86-G88 PolarHBondContact O-N 3.02Å |
| 87 | R | 90.4 | Very high | 94.4 | Very high | 116 Ų | 116 | 54.9 Ų | 54.9 | 44% | 0.438 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.2 | 173.7 | -66.9 | -170.6 | -55.1 | -114.4 | 6 | 114.2 | D79 K83 V84 L85 E89 | D79-R87 IonicContact OD2-CZ 3.23Å; D79-R87 IonicContact OD2-NH1 3.29Å; D79-R87 PolarHBondContact OD2-NH1 3.27Å; D79-R87 VanDerWaalsContact OD2-NH1 3.11Å; D79-R87 IonicContact OD2-NH2 3.37Å; D79-R87 PolarHBondContact OD2-NH2 3.05Å; K83-R87 WeakPolarHBondContact O-CG 3.42Å; K83-R87 PolarHBondContact O-N 3.14Å; V84-R87 VanDerWaalsContact CG2-NH2 3.28Å; V84-R87 PolarHBondContact O-N 2.82Å; L85-R87 VanDerWaalsContact C-N 3.28Å; L85-R87 PolarHBondContact O-N 2.93Å; R87-E89 VanDerWaalsContact C-N 3.28Å; R87-E89 HydrophobicContact CB-CG 3.86Å; R87-E89 IonicContact CZ-OE2 3.5Å; R87-E89 VanDerWaalsContact NE-CD 3.32Å; R87-E89 IonicContact NE-OE1 2.77Å; R87-E89 PolarHBondContact NE-OE1 3.27Å; R87-E89 IonicContact NE-OE2 3.36Å; R87-E89 PolarHBondContact NE-OE2 3.17Å; R87-E89 IonicContact NH2-OE2 2.68Å; R87-E89 PolarHBondContact NH2-OE2 3.09Å; R87-E89 VanDerWaalsContact NH2-OE2 3.08Å; R87-E89 PolarHBondContact O-N 3.13Å |
| 88 | G | 88.1 | Confident | 94.4 | Very high | 44 Ų | 44 | 53.9 Ų | 53.9 | 45% | 0.454 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 23.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V84 L85 E86 | V84-G88 PolarHBondContact O-N 3.5Å; L85-G88 PolarHBondContact O-N 2.81Å; E86-G88 PolarHBondContact O-N 3.02Å |
| 89 | E | 90.2 | Very high | 94.4 | Very high | 81 Ų | 81 | 55.4 Ų | 55.4 | 38% | 0.379 | 30% | 0.295 | S | S | . | . | trans | -94.1 | -5.7 | -176.7 | -64.3 | 172.4 | 178 | 0 | 0 | 113.1 | W39 V84 R87 | W39-E89 PolarHBondContact N-O 2.54Å; W39-E89 PolarHBondContact NE1-OE2 3.46Å; V84-E89 HydrophobicContact CG1-CB 3.96Å; V84-E89 PolarHBondContact O-N 3.02Å; R87-E89 VanDerWaalsContact C-N 3.28Å; R87-E89 HydrophobicContact CB-CG 3.86Å; R87-E89 IonicContact CZ-OE2 3.5Å; R87-E89 VanDerWaalsContact NE-CD 3.32Å; R87-E89 IonicContact NE-OE1 2.77Å; R87-E89 PolarHBondContact NE-OE1 3.27Å; R87-E89 IonicContact NE-OE2 3.36Å; R87-E89 PolarHBondContact NE-OE2 3.17Å; R87-E89 IonicContact NH2-OE2 2.68Å; R87-E89 PolarHBondContact NH2-OE2 3.09Å; R87-E89 VanDerWaalsContact NH2-OE2 3.08Å; R87-E89 PolarHBondContact O-N 3.13Å | ||
| 90 | C | 92.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 126.6 | 179.6 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | W39 C41 L85 A121 | W39-C90 WeakPolarHBondContact O-CA 3.38Å; C41-C90 HydrophobicContact CB-CB 3.62Å; C41-C90 WeakPolarHBondContact CB-SG 3.49Å; C41-C90 WeakPolarHBondContact SG-CB 3.41Å; C41-C90 CovalentContact SG-SG 2.01Å; C41-C90 PolarHBondContact SG-SG 3.47Å; L85-C90 WeakPolarHBondContact CA-SG 3.4Å; L85-C90 HydrophobicContact CD1-CB 4.02Å; L85-C90 PolarHBondContact N-SG 3.05Å; L85-C90 VanDerWaalsContact N-SG 3.39Å; C90-A121 VanDerWaalsContact CB-O 3.25Å; C90-A121 WeakPolarHBondContact CB-O 3.44Å |
| 91 | E | 92.2 | Very high | 94.3 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | trans | -119.1 | 124.9 | 173.2 | -168.2 | -179.5 | 120 | 0 | 0 | 110.5 | P38 W39 R40 N62 S134 | P38-E91 HydrophobicContact CB-CB 3.49Å; P38-E91 VanDerWaalsContact CB-CB 3.49Å; P38-E91 HydrophobicContact CB-CG 4.42Å; P38-E91 HydrophobicContact CG-CB 4.03Å; P38-E91 HydrophobicContact CG-CG 4.45Å; W39-E91 PolarHBondContact O-N 3.44Å; R40-E91 PolarHBondContact NH1-O 2.68Å; N62-E91 PolarHBondContact ND2-OE1 3.39Å; E91-S134 PolarHBondContact OE2-OG 3.46Å | ||
| 92 | P | 93.7 | Very high | 94 | Very high | 6 Ų | 6 | 65.6 Ų | 65.6 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | trans | -56.4 | 144.3 | 173.6 | -26.4 | 36.2 | 0 | 0 | 0 | 112.6 | T119 L122 C139 A140 | P92-T119 CarbonylContact C-O 3.59Å; P92-T119 VanDerWaalsContact CA-O 3.28Å; P92-T119 WeakPolarHBondContact CA-O 3.11Å; P92-L122 HydrophobicContact CG-CB 4.02Å; P92-L122 HydrophobicContact CG-CD2 3.89Å; P92-C139 VanDerWaalsContact C-SG 3.56Å; P92-A140 HydrophobicContact CB-CB 4.01Å; P92-A140 HydrophobicContact CG-CB 3.88Å | ||
| 93 | W | 94.4 | Very high | 93.8 | Very high | 45 Ų | 45 | 64.7 Ų | 64.7 | 17% | 0.17 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 157.5 | -176.6 | 71.2 | 97 | 0 | 0 | 0 | 112.5 | R40 T64 C118 T119 C139 | R40-W93 HydrophobicContact CB-CD2 4.15Å; R40-W93 HydrophobicContact CB-CE3 3.78Å; R40-W93 HydrophobicContact CB-CH2 3.86Å; R40-W93 HydrophobicContact CB-CZ2 4.23Å; R40-W93 HydrophobicContact CB-CZ3 3.63Å; R40-W93 HydrophobicContact CG-CD2 4.22Å; R40-W93 HydrophobicContact CG-CE3 4.16Å; R40-W93 HydrophobicContact CG-CZ3 4.5Å; T64-W93 HydrophobicContact CG2-CB 4.27Å; T64-W93 HydrophobicContact CG2-CG 3.89Å; W93-C118 WeakPolarHBondContact O-CA 3.4Å; W93-T119 HydrophobicContact CD2-CG2 4.01Å; W93-T119 VanDerWaalsContact CE3-O 3.28Å; W93-T119 HydrophobicContact CG-CG2 4.5Å; W93-T119 HydrophobicContact CH2-CG2 4.3Å; W93-T119 HydrophobicContact CZ2-CG2 3.7Å; W93-T119 PolarHBondContact N-O 3.26Å; W93-T119 PolarHBondContact O-N 2.75Å; W93-C139 VanDerWaalsContact CA-SG 3.53Å; W93-C139 PolarHBondContact N-SG 3.29Å; W93-C139 VanDerWaalsContact N-SG 3.43Å; W93-C139 PolarHBondContact O-SG 3.36Å |
| 94 | W | 94.5 | Very high | 93.4 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 126.8 | 171.3 | -76 | 124.9 | 0 | 0 | 0 | 110.2 | R116 F117 C118 C139 R144 E147 R148 | W94-R116 VanDerWaalsContact CD1-CZ 3.46Å; W94-R116 HydrophobicContact CD2-CG 4.14Å; W94-R116 HydrophobicContact CE3-CB 4.49Å; W94-R116 HydrophobicContact CE3-CG 3.66Å; W94-R116 HydrophobicContact CZ3-CG 4.22Å; W94-F117 CarbonylContact C-O 3.42Å; W94-F117 WeakPolarHBondContact CA-O 3.35Å; W94-C118 HydrophobicContact CE3-CB 4.17Å; W94-C118 HydrophobicContact CH2-CB 4.42Å; W94-C118 HydrophobicContact CZ3-CB 3.94Å; W94-C139 HydrophobicContact CD2-CB 3.54Å; W94-C139 HydrophobicContact CE3-CB 4.06Å; W94-C139 HydrophobicContact CG-CB 3.93Å; W94-C139 HydrophobicContact CH2-CB 4.12Å; W94-C139 HydrophobicContact CZ2-CB 3.6Å; W94-C139 HydrophobicContact CZ3-CB 4.34Å; W94-R144 WeakPolarHBondContact CZ2-O 2.93Å; W94-E147 HydrophobicContact CZ2-CB 3.8Å; W94-E147 PolarHBondContact NE1-OE2 2.77Å; W94-R148 HydrophobicContact CH2-CB 3.93Å; W94-R148 HydrophobicContact CZ3-CB 4.06Å; W94-R148 HydrophobicContact CZ3-CG 4.21Å |
| 95 | T | 94.1 | Very high | 92.9 | Very high | 44 Ų | 44 | 67.2 Ų | 67.2 | 27% | 0.27 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 168.5 | 166.8 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | R116 F117 T119 | T95-R116 WeakPolarHBondContact O-CB 3.37Å; T95-F117 HydrophobicContact CG2-CB 4.3Å; T95-F117 WeakPolarHBondContact CG2-O 3.1Å; T95-F117 PolarHBondContact N-O 3.34Å; T95-F117 PolarHBondContact OG1-N 2.04Å; T95-F117 PolarHBondContact OG1-O 3.1Å; T95-T119 HydrophobicContact CG2-CG2 3.62Å |
| 96 | N | 94.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 72.5 Ų | 72.5 | 51% | 0.508 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -53 | 145.5 | 166.1 | -68.4 | -19.8 | 0 | 0 | 0 | 110.6 | ||
| 97 | W | 96.6 | Very high | 92.1 | Very high | 71 Ų | 71 | 67.4 Ų | 67.4 | 27% | 0.269 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 139.7 | 169 | -76.4 | 111 | 0 | 0 | 0 | 110.5 | R114 S115 R116 E147 R148 E150 | W97-R114 HydrophobicContact CD2-CG 4.11Å; W97-R114 HydrophobicContact CE3-CB 4.22Å; W97-R114 HydrophobicContact CE3-CG 3.6Å; W97-R114 HydrophobicContact CZ3-CG 4.04Å; W97-R114 WeakPolarHBondContact CZ3-O 3.38Å; W97-S115 VanDerWaalsContact CE3-C 3.45Å; W97-R116 HydrophobicContact CD2-CB 4.17Å; W97-R116 HydrophobicContact CD2-CG 4.04Å; W97-R116 VanDerWaalsContact CE2-CD 3.42Å; W97-R116 HydrophobicContact CE3-CB 3.86Å; W97-R116 HydrophobicContact CE3-CG 3.75Å; W97-R116 HydrophobicContact CH2-CG 3.84Å; W97-R116 VanDerWaalsContact CZ2-CD 3.49Å; W97-R116 HydrophobicContact CZ2-CG 4.12Å; W97-R116 VanDerWaalsContact CZ2-CZ 3.49Å; W97-R116 HydrophobicContact CZ3-CB 4.21Å; W97-R116 HydrophobicContact CZ3-CG 3.65Å; W97-E147 VanDerWaalsContact CH2-O 3.25Å; W97-E147 WeakPolarHBondContact CH2-O 3.09Å; W97-R148 WeakPolarHBondContact CZ3-O 3.03Å; W97-E150 HydrophobicContact CH2-CB 3.67Å; W97-E150 HydrophobicContact CZ2-CB 4.14Å; W97-E150 HydrophobicContact CZ3-CB 4Å |
| 98 | S | 97.6 | Very high | 91.6 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 37% | 0.371 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 163 | 162.7 | 74.1 | 0 | 0 | 0 | 0 | 110.3 | S115 | S98-S115 WeakPolarHBondContact CB-O 3.37Å; S98-S115 PolarHBondContact N-O 3.15Å; S98-S115 PolarHBondContact OG-N 3.15Å; S98-S115 PolarHBondContact OG-O 3.3Å |
| 99 | S | 97.7 | Very high | 91.2 | Very high | 110 Ų | 110 | 69.3 Ų | 69.3 | 77% | 0.769 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 148.4 | 163.4 | -53.5 | 0 | 0 | 0 | 0 | 110 | S101 | S99-S101 PolarHBondContact O-N 3.4Š|
| 100 | W | 97.1 | Very high | 91.1 | Very high | 79 Ų | 79 | 65.7 Ų | 65.7 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 137.3 | 169.2 | -72.7 | 103.6 | 0 | 0 | 0 | 110.2 | K112 H113 R114 E150 A152 | W100-K112 HydrophobicContact CB-CD 4.13Å; W100-K112 HydrophobicContact CD2-CD 4.11Å; W100-K112 HydrophobicContact CD2-CG 4.3Å; W100-K112 HydrophobicContact CE3-CB 4.27Å; W100-K112 HydrophobicContact CE3-CD 4.04Å; W100-K112 HydrophobicContact CE3-CG 3.71Å; W100-K112 HydrophobicContact CG-CD 4.17Å; W100-K112 HydrophobicContact CZ3-CG 4.19Å; W100-H113 VanDerWaalsContact CE3-C 3.41Å; W100-R114 HydrophobicContact CD2-CB 4.11Å; W100-R114 HydrophobicContact CD2-CG 3.93Å; W100-R114 VanDerWaalsContact CE2-CD 3.41Å; W100-R114 HydrophobicContact CE3-CB 3.94Å; W100-R114 HydrophobicContact CE3-CG 3.79Å; W100-R114 HydrophobicContact CH2-CG 3.8Å; W100-R114 HydrophobicContact CZ2-CG 3.93Å; W100-R114 HydrophobicContact CZ3-CB 4.3Å; W100-R114 HydrophobicContact CZ3-CG 3.73Å; W100-E150 HydrophobicContact CH2-CB 4.11Å; W100-E150 HydrophobicContact CH2-CG 3.78Å; W100-E150 WeakPolarHBondContact CZ3-O 3.25Å; W100-A152 HydrophobicContact CH2-CB 3.52Å; W100-A152 HydrophobicContact CZ2-CB 4.14Å; W100-A152 HydrophobicContact CZ3-CB 3.73Å |
| 101 | S | 95.9 | Very high | 91.1 | Very high | 37 Ų | 37 | 69.9 Ų | 69.9 | 26% | 0.259 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 163.7 | 167.2 | 62 | 0 | 0 | 0 | 0 | 110.9 | S99 H113 | S99-S101 PolarHBondContact O-N 3.4Å; S101-H113 WeakPolarHBondContact CB-O 3.3Å; S101-H113 PolarHBondContact N-O 3.23Å; S101-H113 PolarHBondContact OG-CE1 3.03Å; S101-H113 VanDerWaalsContact OG-CE1 3.23Å; S101-H113 PolarHBondContact OG-N 3.46Å; S101-H113 PolarHBondContact OG-ND1 3.2Å; S101-H113 VanDerWaalsContact OG-ND1 3.08Å; S101-H113 PolarHBondContact OG-O 2.04Å; S101-H113 VanDerWaalsContact OG-O 3.05Å |
| 102 | K | 93.4 | Very high | 91.2 | Very high | 194 Ų | 194 | 71.4 Ų | 71.4 | 84% | 0.843 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 154.1 | 166.7 | -62.6 | -178 | -178.4 | 178.8 | 0 | 109 | T104 | K102-T104 PolarHBondContact O-N 2.85Š|
| 103 | C | 91.4 | Very high | 91.3 | Very high | 53 Ų | 53 | 75.7 Ų | 75.7 | 36% | 0.358 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 138.2 | 170.2 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | T105 T110 C154 | C103-T105 WeakPolarHBondContact CB-O 3.42Å; C103-T105 PolarHBondContact O-N 3.34Å; C103-T110 HydrophobicContact CB-CG2 3.88Å; C103-C154 VanDerWaalsContact CA-SG 3.59Å; C103-C154 HydrophobicContact CB-CB 3.98Å; C103-C154 WeakPolarHBondContact CB-SG 3.35Å; C103-C154 WeakPolarHBondContact SG-CB 3.28Å; C103-C154 CovalentContact SG-SG 2.03Å; C103-C154 PolarHBondContact SG-SG 3.09Å |
| 104 | T | 88.4 | Confident | 91.5 | Very high | 109 Ų | 109 | 76.3 Ų | 76.3 | 67% | 0.669 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -57.8 | -37.8 | -179.6 | -48 | 0 | 0 | 0 | 0 | 112.2 | K102 T110 E111 | K102-T104 PolarHBondContact O-N 2.85Å; T104-T110 WeakPolarHBondContact CB-OG1 3.43Å; T104-T110 PolarHBondContact N-OG1 3.4Å; T104-T110 VanDerWaalsContact N-OG1 3.15Å; T104-E111 PolarHBondContact N-O 3.43Å; T104-E111 VanDerWaalsContact N-O 3.15Å; T104-E111 PolarHBondContact OG1-O 2.82Å |
| 105 | T | 83.4 | Confident | 91.6 | Very high | 65 Ų | 65 | 76.9 Ų | 76.9 | 40% | 0.399 | 41% | 0.407 | S | S | . | . | trans | -136.7 | 169.6 | 176.1 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | C103 C107 T110 | C103-T105 WeakPolarHBondContact CB-O 3.42Å; C103-T105 PolarHBondContact O-N 3.34Å; T105-C107 PolarHBondContact OG1-O 2.93Å; T105-T110 PolarHBondContact N-OG1 3.31Å; T105-T110 VanDerWaalsContact N-OG1 3.11Å; T105-T110 WeakPolarHBondContact O-CG2 3.29Å; T105-T110 VanDerWaalsContact OG1-CB 3.31Å; T105-T110 WeakPolarHBondContact OG1-CB 3.42Å | ||
| 106 | T | 83.6 | Confident | 91.8 | Very high | 126 Ų | 126 | 77 Ų | 77 | 77% | 0.773 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -100.6 | 4.7 | 177.6 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 107 | C | 84.7 | Confident | 91.8 | Very high | 27 Ų | 27 | 78.6 Ų | 78.6 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -146.4 | 165.2 | 178.8 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | T105 R158 C160 | T105-C107 PolarHBondContact OG1-O 2.93Å; C107-R158 CarbonylContact C-O 3.55Å; C107-R158 WeakPolarHBondContact CA-O 3.38Å; C107-R158 HydrophobicContact CB-CG 4.31Å; C107-R158 WeakPolarHBondContact CB-O 3.14Å; C107-C160 HydrophobicContact CB-CB 3.96Å; C107-C160 WeakPolarHBondContact CB-SG 3.37Å; C107-C160 PolarHBondContact O-SG 2.98Å; C107-C160 WeakPolarHBondContact SG-CA 3.27Å; C107-C160 WeakPolarHBondContact SG-CB 3.28Å; C107-C160 CovalentContact SG-SG 2.05Å; C107-C160 PolarHBondContact SG-SG 2.79Å |
| 108 | G | 80 | Confident | 91.7 | Very high | 7 Ų | 7 | 77 Ų | 77 | 7% | 0.072 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 74.3 | -164.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T110 V156 R158 C160 | G108-T110 PolarHBondContact O-N 3.35Å; G108-V156 WeakPolarHBondContact O-CG2 3.2Å; G108-R158 PolarHBondContact N-O 2.7Å; G108-C160 PolarHBondContact N-SG 2.93Å |
| 109 | F | 80.7 | Confident | 91.6 | Very high | 193 Ų | 193 | 76.7 Ų | 76.7 | 85% | 0.846 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -87.6 | 100 | 173.1 | -60.8 | -79.6 | 0 | 0 | 0 | 108.5 | L159 | F109-L159 HydrophobicContact CE2-CD2 4.05Å; F109-L159 HydrophobicContact CZ-CD2 4.37Å |
| 110 | T | 86.9 | Confident | 91.5 | Very high | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | trans | -113.1 | 154.5 | 179.7 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | C103 T104 T105 G108 C154 V156 | C103-T110 HydrophobicContact CB-CG2 3.88Å; T104-T110 WeakPolarHBondContact CB-OG1 3.43Å; T104-T110 PolarHBondContact N-OG1 3.4Å; T104-T110 VanDerWaalsContact N-OG1 3.15Å; T105-T110 PolarHBondContact N-OG1 3.31Å; T105-T110 VanDerWaalsContact N-OG1 3.11Å; T105-T110 WeakPolarHBondContact O-CG2 3.29Å; T105-T110 VanDerWaalsContact OG1-CB 3.31Å; T105-T110 WeakPolarHBondContact OG1-CB 3.42Å; G108-T110 PolarHBondContact O-N 3.35Å; T110-C154 HydrophobicContact CG2-CB 3.47Å; T110-C154 VanDerWaalsContact CG2-CB 3.47Å; T110-C154 PolarHBondContact O-N 3.38Å; T110-V156 HydrophobicContact CG2-CG1 4.43Å; T110-V156 HydrophobicContact CG2-CG2 3.39Å | ||
| 111 | E | 92 | Very high | 91.3 | Very high | 97 Ų | 97 | 68.1 Ų | 68.1 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 161.8 | 176.3 | -57.7 | -179.1 | 141.9 | 0 | 0 | 110.6 | T104 K151 A152 | T104-E111 PolarHBondContact N-O 3.43Å; T104-E111 VanDerWaalsContact N-O 3.15Å; T104-E111 PolarHBondContact OG1-O 2.82Å; E111-K151 IonicContact OE2-NZ 3.35Å; E111-A152 CarbonylContact C-O 3.54Å; E111-A152 VanDerWaalsContact CA-O 3.27Å; E111-A152 WeakPolarHBondContact CA-O 3.45Å |
| 112 | K | 94.4 | Very high | 91 | Very high | 58 Ų | 58 | 67.8 Ų | 67.8 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 158.2 | 160.4 | 57.8 | -179.6 | -175.5 | -179.5 | 0 | 108 | W100 K151 A152 | W100-K112 HydrophobicContact CB-CD 4.13Å; W100-K112 HydrophobicContact CD2-CD 4.11Å; W100-K112 HydrophobicContact CD2-CG 4.3Å; W100-K112 HydrophobicContact CE3-CB 4.27Å; W100-K112 HydrophobicContact CE3-CD 4.04Å; W100-K112 HydrophobicContact CE3-CG 3.71Å; W100-K112 HydrophobicContact CG-CD 4.17Å; W100-K112 HydrophobicContact CZ3-CG 4.19Å; K112-K151 WeakPolarHBondContact O-CA 3.12Å; K112-A152 HydrophobicContact CG-CB 4.14Å; K112-A152 WeakPolarHBondContact CG-O 3.39Å; K112-A152 PolarHBondContact N-O 3.31Å; K112-A152 PolarHBondContact O-N 3.29Å |
| 113 | H | 96.5 | Very high | 90.8 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 157.3 | -178.7 | 61.4 | -90.9 | 0 | 0 | 0 | 111.9 | W100 S101 E150 | W100-H113 VanDerWaalsContact CE3-C 3.41Å; S101-H113 WeakPolarHBondContact CB-O 3.3Å; S101-H113 PolarHBondContact N-O 3.23Å; S101-H113 PolarHBondContact OG-CE1 3.03Å; S101-H113 VanDerWaalsContact OG-CE1 3.23Å; S101-H113 PolarHBondContact OG-N 3.46Å; S101-H113 PolarHBondContact OG-ND1 3.2Å; S101-H113 VanDerWaalsContact OG-ND1 3.08Å; S101-H113 PolarHBondContact OG-O 2.04Å; S101-H113 VanDerWaalsContact OG-O 3.05Å; H113-E150 CarbonylContact C-O 3.41Å; H113-E150 WeakPolarHBondContact CA-O 3.41Å |
| 114 | R | 98.1 | Very high | 90.1 | Very high | 57 Ų | 57 | 64.4 Ų | 64.4 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 159.6 | 168.5 | 60 | 178.9 | -177.4 | -174.8 | -6.5 | 109.6 | W97 W100 V149 E150 | W97-R114 HydrophobicContact CD2-CG 4.11Å; W97-R114 HydrophobicContact CE3-CB 4.22Å; W97-R114 HydrophobicContact CE3-CG 3.6Å; W97-R114 HydrophobicContact CZ3-CG 4.04Å; W97-R114 WeakPolarHBondContact CZ3-O 3.38Å; W100-R114 HydrophobicContact CD2-CB 4.11Å; W100-R114 HydrophobicContact CD2-CG 3.93Å; W100-R114 VanDerWaalsContact CE2-CD 3.41Å; W100-R114 HydrophobicContact CE3-CB 3.94Å; W100-R114 HydrophobicContact CE3-CG 3.79Å; W100-R114 HydrophobicContact CH2-CG 3.8Å; W100-R114 HydrophobicContact CZ2-CG 3.93Å; W100-R114 HydrophobicContact CZ3-CB 4.3Å; W100-R114 HydrophobicContact CZ3-CG 3.73Å; R114-V149 WeakPolarHBondContact O-CA 3.45Å; R114-E150 HydrophobicContact CG-CB 4.02Å; R114-E150 IonicContact CZ-OE1 3.79Å; R114-E150 IonicContact CZ-OE2 3.8Å; R114-E150 PolarHBondContact N-O 3.48Å; R114-E150 IonicContact NE-OE1 2.66Å; R114-E150 IonicContact NE-OE2 3.98Å; R114-E150 PolarHBondContact NE-OE2 3.07Å; R114-E150 VanDerWaalsContact NH2-CD 3.35Å; R114-E150 IonicContact NH2-OE1 3.12Å; R114-E150 PolarHBondContact NH2-OE1 3.42Å; R114-E150 IonicContact NH2-OE2 3.87Å; R114-E150 PolarHBondContact NH2-OE2 3.17Å; R114-E150 PolarHBondContact O-N 3.38Å |
| 115 | S | 98.1 | Very high | 89.1 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.2 | -177.2 | 56.7 | 0 | 0 | 0 | 0 | 112 | W97 S98 R148 | W97-S115 VanDerWaalsContact CE3-C 3.45Å; S98-S115 WeakPolarHBondContact CB-O 3.37Å; S98-S115 PolarHBondContact N-O 3.15Å; S98-S115 PolarHBondContact OG-N 3.15Å; S98-S115 PolarHBondContact OG-O 3.3Å; S115-R148 VanDerWaalsContact CA-O 3.27Å; S115-R148 WeakPolarHBondContact CA-O 3.2Å |
| 116 | R | 96.9 | Very high | 88 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 17% | 0.174 | 33% | 0.332 | C | S | . | . | trans | -136.2 | 165.5 | 170 | 57.7 | -173.6 | -177.2 | 173.6 | -0.4 | 109.2 | W94 T95 W97 E147 R148 | W94-R116 VanDerWaalsContact CD1-CZ 3.46Å; W94-R116 HydrophobicContact CD2-CG 4.14Å; W94-R116 HydrophobicContact CE3-CB 4.49Å; W94-R116 HydrophobicContact CE3-CG 3.66Å; W94-R116 HydrophobicContact CZ3-CG 4.22Å; T95-R116 WeakPolarHBondContact O-CB 3.37Å; W97-R116 HydrophobicContact CD2-CB 4.17Å; W97-R116 HydrophobicContact CD2-CG 4.04Å; W97-R116 VanDerWaalsContact CE2-CD 3.42Å; W97-R116 HydrophobicContact CE3-CB 3.86Å; W97-R116 HydrophobicContact CE3-CG 3.75Å; W97-R116 HydrophobicContact CH2-CG 3.84Å; W97-R116 VanDerWaalsContact CZ2-CD 3.49Å; W97-R116 HydrophobicContact CZ2-CG 4.12Å; W97-R116 VanDerWaalsContact CZ2-CZ 3.49Å; W97-R116 HydrophobicContact CZ3-CB 4.21Å; W97-R116 HydrophobicContact CZ3-CG 3.65Å; R116-E147 PolarHBondContact NE-O 2.86Å; R116-E147 PolarHBondContact NH2-O 2.81Å; R116-E147 IonicContact NH2-OE2 3.26Å; R116-E147 PolarHBondContact NH2-OE2 3.26Å; R116-R148 PolarHBondContact N-O 2.87Å; R116-R148 WeakPolarHBondContact O-CG 3.27Å | ||
| 117 | F | 95.3 | Very high | 86.9 | Confident | 129 Ų | 129 | 69.8 Ų | 69.8 | 57% | 0.566 | 33% | 0.332 | S | S | * | . | trans | -119 | 149 | -179.2 | -59.9 | -82.1 | 0 | 0 | 0 | 110.5 | W94 T95 | W94-F117 CarbonylContact C-O 3.42Å; W94-F117 WeakPolarHBondContact CA-O 3.35Å; T95-F117 HydrophobicContact CG2-CB 4.3Å; T95-F117 WeakPolarHBondContact CG2-O 3.1Å; T95-F117 PolarHBondContact N-O 3.34Å; T95-F117 PolarHBondContact OG1-N 2.04Å; T95-F117 PolarHBondContact OG1-O 3.1Å | ||
| 118 | C | 94.6 | Very high | 85.9 | Confident | 39 Ų | 39 | 74.3 Ų | 74.3 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.9 | 169.2 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | W93 W94 C139 A140 | W93-C118 WeakPolarHBondContact O-CA 3.4Å; W94-C118 HydrophobicContact CE3-CB 4.17Å; W94-C118 HydrophobicContact CH2-CB 4.42Å; W94-C118 HydrophobicContact CZ3-CB 3.94Å; C118-C139 WeakPolarHBondContact CA-SG 3.44Å; C118-C139 HydrophobicContact CB-CB 3.65Å; C118-C139 WeakPolarHBondContact CB-SG 3.29Å; C118-C139 WeakPolarHBondContact SG-CB 3.47Å; C118-C139 PolarHBondContact SG-O 3.43Å; C118-C139 VanDerWaalsContact SG-O 3.34Å; C118-C139 CovalentContact SG-SG 2.04Å; C118-C139 PolarHBondContact SG-SG 3.16Å; C118-A140 PolarHBondContact SG-N 3.11Å |
| 119 | T | 94.4 | Very high | 85.2 | Confident | 45 Ų | 45 | 78.8 Ų | 78.8 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 161.7 | -177.9 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | P92 W93 T95 | P92-T119 CarbonylContact C-O 3.59Å; P92-T119 VanDerWaalsContact CA-O 3.28Å; P92-T119 WeakPolarHBondContact CA-O 3.11Å; W93-T119 HydrophobicContact CD2-CG2 4.01Å; W93-T119 VanDerWaalsContact CE3-O 3.28Å; W93-T119 HydrophobicContact CG-CG2 4.5Å; W93-T119 HydrophobicContact CH2-CG2 4.3Å; W93-T119 HydrophobicContact CZ2-CG2 3.7Å; W93-T119 PolarHBondContact N-O 3.26Å; W93-T119 PolarHBondContact O-N 2.75Å; T95-T119 HydrophobicContact CG2-CG2 3.62Å |
| 120 | G | 95 | Very high | 84.4 | Confident | 9 Ų | 9 | 77.7 Ų | 77.7 | 9% | 0.093 | 38% | 0.375 | C | S | . | . | trans | 125.2 | 141.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C41 G43 | C41-G120 CarbonylContact O-C 3.48Å; C41-G120 VanDerWaalsContact O-CA 3.27Å; C41-G120 WeakPolarHBondContact O-CA 3.34Å; G43-G120 CarbonylContact O-C 3.46Å; G43-G120 WeakPolarHBondContact O-CA 3.04Å; G43-G120 PolarHBondContact O-N 3.08Å | ||
| 121 | A | 94.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | -71.2 | 145.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | C41 G43 G45 L85 C90 | C41-A121 HydrophobicContact CB-CB 4.27Å; C41-A121 PolarHBondContact O-N 3.02Å; G43-A121 PolarHBondContact O-N 3.05Å; G45-A121 CarbonylContact O-C 3.57Å; G45-A121 VanDerWaalsContact O-CA 3.23Å; G45-A121 WeakPolarHBondContact O-CA 3.46Å; L85-A121 HydrophobicContact CD1-CB 3.91Å; L85-A121 HydrophobicContact CD2-CB 3.91Å; C90-A121 VanDerWaalsContact CB-O 3.25Å; C90-A121 WeakPolarHBondContact CB-O 3.44Å | ||
| 122 | L | 89.9 | Confident | 82.5 | Confident | 31 Ų | 31 | 80.2 Ų | 80.2 | 16% | 0.162 | 39% | 0.387 | C | S | . | . | trans | -139.3 | 145.9 | 173.1 | 86.4 | 96.7 | 0 | 0 | 0 | 109.5 | G45 T46 L85 P92 I135 A140 | G45-L122 PolarHBondContact O-N 3.2Å; T46-L122 WeakPolarHBondContact CA-O 3.41Å; T46-L122 WeakPolarHBondContact CG2-O 3.06Å; L85-L122 VanDerWaalsContact CD1-C 3.46Å; P92-L122 HydrophobicContact CG-CB 4.02Å; P92-L122 HydrophobicContact CG-CD2 3.89Å; L122-I135 HydrophobicContact CD1-CD1 3.59Å; L122-I135 HydrophobicContact CD1-CG1 4.06Å; L122-A140 HydrophobicContact CD2-CB 4.48Å | ||
| 123 | N | 87.2 | Confident | 81.8 | Confident | 38 Ų | 38 | 81 Ų | 81 | 20% | 0.203 | 39% | 0.394 | C | S | . | . | trans | -97.7 | 113 | 175.4 | -176.1 | -3.9 | 0 | 0 | 0 | 109.2 | L85 N125 | L85-N123 HydrophobicContact CD1-CB 4Å; L85-N123 HydrophobicContact CG-CB 4.37Å; L85-N123 WeakPolarHBondContact O-CB 3.37Å; L85-N123 PolarHBondContact O-ND2 3.24Å; L85-N123 VanDerWaalsContact O-ND2 3.15Å; N123-N125 VanDerWaalsContact OD1-CB 3.25Å; N123-N125 WeakPolarHBondContact OD1-CB 3.3Å; N123-N125 PolarHBondContact OD1-N 3.25Å | ||
| 124 | Y | 78.7 | Confident | 80.8 | Confident | 138 Ų | 138 | 78.5 Ų | 78.5 | 54% | 0.541 | 39% | 0.387 | S | S | . | . | trans | -93.2 | -1.4 | 177.3 | 63.9 | -105.2 | 0 | 0 | 0 | 113.1 | T46 N126 | T46-Y124 HydrophobicContact CG2-CD1 3.28Å; T46-Y124 HydrophobicContact CG2-CE1 3.08Å; T46-Y124 HydrophobicContact CG2-CG 4.3Å; Y124-N126 PolarHBondContact O-N 3.17Å | ||
| 125 | N | 66.6 | Low | 79.9 | Confident | 108 Ų | 108 | 78 Ų | 78 | 58% | 0.578 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -71.7 | -2.4 | -164.8 | -70.8 | -28.9 | 0 | 0 | 0 | 115.2 | N123 | N123-N125 VanDerWaalsContact OD1-CB 3.25Å; N123-N125 WeakPolarHBondContact OD1-CB 3.3Å; N123-N125 PolarHBondContact OD1-N 3.25Å |
| 126 | N | 59.7 | Low | 79.3 | Confident | 109 Ų | 109 | 79.6 Ų | 79.6 | 58% | 0.583 | 39% | 0.394 | S | S | * | . | trans | -120.3 | 87.1 | 163.9 | -76.2 | -5.2 | 0 | 0 | 0 | 107.5 | Y124 E128 V131 | Y124-N126 PolarHBondContact O-N 3.17Å; N126-E128 PolarHBondContact O-N 3.43Å; N126-V131 WeakPolarHBondContact O-CB 2.91Å; N126-V131 VanDerWaalsContact O-CG2 3.3Å; N126-V131 WeakPolarHBondContact O-CG2 2.84Å | ||
| 127 | Y | 60.5 | Low | 78.7 | Confident | 196 Ų | 196 | 83.2 Ų | 83.2 | 77% | 0.769 | 41% | 0.411 | S | S | * | . | trans | -68.9 | 56.2 | 172 | -165 | -105.2 | 0 | 0 | 0 | 110.4 | ||||
| 128 | E | 65 | Low | 78.5 | Confident | 122 Ų | 122 | 77 Ų | 77 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | trans | -98.3 | 148.8 | 175.4 | -163.7 | 178 | -175.7 | 0 | 0 | 107.3 | N126 K130 V131 K132 | N126-E128 PolarHBondContact O-N 3.43Å; E128-K130 PolarHBondContact O-N 3.08Å; E128-V131 PolarHBondContact O-N 3.41Å; E128-K132 PolarHBondContact O-N 3.23Å | ||
| 129 | S | 65.3 | Low | 78.4 | Confident | 101 Ų | 101 | 75.4 Ų | 75.4 | 71% | 0.706 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -49.7 | -33.9 | -170.5 | -165.2 | 0 | 0 | 0 | 0 | 114.2 | K132 D133 | S129-K132 WeakPolarHBondContact O-CB 3.24Å; S129-K132 PolarHBondContact O-N 2.67Å; S129-D133 PolarHBondContact O-N 2.97Å; S129-D133 VanDerWaalsContact O-N 3.09Å |
| 130 | K | 63.3 | Low | 78.3 | Confident | 170 Ų | 170 | 75.4 Ų | 75.4 | 74% | 0.739 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.1 | -39.7 | 179.9 | -69.7 | -177.2 | 179.6 | 176.3 | 0 | 114 | E128 K132 D133 S134 | E128-K130 PolarHBondContact O-N 3.08Å; K130-K132 VanDerWaalsContact C-N 3.32Å; K130-D133 PolarHBondContact O-N 3.26Å; K130-S134 PolarHBondContact O-N 2.83Å; K130-S134 VanDerWaalsContact O-N 3.14Å |
| 131 | V | 66.2 | Low | 78.1 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 22% | 0.218 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 177.8 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | N126 E128 D133 S134 I135 | N126-V131 WeakPolarHBondContact O-CB 2.91Å; N126-V131 VanDerWaalsContact O-CG2 3.3Å; N126-V131 WeakPolarHBondContact O-CG2 2.84Å; E128-V131 PolarHBondContact O-N 3.41Å; V131-D133 VanDerWaalsContact C-N 3.32Å; V131-D133 PolarHBondContact O-N 2.96Å; V131-S134 PolarHBondContact O-N 2.67Å; V131-I135 HydrophobicContact CG1-CD1 3.73Å; V131-I135 HydrophobicContact CG1-CG1 4.34Å; V131-I135 VanDerWaalsContact O-CG1 3.28Å; V131-I135 WeakPolarHBondContact O-CG1 2.98Å; V131-I135 PolarHBondContact O-N 2Å |
| 132 | K | 72.2 | Confident | 77.9 | Confident | 119 Ų | 119 | 81.8 Ų | 81.8 | 52% | 0.517 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 174 | -169.6 | 179.3 | 179.3 | -176.6 | 0 | 111.7 | E128 S129 K130 L136 | E128-K132 PolarHBondContact O-N 3.23Å; S129-K132 WeakPolarHBondContact O-CB 3.24Å; S129-K132 PolarHBondContact O-N 2.67Å; K130-K132 VanDerWaalsContact C-N 3.32Å; K132-L136 WeakPolarHBondContact O-CB 3.35Å; K132-L136 PolarHBondContact O-N 3.3Å |
| 133 | D | 80 | Confident | 78 | Confident | 74 Ų | 74 | 86.3 Ų | 86.3 | 40% | 0.396 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 178.1 | -176.3 | 64.3 | 0 | 0 | 0 | 112.7 | S129 K130 V131 L136 K137 | S129-D133 PolarHBondContact O-N 2.97Å; S129-D133 VanDerWaalsContact O-N 3.09Å; K130-D133 PolarHBondContact O-N 3.26Å; V131-D133 VanDerWaalsContact C-N 3.32Å; V131-D133 PolarHBondContact O-N 2.96Å; D133-L136 PolarHBondContact O-N 2.86Å; D133-K137 VanDerWaalsContact CG-NZ 3.25Å; D133-K137 WeakPolarHBondContact O-CB 3.38Å; D133-K137 WeakPolarHBondContact O-CG 3.45Å; D133-K137 PolarHBondContact O-N 2.89Å; D133-K137 WeakPolarHBondContact OD1-CE 3.49Å; D133-K137 IonicContact OD1-NZ 3.03Å; D133-K137 PolarHBondContact OD1-NZ 3.05Å; D133-K137 WeakPolarHBondContact OD2-CE 3.18Å; D133-K137 IonicContact OD2-NZ 3.5Å; D133-K137 PolarHBondContact OD2-NZ 3.42Å |
| 134 | S | 74.9 | Confident | 78.4 | Confident | 43 Ų | 43 | 87.4 Ų | 87.4 | 30% | 0.301 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 176.7 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | E91 K130 V131 L136 K137 S138 | E91-S134 PolarHBondContact OE2-OG 3.46Å; K130-S134 PolarHBondContact O-N 2.83Å; K130-S134 VanDerWaalsContact O-N 3.14Å; V131-S134 PolarHBondContact O-N 2.67Å; S134-L136 PolarHBondContact O-N 2.87Å; S134-K137 PolarHBondContact O-N 3.49Å; S134-S138 WeakPolarHBondContact O-CB 3.49Å; S134-S138 PolarHBondContact O-N 2.57Å |
| 135 | I | 80.6 | Confident | 79.1 | Confident | 47 Ų | 47 | 83.8 Ų | 83.8 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.2 | -66.8 | 169.1 | 0 | 0 | 0 | 110.9 | L122 V131 K137 S138 A140 S141 | L122-I135 HydrophobicContact CD1-CD1 3.59Å; L122-I135 HydrophobicContact CD1-CG1 4.06Å; V131-I135 HydrophobicContact CG1-CD1 3.73Å; V131-I135 HydrophobicContact CG1-CG1 4.34Å; V131-I135 VanDerWaalsContact O-CG1 3.28Å; V131-I135 WeakPolarHBondContact O-CG1 2.98Å; V131-I135 PolarHBondContact O-N 2Å; I135-K137 VanDerWaalsContact C-N 3.28Å; I135-K137 PolarHBondContact O-N 2.88Å; I135-S138 PolarHBondContact O-N 3.27Å; I135-S138 VanDerWaalsContact O-N 3.09Å; I135-S138 PolarHBondContact O-OG 2.89Å; I135-A140 HydrophobicContact CG2-CB 4.38Å; I135-S141 PolarHBondContact O-N 2.82Å |
| 136 | L | 83.7 | Confident | 80.5 | Confident | 72 Ų | 72 | 85.2 Ų | 85.2 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.6 | -35.6 | -179 | -172.4 | 69.6 | 0 | 0 | 0 | 112 | K132 D133 S134 S141 E143 | K132-L136 WeakPolarHBondContact O-CB 3.35Å; K132-L136 PolarHBondContact O-N 3.3Å; D133-L136 PolarHBondContact O-N 2.86Å; S134-L136 PolarHBondContact O-N 2.87Å; L136-S141 WeakPolarHBondContact O-CB 3.23Å; L136-S141 PolarHBondContact O-OG 3.17Å; L136-E143 HydrophobicContact CD1-CG 4.43Å |
| 137 | K | 85.8 | Confident | 82.3 | Confident | 121 Ų | 121 | 82.3 Ų | 82.3 | 53% | 0.526 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -79.3 | -21 | 175.2 | -71.2 | 170.9 | 179.8 | 165.5 | 0 | 113.2 | D133 S134 I135 R144 | D133-K137 VanDerWaalsContact CG-NZ 3.25Å; D133-K137 WeakPolarHBondContact O-CB 3.38Å; D133-K137 WeakPolarHBondContact O-CG 3.45Å; D133-K137 PolarHBondContact O-N 2.89Å; D133-K137 WeakPolarHBondContact OD1-CE 3.49Å; D133-K137 IonicContact OD1-NZ 3.03Å; D133-K137 PolarHBondContact OD1-NZ 3.05Å; D133-K137 WeakPolarHBondContact OD2-CE 3.18Å; D133-K137 IonicContact OD2-NZ 3.5Å; D133-K137 PolarHBondContact OD2-NZ 3.42Å; S134-K137 PolarHBondContact O-N 3.49Å; I135-K137 VanDerWaalsContact C-N 3.28Å; I135-K137 PolarHBondContact O-N 2.88Å; K137-R144 PolarHBondContact O-NH1 2.84Å |
| 138 | S | 90.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -82.3 | 170.1 | 179.6 | 81.4 | 0 | 0 | 0 | 0 | 113.4 | S134 I135 A140 S141 R144 | S134-S138 WeakPolarHBondContact O-CB 3.49Å; S134-S138 PolarHBondContact O-N 2.57Å; I135-S138 PolarHBondContact O-N 3.27Å; I135-S138 VanDerWaalsContact O-N 3.09Å; I135-S138 PolarHBondContact O-OG 2.89Å; S138-A140 PolarHBondContact O-N 3.21Å; S138-A140 VanDerWaalsContact O-N 3.11Å; S138-A140 WeakPolarHBondContact OG-CB 3.27Å; S138-A140 PolarHBondContact OG-N 2.95Å; S138-A140 VanDerWaalsContact OG-N 3.16Å; S138-S141 WeakPolarHBondContact O-CB 3.28Å; S138-S141 PolarHBondContact O-N 3.26Å; S138-S141 VanDerWaalsContact O-N 3.17Å; S138-R144 WeakPolarHBondContact O-CD 3.02Å |
| 139 | C | 93.8 | Very high | 85.6 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.034 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -12.8 | 173.9 | 64.8 | 0 | 0 | 0 | 0 | 114.4 | P92 W93 W94 C118 S141 | P92-C139 VanDerWaalsContact C-SG 3.56Å; W93-C139 VanDerWaalsContact CA-SG 3.53Å; W93-C139 PolarHBondContact N-SG 3.29Å; W93-C139 VanDerWaalsContact N-SG 3.43Å; W93-C139 PolarHBondContact O-SG 3.36Å; W94-C139 HydrophobicContact CD2-CB 3.54Å; W94-C139 HydrophobicContact CE3-CB 4.06Å; W94-C139 HydrophobicContact CG-CB 3.93Å; W94-C139 HydrophobicContact CH2-CB 4.12Å; W94-C139 HydrophobicContact CZ2-CB 3.6Å; W94-C139 HydrophobicContact CZ3-CB 4.34Å; C118-C139 WeakPolarHBondContact CA-SG 3.44Å; C118-C139 HydrophobicContact CB-CB 3.65Å; C118-C139 WeakPolarHBondContact CB-SG 3.29Å; C118-C139 WeakPolarHBondContact SG-CB 3.47Å; C118-C139 PolarHBondContact SG-O 3.43Å; C118-C139 VanDerWaalsContact SG-O 3.34Å; C118-C139 CovalentContact SG-SG 2.04Å; C118-C139 PolarHBondContact SG-SG 3.16Å; C139-S141 PolarHBondContact O-N 2.95Å |
| 140 | A | 90.8 | Very high | 87.2 | Confident | 44 Ų | 44 | 73.3 Ų | 73.3 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -13.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | P92 C118 L122 I135 S138 | P92-A140 HydrophobicContact CB-CB 4.01Å; P92-A140 HydrophobicContact CG-CB 3.88Å; C118-A140 PolarHBondContact SG-N 3.11Å; L122-A140 HydrophobicContact CD2-CB 4.48Å; I135-A140 HydrophobicContact CG2-CB 4.38Å; S138-A140 PolarHBondContact O-N 3.21Å; S138-A140 VanDerWaalsContact O-N 3.11Å; S138-A140 WeakPolarHBondContact OG-CB 3.27Å; S138-A140 PolarHBondContact OG-N 2.95Å; S138-A140 VanDerWaalsContact OG-N 3.16Å |
| 141 | S | 91.2 | Very high | 88.7 | Confident | 7 Ų | 7 | 71.9 Ų | 71.9 | 5% | 0.049 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -62.3 | 134.3 | 171.6 | -179 | 0 | 0 | 0 | 0 | 111.9 | I135 L136 S138 C139 E143 R144 | I135-S141 PolarHBondContact O-N 2.82Å; L136-S141 WeakPolarHBondContact O-CB 3.23Å; L136-S141 PolarHBondContact O-OG 3.17Å; S138-S141 WeakPolarHBondContact O-CB 3.28Å; S138-S141 PolarHBondContact O-N 3.26Å; S138-S141 VanDerWaalsContact O-N 3.17Å; C139-S141 PolarHBondContact O-N 2.95Å; S141-E143 PolarHBondContact O-N 3.38Å; S141-E143 PolarHBondContact OG-N 3.49Å; S141-R144 PolarHBondContact O-N 3.2Å |
| 142 | I | 90.8 | Very high | 90.1 | Very high | 137 Ų | 137 | 71.4 Ų | 71.4 | 70% | 0.703 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -57.5 | -33.5 | 172 | -169 | 85.1 | 0 | 0 | 0 | 111.3 | R144 I145 | I142-R144 PolarHBondContact O-N 2.97Å; I142-I145 HydrophobicContact CB-CD1 4.45Å; I142-I145 HydrophobicContact CD1-CD1 3.33Å; I142-I145 HydrophobicContact CG1-CD1 3.98Å; I142-I145 WeakPolarHBondContact O-CB 3.41Å; I142-I145 WeakPolarHBondContact O-CG1 2.98Å; I142-I145 PolarHBondContact O-N 3.24Å |
| 143 | E | 92.2 | Very high | 90.9 | Very high | 125 Ų | 125 | 69.9 Ų | 69.9 | 58% | 0.584 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -64.9 | -29.2 | -177.6 | -60.4 | 177.8 | 172.8 | 0 | 0 | 111.7 | L136 S141 H146 | L136-E143 HydrophobicContact CD1-CG 4.43Å; S141-E143 PolarHBondContact O-N 3.38Å; S141-E143 PolarHBondContact OG-N 3.49Å; E143-H146 PolarHBondContact O-CE1 2.98Å; E143-H146 PolarHBondContact O-ND1 2.83Å |
| 144 | R | 94.5 | Very high | 91.3 | Very high | 61 Ų | 61 | 66.7 Ų | 66.7 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -93.7 | 4.4 | -177.3 | -62.6 | -171.9 | 65.8 | -165.1 | -1.6 | 114 | W94 K137 S138 S141 I142 H146 E147 | W94-R144 WeakPolarHBondContact CZ2-O 2.93Å; K137-R144 PolarHBondContact O-NH1 2.84Å; S138-R144 WeakPolarHBondContact O-CD 3.02Å; S141-R144 PolarHBondContact O-N 3.2Å; I142-R144 PolarHBondContact O-N 2.97Å; R144-H146 PolarHBondContact O-N 3.34Å; R144-H146 VanDerWaalsContact O-N 3.14Å; R144-E147 IonicContact CZ-OE1 2.78Å; R144-E147 IonicContact CZ-OE2 3.02Å; R144-E147 VanDerWaalsContact NE-CD 3.35Å; R144-E147 IonicContact NE-OE1 3.08Å; R144-E147 PolarHBondContact NE-OE1 2.97Å; R144-E147 IonicContact NE-OE2 2.83Å; R144-E147 PolarHBondContact NE-OE2 3.04Å; R144-E147 IonicContact NH2-OE1 3.94Å; R144-E147 PolarHBondContact NH2-OE1 2.77Å; R144-E147 IonicContact NH2-OE2 2.7Å; R144-E147 PolarHBondContact NH2-OE2 2.01Å; R144-E147 WeakPolarHBondContact O-CB 3.39Å; R144-E147 PolarHBondContact O-N 2.85Å |
| 145 | I | 94.9 | Very high | 91.5 | Very high | 63 Ų | 63 | 70.8 Ų | 70.8 | 32% | 0.323 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -58.4 | -31.1 | -178.6 | -74.8 | 178.8 | 0 | 0 | 0 | 112.9 | I142 E147 R148 | I142-I145 HydrophobicContact CB-CD1 4.45Å; I142-I145 HydrophobicContact CD1-CD1 3.33Å; I142-I145 HydrophobicContact CG1-CD1 3.98Å; I142-I145 WeakPolarHBondContact O-CB 3.41Å; I142-I145 WeakPolarHBondContact O-CG1 2.98Å; I142-I145 PolarHBondContact O-N 3.24Å; I145-E147 PolarHBondContact O-N 2.04Å; I145-R148 WeakPolarHBondContact O-CB 3.25Å; I145-R148 PolarHBondContact O-N 3Å; I145-R148 VanDerWaalsContact O-N 3.14Å |
| 146 | H | 95.9 | Very high | 91.2 | Very high | 138 Ų | 138 | 70.8 Ų | 70.8 | 64% | 0.639 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -64 | -26.9 | 178.8 | 64.5 | -84.4 | 0 | 0 | 0 | 112.9 | E143 R144 R148 V149 | E143-H146 PolarHBondContact O-CE1 2.98Å; E143-H146 PolarHBondContact O-ND1 2.83Å; R144-H146 PolarHBondContact O-N 3.34Å; R144-H146 VanDerWaalsContact O-N 3.14Å; H146-R148 PolarHBondContact O-N 3.31Å; H146-V149 PolarHBondContact O-N 2.89Å |
| 147 | E | 96.6 | Very high | 90.7 | Very high | 48 Ų | 48 | 73.5 Ų | 73.5 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -72.8 | -3 | 176.6 | -54.1 | 177.1 | -161.5 | 0 | 0 | 113.9 | W94 W97 R116 R144 I145 V149 | W94-E147 HydrophobicContact CZ2-CB 3.8Å; W94-E147 PolarHBondContact NE1-OE2 2.77Å; W97-E147 VanDerWaalsContact CH2-O 3.25Å; W97-E147 WeakPolarHBondContact CH2-O 3.09Å; R116-E147 PolarHBondContact NE-O 2.86Å; R116-E147 PolarHBondContact NH2-O 2.81Å; R116-E147 IonicContact NH2-OE2 3.26Å; R116-E147 PolarHBondContact NH2-OE2 3.26Å; R144-E147 IonicContact CZ-OE1 2.78Å; R144-E147 IonicContact CZ-OE2 3.02Å; R144-E147 VanDerWaalsContact NE-CD 3.35Å; R144-E147 IonicContact NE-OE1 3.08Å; R144-E147 PolarHBondContact NE-OE1 2.97Å; R144-E147 IonicContact NE-OE2 2.83Å; R144-E147 PolarHBondContact NE-OE2 3.04Å; R144-E147 IonicContact NH2-OE1 3.94Å; R144-E147 PolarHBondContact NH2-OE1 2.77Å; R144-E147 IonicContact NH2-OE2 2.7Å; R144-E147 PolarHBondContact NH2-OE2 2.01Å; R144-E147 WeakPolarHBondContact O-CB 3.39Å; R144-E147 PolarHBondContact O-N 2.85Å; I145-E147 PolarHBondContact O-N 2.04Å; E147-V149 VanDerWaalsContact C-N 3.26Å |
| 148 | R | 97.9 | Very high | 90.3 | Very high | 92 Ų | 92 | 75.8 Ų | 75.8 | 35% | 0.347 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -66.5 | -30.3 | 175.7 | -170.7 | 179.6 | -77.3 | 140.8 | 2.4 | 112 | W94 W97 S115 R116 I145 H146 | W94-R148 HydrophobicContact CH2-CB 3.93Å; W94-R148 HydrophobicContact CZ3-CB 4.06Å; W94-R148 HydrophobicContact CZ3-CG 4.21Å; W97-R148 WeakPolarHBondContact CZ3-O 3.03Å; S115-R148 VanDerWaalsContact CA-O 3.27Å; S115-R148 WeakPolarHBondContact CA-O 3.2Å; R116-R148 PolarHBondContact N-O 2.87Å; R116-R148 WeakPolarHBondContact O-CG 3.27Å; I145-R148 WeakPolarHBondContact O-CB 3.25Å; I145-R148 PolarHBondContact O-N 3Å; I145-R148 VanDerWaalsContact O-N 3.14Å; H146-R148 PolarHBondContact O-N 3.31Å |
| 149 | V | 98 | Very high | 89.8 | Confident | 74 Ų | 74 | 81.5 Ų | 81.5 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.5 | -174.9 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | R114 H146 E147 | R114-V149 WeakPolarHBondContact O-CA 3.45Å; H146-V149 PolarHBondContact O-N 2.89Å; E147-V149 VanDerWaalsContact C-N 3.26Å |
| 150 | E | 97.7 | Very high | 89.1 | Confident | 64 Ų | 64 | 82.7 Ų | 82.7 | 30% | 0.299 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.1 | 172 | -168.2 | -173.3 | 152.2 | 0 | 0 | 109.2 | W97 W100 H113 R114 | W97-E150 HydrophobicContact CH2-CB 3.67Å; W97-E150 HydrophobicContact CZ2-CB 4.14Å; W97-E150 HydrophobicContact CZ3-CB 4Å; W100-E150 HydrophobicContact CH2-CB 4.11Å; W100-E150 HydrophobicContact CH2-CG 3.78Å; W100-E150 WeakPolarHBondContact CZ3-O 3.25Å; H113-E150 CarbonylContact C-O 3.41Å; H113-E150 WeakPolarHBondContact CA-O 3.41Å; R114-E150 HydrophobicContact CG-CB 4.02Å; R114-E150 IonicContact CZ-OE1 3.79Å; R114-E150 IonicContact CZ-OE2 3.8Å; R114-E150 PolarHBondContact N-O 3.48Å; R114-E150 IonicContact NE-OE1 2.66Å; R114-E150 IonicContact NE-OE2 3.98Å; R114-E150 PolarHBondContact NE-OE2 3.07Å; R114-E150 VanDerWaalsContact NH2-CD 3.35Å; R114-E150 IonicContact NH2-OE1 3.12Å; R114-E150 PolarHBondContact NH2-OE1 3.42Å; R114-E150 IonicContact NH2-OE2 3.87Å; R114-E150 PolarHBondContact NH2-OE2 3.17Å; R114-E150 PolarHBondContact O-N 3.38Å |
| 151 | K | 95.2 | Very high | 88.9 | Confident | 139 Ų | 139 | 84.6 Ų | 84.6 | 60% | 0.604 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139.1 | 175.2 | -63.5 | -177.4 | 176.6 | -168.9 | 0 | 109.2 | E111 K112 | E111-K151 IonicContact OE2-NZ 3.35Å; K112-K151 WeakPolarHBondContact O-CA 3.12Å |
| 152 | A | 94.3 | Very high | 88.8 | Confident | 27 Ų | 27 | 87 Ų | 87 | 22% | 0.223 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | W100 E111 K112 | W100-A152 HydrophobicContact CH2-CB 3.52Å; W100-A152 HydrophobicContact CZ2-CB 4.14Å; W100-A152 HydrophobicContact CZ3-CB 3.73Å; E111-A152 CarbonylContact C-O 3.54Å; E111-A152 VanDerWaalsContact CA-O 3.27Å; E111-A152 WeakPolarHBondContact CA-O 3.45Å; K112-A152 HydrophobicContact CG-CB 4.14Å; K112-A152 WeakPolarHBondContact CG-O 3.39Å; K112-A152 PolarHBondContact N-O 3.31Å; K112-A152 PolarHBondContact O-N 3.29Å |
| 153 | S | 90.9 | Very high | 88.7 | Confident | 86 Ų | 86 | 83.8 Ų | 83.8 | 60% | 0.601 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 144.3 | 170.9 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 154 | C | 87.4 | Confident | 88.9 | Confident | 7 Ų | 7 | 82.1 Ų | 82.1 | 5% | 0.047 | 45% | 0.447 | C | S | . | . | trans | -90.6 | 139.3 | 170.1 | -75.1 | 0 | 0 | 0 | 0 | 110.5 | C103 T110 V156 | C103-C154 VanDerWaalsContact CA-SG 3.59Å; C103-C154 HydrophobicContact CB-CB 3.98Å; C103-C154 WeakPolarHBondContact CB-SG 3.35Å; C103-C154 WeakPolarHBondContact SG-CB 3.28Å; C103-C154 CovalentContact SG-SG 2.03Å; C103-C154 PolarHBondContact SG-SG 3.09Å; T110-C154 HydrophobicContact CG2-CB 3.47Å; T110-C154 VanDerWaalsContact CG2-CB 3.47Å; T110-C154 PolarHBondContact O-N 3.38Å; C154-V156 HydrophobicContact CB-CG2 4.24Å; C154-V156 PolarHBondContact O-N 2.98Å | ||
| 155 | P | 79.7 | Confident | 89 | Confident | 129 Ų | 129 | 80 Ų | 80 | 84% | 0.838 | 44% | 0.444 | S | S | * | . | trans | -78.1 | 70.9 | 174.3 | 33.8 | -34.8 | 0 | 0 | 0 | 109.9 | ||||
| 156 | V | 74.2 | Confident | 89.1 | Confident | 47 Ų | 47 | 77.9 Ų | 77.9 | 29% | 0.285 | 44% | 0.438 | S | S | . | . | trans | -95.3 | 122.1 | 170.7 | -94.9 | 0 | 0 | 0 | 0 | 108.7 | G108 T110 C154 | G108-V156 WeakPolarHBondContact O-CG2 3.2Å; T110-V156 HydrophobicContact CG2-CG1 4.43Å; T110-V156 HydrophobicContact CG2-CG2 3.39Å; C154-V156 HydrophobicContact CB-CG2 4.24Å; C154-V156 PolarHBondContact O-N 2.98Å | ||
| 157 | S | 72.3 | Confident | 89.2 | Confident | 130 Ų | 130 | 73.8 Ų | 73.8 | 91% | 0.909 | 42% | 0.417 | S | S | * | . | trans | -86.1 | -11 | -178 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 158 | R | 78.6 | Confident | 89.2 | Confident | 168 Ų | 168 | 72 Ų | 72 | 63% | 0.634 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -101.6 | 118.2 | -174.8 | -179.2 | 175.2 | 178.4 | 179.5 | 0.7 | 109.7 | C107 G108 | C107-R158 CarbonylContact C-O 3.55Å; C107-R158 WeakPolarHBondContact CA-O 3.38Å; C107-R158 HydrophobicContact CB-CG 4.31Å; C107-R158 WeakPolarHBondContact CB-O 3.14Å; G108-R158 PolarHBondContact N-O 2.7Å |
| 159 | L | 78.2 | Confident | 89.2 | Confident | 121 Ų | 121 | 79.2 Ų | 79.2 | 63% | 0.634 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 143.3 | 165.7 | -66.9 | 173.6 | 0 | 0 | 0 | 110 | F109 | F109-L159 HydrophobicContact CE2-CD2 4.05Å; F109-L159 HydrophobicContact CZ-CD2 4.37Å |
| 160 | C | 80.7 | Confident | 89.2 | Confident | 29 Ų | 29 | 78.8 Ų | 78.8 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 146.8 | 173.5 | -68.8 | 0 | 0 | 0 | 0 | 110.3 | C107 G108 A162 E198 | C107-C160 HydrophobicContact CB-CB 3.96Å; C107-C160 WeakPolarHBondContact CB-SG 3.37Å; C107-C160 PolarHBondContact O-SG 2.98Å; C107-C160 WeakPolarHBondContact SG-CA 3.27Å; C107-C160 WeakPolarHBondContact SG-CB 3.28Å; C107-C160 CovalentContact SG-SG 2.05Å; C107-C160 PolarHBondContact SG-SG 2.79Å; G108-C160 PolarHBondContact N-SG 2.93Å; C160-A162 PolarHBondContact O-N 3.4Å; C160-E198 HydrophobicContact CB-CB 4.18Å; C160-E198 HydrophobicContact CB-CG 3.7Å |
| 161 | S | 85.7 | Confident | 89.2 | Confident | 84 Ų | 84 | 78.5 Ų | 78.5 | 59% | 0.587 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 129.2 | 173.6 | -62.9 | 0 | 0 | 0 | 0 | 109.2 | I163 | S161-I163 PolarHBondContact O-N 3.35Š|
| 162 | A | 88.4 | Confident | 89.3 | Confident | 59 Ų | 59 | 79.8 Ų | 79.8 | 49% | 0.488 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 134.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | C160 | C160-A162 PolarHBondContact O-N 3.4Š|
| 163 | I | 89.9 | Confident | 89.4 | Confident | 68 Ų | 68 | 80.4 Ų | 80.4 | 35% | 0.349 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -108.4 | 112.6 | 174.2 | -58.1 | 179.6 | 0 | 0 | 0 | 107.6 | S161 P194 P196 Q197 G200 | S161-I163 PolarHBondContact O-N 3.35Å; I163-P194 HydrophobicContact CG2-CB 4.24Å; I163-P194 HydrophobicContact CG2-CG 3.56Å; I163-P196 CarbonylContact O-C 3.58Å; I163-P196 VanDerWaalsContact O-CA 3.24Å; I163-P196 WeakPolarHBondContact O-CA 3.05Å; I163-Q197 HydrophobicContact CB-CB 4.17Å; I163-Q197 HydrophobicContact CD1-CB 4.48Å; I163-Q197 PolarHBondContact N-O 3.32Å; I163-Q197 VanDerWaalsContact N-O 3.08Å; I163-Q197 PolarHBondContact O-N 3.14Å; I163-G200 WeakPolarHBondContact O-CA 3.44Å |
| 164 | N | 94.8 | Very high | 89.7 | Confident | 90 Ų | 90 | 79.8 Ų | 79.8 | 48% | 0.481 | 43% | 0.432 | S | S | . | . | trans | -70.6 | 146.9 | 175.5 | -66 | -23.4 | 0 | 0 | 0 | 110.8 | L201 | N164-L201 PolarHBondContact OD1-N 2.99Š| ||
| 165 | G | 96.7 | Very high | 89.9 | Confident | 17 Ų | 17 | 87.7 Ų | 87.7 | 18% | 0.175 | 47% | 0.469 | C | S | . | . | trans | -64.2 | 134.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | P194 L201 C203 | G165-P194 WeakPolarHBondContact CA-O 3.28Å; G165-L201 PolarHBondContact N-O 3.02Å; G165-C203 PolarHBondContact O-SG 3.02Å; G165-C203 VanDerWaalsContact O-SG 3.38Å | ||
| 166 | G | 97.6 | Very high | 90.5 | Very high | 19 Ų | 19 | 82.9 Ų | 82.9 | 20% | 0.196 | 44% | 0.438 | C | S | . | . | trans | -109.9 | 142.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G168 N192 H193 P194 C203 | G166-G168 PolarHBondContact O-N 3Å; G166-N192 PolarHBondContact O-N 2.84Å; G166-H193 CarbonylContact C-O 3.56Å; G166-H193 VanDerWaalsContact CA-O 3.23Å; G166-H193 WeakPolarHBondContact CA-O 3.43Å; G166-H193 CarbonylContact O-C 3.59Å; G166-H193 WeakPolarHBondContact O-CA 3.39Å; G166-H193 PolarHBondContact O-N 3.27Å; G166-P194 PolarHBondContact N-O 2.7Å; G166-C203 PolarHBondContact N-SG 3.33Å; G166-C203 PolarHBondContact O-SG 3.22Å; G166-C203 VanDerWaalsContact O-SG 3.4Å | ||
| 167 | W | 98.2 | Very high | 91.3 | Very high | 52 Ų | 52 | 84.3 Ų | 84.3 | 20% | 0.197 | 45% | 0.45 | C | S | . | . | B | Isolated β-bridge | trans | -67.7 | 128.8 | 176.4 | -75.8 | 115.9 | 0 | 0 | 0 | 110.5 | R189 C191 Y202 C203 L204 G205 D207 | W167-R189 VanDerWaalsContact CD1-NH1 3.25Å; W167-R189 VanDerWaalsContact CD2-CD 3.44Å; W167-R189 HydrophobicContact CD2-CG 4.01Å; W167-R189 VanDerWaalsContact CD2-CZ 3.47Å; W167-R189 VanDerWaalsContact CE2-CZ 3.43Å; W167-R189 HydrophobicContact CE3-CB 4.23Å; W167-R189 VanDerWaalsContact CE3-CD 3.45Å; W167-R189 HydrophobicContact CE3-CG 3.46Å; W167-R189 VanDerWaalsContact CE3-CG 3.46Å; W167-R189 HydrophobicContact CZ3-CG 3.81Å; W167-R189 VanDerWaalsContact NE1-CZ 3.31Å; W167-R189 VanDerWaalsContact NE1-NH2 3.13Å; W167-C191 HydrophobicContact CE3-CB 4.17Å; W167-C191 HydrophobicContact CH2-CB 4.47Å; W167-C191 HydrophobicContact CZ3-CB 3.96Å; W167-Y202 HydrophobicContact CH2-CE1 4.2Å; W167-C203 HydrophobicContact CD2-CB 3.58Å; W167-C203 HydrophobicContact CE3-CB 4.08Å; W167-C203 HydrophobicContact CG-CB 4.06Å; W167-C203 HydrophobicContact CH2-CB 3.96Å; W167-C203 HydrophobicContact CZ2-CB 3.43Å; W167-C203 VanDerWaalsContact CZ2-CB 3.43Å; W167-C203 HydrophobicContact CZ3-CB 4.26Å; W167-L204 PolarHBondContact NE1-O 3.25Å; W167-G205 WeakPolarHBondContact CZ2-O 3.14Å; W167-D207 HydrophobicContact CH2-CB 3.65Å; W167-D207 HydrophobicContact CZ3-CB 3.75Å |
| 168 | G | 97.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 80.7 Ų | 80.7 | 9% | 0.093 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 171.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G166 H190 | G166-G168 PolarHBondContact O-N 3Å; G168-H190 PolarHBondContact N-O 2.91Å |
| 169 | R | 97.5 | Very high | 92.5 | Very high | 244 Ų | 244 | 79 Ų | 79 | 92% | 0.921 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 146.8 | 173.3 | -64.8 | -176.2 | 180 | 178.7 | 0 | 109.8 | ||
| 170 | W | 98 | Very high | 93 | Very high | 65 Ų | 65 | 75.6 Ų | 75.6 | 25% | 0.246 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 146 | 165.3 | -71.3 | 101.9 | 0 | 0 | 0 | 110 | R187 R188 R189 D207 Q209 | W170-R187 HydrophobicContact CD2-CG 4.28Å; W170-R187 HydrophobicContact CE3-CB 4.37Å; W170-R187 HydrophobicContact CE3-CG 3.71Å; W170-R187 HydrophobicContact CZ3-CG 4.22Å; W170-R188 CarbonylContact C-O 3.58Å; W170-R189 HydrophobicContact CD2-CB 3.86Å; W170-R189 HydrophobicContact CD2-CG 3.86Å; W170-R189 VanDerWaalsContact CE2-CD 3.4Å; W170-R189 HydrophobicContact CE3-CB 3.74Å; W170-R189 HydrophobicContact CE3-CG 3.7Å; W170-R189 HydrophobicContact CG-CB 4.3Å; W170-R189 HydrophobicContact CH2-CG 3.72Å; W170-R189 VanDerWaalsContact CZ2-CD 3.42Å; W170-R189 HydrophobicContact CZ2-CG 3.89Å; W170-R189 VanDerWaalsContact CZ2-CZ 3.46Å; W170-R189 HydrophobicContact CZ3-CB 4.17Å; W170-R189 HydrophobicContact CZ3-CG 3.64Å; W170-D207 VanDerWaalsContact CZ3-O 3.26Å; W170-D207 WeakPolarHBondContact CZ3-O 3.31Å; W170-Q209 HydrophobicContact CH2-CB 3.87Å; W170-Q209 HydrophobicContact CZ2-CB 4.47Å; W170-Q209 HydrophobicContact CZ3-CB 3.97Å |
| 171 | S | 97.9 | Very high | 93.4 | Very high | 58 Ų | 58 | 76.1 Ų | 76.1 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 161.6 | 161.7 | 72.9 | 0 | 0 | 0 | 0 | 109.4 | R188 | S171-R188 WeakPolarHBondContact CB-O 3.47Å; S171-R188 PolarHBondContact N-O 3.45Å; S171-R188 PolarHBondContact OG-N 3.29Å; S171-R188 PolarHBondContact OG-O 3.39Å |
| 172 | E | 97.5 | Very high | 93.7 | Very high | 166 Ų | 166 | 77.6 Ų | 77.6 | 78% | 0.776 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 153.3 | 160.3 | -63.1 | -51.5 | 135.3 | 0 | 0 | 109.8 | ||
| 173 | F | 96.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 75 Ų | 75 | 18% | 0.18 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 144.6 | 168.4 | -79 | -80 | 0 | 0 | 0 | 109.6 | R185 V186 R187 V211 | F173-R185 HydrophobicContact CB-CB 4.28Å; F173-R185 HydrophobicContact CB-CG 4.14Å; F173-R185 HydrophobicContact CD1-CB 4.14Å; F173-R185 HydrophobicContact CD1-CG 3.56Å; F173-R185 HydrophobicContact CE1-CG 4.12Å; F173-R185 HydrophobicContact CG-CG 4Å; F173-R185 VanDerWaalsContact CG-NE 3.31Å; F173-V186 CarbonylContact C-O 3.56Å; F173-V186 WeakPolarHBondContact CA-O 3.44Å; F173-R187 HydrophobicContact CD1-CB 3.87Å; F173-R187 HydrophobicContact CD1-CG 3.85Å; F173-R187 HydrophobicContact CE1-CB 4.16Å; F173-R187 HydrophobicContact CE1-CG 3.6Å; F173-R187 HydrophobicContact CE2-CG 4.38Å; F173-R187 HydrophobicContact CG-CB 4.19Å; F173-R187 HydrophobicContact CG-CG 4.36Å; F173-R187 VanDerWaalsContact CZ-CD 3.43Å; F173-R187 HydrophobicContact CZ-CG 3.89Å; F173-V211 HydrophobicContact CE1-CB 4.3Å; F173-V211 HydrophobicContact CE1-CG2 3.81Å; F173-V211 HydrophobicContact CZ-CG2 3.82Å |
| 174 | T | 95.6 | Very high | 94.1 | Very high | 72 Ų | 72 | 76.3 Ų | 76.3 | 44% | 0.442 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 161.1 | 164.4 | 62.1 | 0 | 0 | 0 | 0 | 110.2 | R185 V186 | T174-R185 WeakPolarHBondContact O-CB 3.38Å; T174-V186 HydrophobicContact CG2-CG2 3.51Å; T174-V186 PolarHBondContact N-O 3.49Å; T174-V186 PolarHBondContact OG1-N 3.22Å; T174-V186 VanDerWaalsContact OG1-N 3.08Å |
| 175 | E | 92.6 | Very high | 94.1 | Very high | 174 Ų | 174 | 76.3 Ų | 76.3 | 81% | 0.813 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 152.4 | 161.4 | -66.1 | -55.9 | 147.5 | 0 | 0 | 110.5 | ||
| 176 | C | 91.7 | Very high | 94.1 | Very high | 28 Ų | 28 | 76.9 Ų | 76.9 | 19% | 0.189 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 142.5 | 176.9 | -165.2 | 0 | 0 | 0 | 0 | 110.1 | V178 K184 F215 | C176-V178 PolarHBondContact O-N 3.38Å; C176-V178 VanDerWaalsContact O-N 3.11Å; C176-V178 PolarHBondContact SG-O 3.47Å; C176-K184 WeakPolarHBondContact CA-O 3.35Å; C176-F215 HydrophobicContact CB-CD2 4.39Å; C176-F215 HydrophobicContact CB-CE2 3.36Å; C176-F215 HydrophobicContact CB-CZ 3.99Å; C176-F215 WeakPolarHBondContact SG-CE2 3.35Å |
| 177 | S | 92.3 | Very high | 94.1 | Very high | 76 Ų | 76 | 79.1 Ų | 79.1 | 53% | 0.531 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -60.9 | -20.8 | 179.2 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | K184 | S177-K184 PolarHBondContact N-O 3.38Å; S177-K184 PolarHBondContact OG-N 3.36Å |
| 178 | V | 88.6 | Confident | 94.1 | Very high | 54 Ų | 54 | 84 Ų | 84 | 33% | 0.327 | 42% | 0.423 | S | S | . | . | trans | -140.1 | 156 | 178.9 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | C176 C180 I182 F215 | C176-V178 PolarHBondContact O-N 3.38Å; C176-V178 VanDerWaalsContact O-N 3.11Å; C176-V178 PolarHBondContact SG-O 3.47Å; V178-C180 VanDerWaalsContact CG2-O 3.28Å; V178-C180 WeakPolarHBondContact CG2-O 3.45Å; V178-I182 WeakPolarHBondContact CG2-O 3.09Å; V178-F215 WeakPolarHBondContact O-CD2 3.49Å; V178-F215 WeakPolarHBondContact O-CE2 3.3Å | ||
| 179 | T | 86.2 | Confident | 94.2 | Very high | 134 Ų | 134 | 85.9 Ų | 85.9 | 82% | 0.822 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -93.8 | -14.2 | 177 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 180 | C | 88 | Confident | 94.2 | Very high | 49 Ų | 49 | 80.5 Ų | 80.5 | 33% | 0.331 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -147.3 | 157.2 | 175.3 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | V178 Q217 | V178-C180 VanDerWaalsContact CG2-O 3.28Å; V178-C180 WeakPolarHBondContact CG2-O 3.45Å; C180-Q217 HydrophobicContact CB-CG 3.46Å; C180-Q217 VanDerWaalsContact CB-CG 3.46Å; C180-Q217 PolarHBondContact SG-NE2 2.96Å |
| 181 | G | 89.6 | Confident | 94.2 | Very high | 40 Ų | 40 | 78 Ų | 78 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.5 | -146.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H214 F215 | G181-H214 WeakPolarHBondContact O-CA 3.25Å; G181-F215 PolarHBondContact N-O 3.23Å; G181-F215 PolarHBondContact O-N 3.03Å |
| 182 | I | 91.7 | Very high | 94.1 | Very high | 114 Ų | 114 | 78.5 Ų | 78.5 | 59% | 0.585 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 118.3 | -178 | -47.5 | -174 | 0 | 0 | 0 | 109.3 | V178 I212 H214 | V178-I182 WeakPolarHBondContact CG2-O 3.09Å; I182-I212 HydrophobicContact CG2-CG2 3.46Å; I182-I212 VanDerWaalsContact CG2-CG2 3.46Å; I182-H214 VanDerWaalsContact CD1-CE1 3.49Å; I182-H214 WeakPolarHBondContact CD1-CE1 3.28Å |
| 183 | G | 92.9 | Very high | 94 | Very high | 5 Ų | 5 | 77.5 Ų | 77.5 | 5% | 0.052 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 175.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I212 I213 | G183-I212 CarbonylContact O-C 3.51Å; G183-I212 WeakPolarHBondContact O-CA 3.48Å; G183-I213 PolarHBondContact N-O 3.11Å; G183-I213 PolarHBondContact O-N 3.08Å |
| 184 | K | 93.9 | Very high | 93.9 | Very high | 96 Ų | 96 | 78.6 Ų | 78.6 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.1 | 173.4 | 59.7 | 176.6 | 178.8 | 178.5 | 0 | 111.3 | C176 S177 E210 V211 | C176-K184 WeakPolarHBondContact CA-O 3.35Å; S177-K184 PolarHBondContact N-O 3.38Å; S177-K184 PolarHBondContact OG-N 3.36Å; K184-E210 HydrophobicContact CB-CG 4.19Å; K184-E210 HydrophobicContact CD-CG 4.32Å; K184-E210 VanDerWaalsContact CD-OE1 3.22Å; K184-E210 WeakPolarHBondContact CD-OE1 3.47Å; K184-E210 IonicContact NZ-OE1 2.7Å; K184-E210 IonicContact NZ-OE2 2.79Å; K184-V211 WeakPolarHBondContact CA-O 3.48Å |
| 185 | R | 95.3 | Very high | 93.9 | Very high | 90 Ų | 90 | 83.5 Ų | 83.5 | 34% | 0.34 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 150 | 167.7 | 63 | 174.5 | -161.1 | -179.3 | -2.7 | 110 | F173 T174 V211 I213 | F173-R185 HydrophobicContact CB-CB 4.28Å; F173-R185 HydrophobicContact CB-CG 4.14Å; F173-R185 HydrophobicContact CD1-CB 4.14Å; F173-R185 HydrophobicContact CD1-CG 3.56Å; F173-R185 HydrophobicContact CE1-CG 4.12Å; F173-R185 HydrophobicContact CG-CG 4Å; F173-R185 VanDerWaalsContact CG-NE 3.31Å; T174-R185 WeakPolarHBondContact O-CB 3.38Å; R185-V211 HydrophobicContact CG-CB 4.49Å; R185-V211 PolarHBondContact N-O 2.83Å; R185-V211 PolarHBondContact O-N 3.31Å; R185-I213 HydrophobicContact CG-CD1 3.59Å; R185-I213 HydrophobicContact CG-CG1 4.37Å |
| 186 | V | 96.9 | Very high | 94 | Very high | 29 Ų | 29 | 77.2 Ų | 77.2 | 18% | 0.176 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 149.9 | -171.8 | -51.8 | 0 | 0 | 0 | 0 | 110.2 | F173 T174 Y208 Q209 E210 | F173-V186 CarbonylContact C-O 3.56Å; F173-V186 WeakPolarHBondContact CA-O 3.44Å; T174-V186 HydrophobicContact CG2-CG2 3.51Å; T174-V186 PolarHBondContact N-O 3.49Å; T174-V186 PolarHBondContact OG1-N 3.22Å; T174-V186 VanDerWaalsContact OG1-N 3.08Å; V186-Y208 HydrophobicContact CB-CE2 3.8Å; V186-Y208 HydrophobicContact CG1-CE2 4.07Å; V186-Y208 WeakPolarHBondContact CG1-OH 3.14Å; V186-Y208 HydrophobicContact CG2-CE2 4.33Å; V186-Q209 CarbonylContact C-O 3.53Å; V186-Q209 WeakPolarHBondContact CA-O 3.19Å; V186-E210 HydrophobicContact CG1-CB 4.24Å; V186-E210 HydrophobicContact CG1-CG 4.09Å |
| 187 | R | 97.9 | Very high | 93.9 | Very high | 66 Ų | 66 | 80.7 Ų | 80.7 | 25% | 0.249 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 158 | 170.2 | 63.1 | 179.3 | -175.3 | 179.4 | -0.9 | 110.6 | W170 F173 Q209 | W170-R187 HydrophobicContact CD2-CG 4.28Å; W170-R187 HydrophobicContact CE3-CB 4.37Å; W170-R187 HydrophobicContact CE3-CG 3.71Å; W170-R187 HydrophobicContact CZ3-CG 4.22Å; F173-R187 HydrophobicContact CD1-CB 3.87Å; F173-R187 HydrophobicContact CD1-CG 3.85Å; F173-R187 HydrophobicContact CE1-CB 4.16Å; F173-R187 HydrophobicContact CE1-CG 3.6Å; F173-R187 HydrophobicContact CE2-CG 4.38Å; F173-R187 HydrophobicContact CG-CB 4.19Å; F173-R187 HydrophobicContact CG-CG 4.36Å; F173-R187 VanDerWaalsContact CZ-CD 3.43Å; F173-R187 HydrophobicContact CZ-CG 3.89Å; R187-Q209 HydrophobicContact CG-CB 4.1Å; R187-Q209 PolarHBondContact N-O 3.02Å; R187-Q209 PolarHBondContact O-N 3.46Å |
| 188 | R | 98.4 | Very high | 93.6 | Very high | 155 Ų | 155 | 82.9 Ų | 82.9 | 59% | 0.585 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 155.8 | -177.7 | -64.6 | -176 | -178.2 | -172.2 | -1.6 | 112 | W170 S171 D207 Y208 | W170-R188 CarbonylContact C-O 3.58Å; S171-R188 WeakPolarHBondContact CB-O 3.47Å; S171-R188 PolarHBondContact N-O 3.45Å; S171-R188 PolarHBondContact OG-N 3.29Å; S171-R188 PolarHBondContact OG-O 3.39Å; R188-D207 CarbonylContact C-O 3.56Å; R188-D207 WeakPolarHBondContact CA-O 3.41Å; R188-Y208 HydrophobicContact CG-CD2 4.06Å |
| 189 | R | 98.2 | Very high | 93.5 | Very high | 47 Ų | 47 | 84.1 Ų | 84.1 | 18% | 0.177 | 43% | 0.433 | C | S | . | . | trans | -134.9 | 160.1 | 171.6 | 57.6 | 175.2 | 177.4 | -177.6 | 1.7 | 110 | W167 W170 T206 D207 | W167-R189 VanDerWaalsContact CD1-NH1 3.25Å; W167-R189 VanDerWaalsContact CD2-CD 3.44Å; W167-R189 HydrophobicContact CD2-CG 4.01Å; W167-R189 VanDerWaalsContact CD2-CZ 3.47Å; W167-R189 VanDerWaalsContact CE2-CZ 3.43Å; W167-R189 HydrophobicContact CE3-CB 4.23Å; W167-R189 VanDerWaalsContact CE3-CD 3.45Å; W167-R189 HydrophobicContact CE3-CG 3.46Å; W167-R189 VanDerWaalsContact CE3-CG 3.46Å; W167-R189 HydrophobicContact CZ3-CG 3.81Å; W167-R189 VanDerWaalsContact NE1-CZ 3.31Å; W167-R189 VanDerWaalsContact NE1-NH2 3.13Å; W170-R189 HydrophobicContact CD2-CB 3.86Å; W170-R189 HydrophobicContact CD2-CG 3.86Å; W170-R189 VanDerWaalsContact CE2-CD 3.4Å; W170-R189 HydrophobicContact CE3-CB 3.74Å; W170-R189 HydrophobicContact CE3-CG 3.7Å; W170-R189 HydrophobicContact CG-CB 4.3Å; W170-R189 HydrophobicContact CH2-CG 3.72Å; W170-R189 VanDerWaalsContact CZ2-CD 3.42Å; W170-R189 HydrophobicContact CZ2-CG 3.89Å; W170-R189 VanDerWaalsContact CZ2-CZ 3.46Å; W170-R189 HydrophobicContact CZ3-CB 4.17Å; W170-R189 HydrophobicContact CZ3-CG 3.64Å; R189-T206 VanDerWaalsContact CZ-O 3.28Å; R189-T206 PolarHBondContact NE-O 2.99Å; R189-T206 PolarHBondContact NH2-O 3.4Å; R189-D207 PolarHBondContact N-O 3.43Å; R189-D207 WeakPolarHBondContact O-CB 3.24Å | ||
| 190 | H | 98 | Very high | 93.7 | Very high | 132 Ų | 132 | 78.4 Ų | 78.4 | 61% | 0.611 | 40% | 0.401 | S | S | * | . | trans | -113.9 | 143.9 | 179.2 | -64.6 | 86 | 0 | 0 | 0 | 110.4 | G168 N192 | G168-H190 PolarHBondContact N-O 2.91Å; H190-N192 VanDerWaalsContact C-N 3.26Å; H190-N192 HydrophobicContact CB-CB 4.42Å; H190-N192 PolarHBondContact O-N 3.43Å; H190-N192 PolarHBondContact O-OD1 3.01Å | ||
| 191 | C | 97.7 | Very high | 94 | Very high | 12 Ų | 12 | 81.3 Ų | 81.3 | 8% | 0.081 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -81.2 | 74.2 | 173.9 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | W167 Y202 C203 | W167-C191 HydrophobicContact CE3-CB 4.17Å; W167-C191 HydrophobicContact CH2-CB 4.47Å; W167-C191 HydrophobicContact CZ3-CB 3.96Å; C191-Y202 HydrophobicContact CB-CD2 4.15Å; C191-Y202 HydrophobicContact CB-CE1 4.02Å; C191-Y202 HydrophobicContact CB-CE2 3.44Å; C191-Y202 VanDerWaalsContact CB-CE2 3.44Å; C191-Y202 WeakPolarHBondContact CB-OH 3.33Å; C191-C203 WeakPolarHBondContact CA-SG 3.19Å; C191-C203 HydrophobicContact CB-CB 3.74Å; C191-C203 WeakPolarHBondContact CB-SG 3.48Å; C191-C203 WeakPolarHBondContact SG-CB 3.09Å; C191-C203 PolarHBondContact SG-N 3.4Å; C191-C203 CovalentContact SG-SG 2.03Å; C191-C203 PolarHBondContact SG-SG 3.5Å |
| 192 | N | 97.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 86.2 Ų | 86.2 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | trans | -139.3 | 13.4 | -171.2 | 68.6 | -11.1 | 0 | 0 | 0 | 114.8 | G166 H190 P194 R195 | G166-N192 PolarHBondContact O-N 2.84Å; H190-N192 VanDerWaalsContact C-N 3.26Å; H190-N192 HydrophobicContact CB-CB 4.42Å; H190-N192 PolarHBondContact O-N 3.43Å; H190-N192 PolarHBondContact O-OD1 3.01Å; N192-P194 CarbonylContact C-O 3.19Å; N192-P194 CarbonylContact O-C 3.58Å; N192-R195 HydrophobicContact CB-CG 3.77Å | ||
| 193 | H | 95 | Very high | 94.6 | Very high | 146 Ų | 146 | 81.2 Ų | 81.2 | 68% | 0.676 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | 67.7 | -175.1 | -139.5 | 87.1 | 0 | 0 | 0 | 113 | G166 | G166-H193 CarbonylContact C-O 3.56Å; G166-H193 VanDerWaalsContact CA-O 3.23Å; G166-H193 WeakPolarHBondContact CA-O 3.43Å; G166-H193 CarbonylContact O-C 3.59Å; G166-H193 WeakPolarHBondContact O-CA 3.39Å; G166-H193 PolarHBondContact O-N 3.27Å |
| 194 | P | 95.3 | Very high | 94.7 | Very high | 64 Ų | 64 | 88.1 Ų | 88.1 | 42% | 0.416 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -84.9 | 169.7 | -0.3 | 35 | -35.7 | 0 | 0 | 0 | 112.4 | I163 G165 G166 N192 | I163-P194 HydrophobicContact CG2-CB 4.24Å; I163-P194 HydrophobicContact CG2-CG 3.56Å; G165-P194 WeakPolarHBondContact CA-O 3.28Å; G166-P194 PolarHBondContact N-O 2.7Å; N192-P194 CarbonylContact C-O 3.19Å; N192-P194 CarbonylContact O-C 3.58Å |
| 195 | R | 95 | Very high | 94.8 | Very high | 174 Ų | 174 | 86.6 Ų | 86.6 | 66% | 0.657 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 143.2 | 165.3 | -70.8 | -179.3 | -179.7 | 173 | 0.6 | 108.9 | N192 Q197 | N192-R195 HydrophobicContact CB-CG 3.77Å; R195-Q197 PolarHBondContact O-N 3.4Å |
| 196 | P | 94.3 | Very high | 94.8 | Very high | 42 Ų | 42 | 86.6 Ų | 86.6 | 27% | 0.273 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 137.9 | 171.2 | -19.1 | 27.3 | 0 | 0 | 0 | 111.6 | I163 Y202 | I163-P196 CarbonylContact O-C 3.58Å; I163-P196 VanDerWaalsContact O-CA 3.24Å; I163-P196 WeakPolarHBondContact O-CA 3.05Å; P196-Y202 HydrophobicContact CG-CD2 4.15Å |
| 197 | Q | 90 | Very high | 94.9 | Very high | 101 Ų | 101 | 89 Ų | 89 | 47% | 0.472 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -138.3 | 155 | 178 | -61.4 | 180 | 2.4 | 0 | 0 | 111.1 | I163 R195 G199 G200 | I163-Q197 HydrophobicContact CB-CB 4.17Å; I163-Q197 HydrophobicContact CD1-CB 4.48Å; I163-Q197 PolarHBondContact N-O 3.32Å; I163-Q197 VanDerWaalsContact N-O 3.08Å; I163-Q197 PolarHBondContact O-N 3.14Å; R195-Q197 PolarHBondContact O-N 3.4Å; Q197-G199 VanDerWaalsContact C-N 3.27Å; Q197-G199 PolarHBondContact O-N 3.09Å; Q197-G200 PolarHBondContact O-N 3.35Å |
| 198 | E | 86.8 | Confident | 94.9 | Very high | 123 Ų | 123 | 89.9 Ų | 89.9 | 58% | 0.575 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 41.4 | 171.5 | -53.4 | -56.8 | 141.4 | 0 | 0 | 113.4 | C160 G200 | C160-E198 HydrophobicContact CB-CB 4.18Å; C160-E198 HydrophobicContact CB-CG 3.7Å; E198-G200 VanDerWaalsContact C-N 3.32Å; E198-G200 PolarHBondContact O-N 2.89Å |
| 199 | G | 85.6 | Confident | 94.8 | Very high | 79 Ų | 79 | 85.8 Ų | 85.8 | 81% | 0.814 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 10 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q197 | Q197-G199 VanDerWaalsContact C-N 3.27Å; Q197-G199 PolarHBondContact O-N 3.09Å |
| 200 | G | 90.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 87.4 Ų | 87.4 | 16% | 0.155 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 152.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | I163 Q197 E198 | I163-G200 WeakPolarHBondContact O-CA 3.44Å; Q197-G200 PolarHBondContact O-N 3.35Å; E198-G200 VanDerWaalsContact C-N 3.32Å; E198-G200 PolarHBondContact O-N 2.89Å |
| 201 | L | 94 | Very high | 94.6 | Very high | 109 Ų | 109 | 83.5 Ų | 83.5 | 57% | 0.571 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 145.5 | -176.2 | -60.8 | 175.2 | 0 | 0 | 0 | 111.5 | N164 G165 | N164-L201 PolarHBondContact OD1-N 2.99Å; G165-L201 PolarHBondContact N-O 3.02Å |
| 202 | Y | 97 | Very high | 94.4 | Very high | 143 Ų | 143 | 88.1 Ų | 88.1 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 158.8 | 166.5 | -165.4 | -101.1 | 0 | 0 | 0 | 110.8 | W167 C191 P196 L204 | W167-Y202 HydrophobicContact CH2-CE1 4.2Å; C191-Y202 HydrophobicContact CB-CD2 4.15Å; C191-Y202 HydrophobicContact CB-CE1 4.02Å; C191-Y202 HydrophobicContact CB-CE2 3.44Å; C191-Y202 VanDerWaalsContact CB-CE2 3.44Å; C191-Y202 WeakPolarHBondContact CB-OH 3.33Å; P196-Y202 HydrophobicContact CG-CD2 4.15Å; Y202-L204 PolarHBondContact O-N 3.15Å |
| 203 | C | 97.2 | Very high | 94 | Very high | 9 Ų | 9 | 86.6 Ų | 86.6 | 6% | 0.061 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 132.3 | -177.7 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | G165 G166 W167 C191 | G165-C203 PolarHBondContact O-SG 3.02Å; G165-C203 VanDerWaalsContact O-SG 3.38Å; G166-C203 PolarHBondContact N-SG 3.33Å; G166-C203 PolarHBondContact O-SG 3.22Å; G166-C203 VanDerWaalsContact O-SG 3.4Å; W167-C203 HydrophobicContact CD2-CB 3.58Å; W167-C203 HydrophobicContact CE3-CB 4.08Å; W167-C203 HydrophobicContact CG-CB 4.06Å; W167-C203 HydrophobicContact CH2-CB 3.96Å; W167-C203 HydrophobicContact CZ2-CB 3.43Å; W167-C203 VanDerWaalsContact CZ2-CB 3.43Å; W167-C203 HydrophobicContact CZ3-CB 4.26Å; C191-C203 WeakPolarHBondContact CA-SG 3.19Å; C191-C203 HydrophobicContact CB-CB 3.74Å; C191-C203 WeakPolarHBondContact CB-SG 3.48Å; C191-C203 WeakPolarHBondContact SG-CB 3.09Å; C191-C203 PolarHBondContact SG-N 3.4Å; C191-C203 CovalentContact SG-SG 2.03Å; C191-C203 PolarHBondContact SG-SG 3.5Å |
| 204 | L | 95.1 | Very high | 93.6 | Very high | 151 Ų | 151 | 85.9 Ų | 85.9 | 79% | 0.791 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -78.4 | 139.2 | 178.1 | -61.3 | 177.2 | 0 | 0 | 0 | 111.4 | W167 Y202 | W167-L204 PolarHBondContact NE1-O 3.25Å; Y202-L204 PolarHBondContact O-N 3.15Å |
| 205 | G | 95.6 | Very high | 92.8 | Very high | 63 Ų | 63 | 86.7 Ų | 86.7 | 65% | 0.649 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 95.8 | -171.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | W167 | W167-G205 WeakPolarHBondContact CZ2-O 3.14Š|
| 206 | T | 96.2 | Very high | 91.5 | Very high | 90 Ų | 90 | 82.8 Ų | 82.8 | 55% | 0.552 | 46% | 0.457 | S | S | * | . | trans | -89.8 | 151 | -175.4 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | R189 Y208 | R189-T206 VanDerWaalsContact CZ-O 3.28Å; R189-T206 PolarHBondContact NE-O 2.99Å; R189-T206 PolarHBondContact NH2-O 3.4Å; T206-Y208 PolarHBondContact OG1-O 3.41Å | ||
| 207 | D | 97.3 | Very high | 89.7 | Confident | 81 Ų | 81 | 88.3 Ų | 88.3 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -90.1 | -7.7 | 169.9 | 67 | -28.7 | 0 | 0 | 0 | 112.7 | W167 W170 R188 R189 | W167-D207 HydrophobicContact CH2-CB 3.65Å; W167-D207 HydrophobicContact CZ3-CB 3.75Å; W170-D207 VanDerWaalsContact CZ3-O 3.26Å; W170-D207 WeakPolarHBondContact CZ3-O 3.31Å; R188-D207 CarbonylContact C-O 3.56Å; R188-D207 WeakPolarHBondContact CA-O 3.41Å; R189-D207 PolarHBondContact N-O 3.43Å; R189-D207 WeakPolarHBondContact O-CB 3.24Å |
| 208 | Y | 98.1 | Very high | 87.9 | Confident | 83 Ų | 83 | 90 Ų | 90 | 33% | 0.325 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.1 | -176.3 | 179.4 | -95.3 | 0 | 0 | 0 | 110.7 | V186 R188 T206 E210 | V186-Y208 HydrophobicContact CB-CE2 3.8Å; V186-Y208 HydrophobicContact CG1-CE2 4.07Å; V186-Y208 WeakPolarHBondContact CG1-OH 3.14Å; V186-Y208 HydrophobicContact CG2-CE2 4.33Å; R188-Y208 HydrophobicContact CG-CD2 4.06Å; T206-Y208 PolarHBondContact OG1-O 3.41Å; Y208-E210 HydrophobicContact CE1-CB 3.7Å; Y208-E210 PolarHBondContact OH-OE2 2.92Å |
| 209 | Q | 97.3 | Very high | 85.9 | Confident | 69 Ų | 69 | 93 Ų | 93 | 32% | 0.322 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 131.7 | 171 | -173 | 177.9 | 21.4 | 0 | 0 | 109.9 | W170 V186 R187 V211 | W170-Q209 HydrophobicContact CH2-CB 3.87Å; W170-Q209 HydrophobicContact CZ2-CB 4.47Å; W170-Q209 HydrophobicContact CZ3-CB 3.97Å; V186-Q209 CarbonylContact C-O 3.53Å; V186-Q209 WeakPolarHBondContact CA-O 3.19Å; R187-Q209 HydrophobicContact CG-CB 4.1Å; R187-Q209 PolarHBondContact N-O 3.02Å; R187-Q209 PolarHBondContact O-N 3.46Å; Q209-V211 HydrophobicContact CG-CG2 4.39Å |
| 210 | E | 96.8 | Very high | 83.9 | Confident | 82 Ų | 82 | 95.9 Ų | 95.9 | 38% | 0.383 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 137.4 | 173.8 | -179.6 | 168 | 135.2 | 0 | 0 | 109.3 | K184 V186 Y208 | K184-E210 HydrophobicContact CB-CG 4.19Å; K184-E210 HydrophobicContact CD-CG 4.32Å; K184-E210 VanDerWaalsContact CD-OE1 3.22Å; K184-E210 WeakPolarHBondContact CD-OE1 3.47Å; K184-E210 IonicContact NZ-OE1 2.7Å; K184-E210 IonicContact NZ-OE2 2.79Å; V186-E210 HydrophobicContact CG1-CB 4.24Å; V186-E210 HydrophobicContact CG1-CG 4.09Å; Y208-E210 HydrophobicContact CE1-CB 3.7Å; Y208-E210 PolarHBondContact OH-OE2 2.92Å |
| 211 | V | 94.7 | Very high | 81.7 | Confident | 49 Ų | 49 | 103.7 Ų | 103.7 | 30% | 0.297 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 129 | 177.3 | 180 | 0 | 0 | 0 | 0 | 108.8 | F173 K184 R185 Q209 I213 | F173-V211 HydrophobicContact CE1-CB 4.3Å; F173-V211 HydrophobicContact CE1-CG2 3.81Å; F173-V211 HydrophobicContact CZ-CG2 3.82Å; K184-V211 WeakPolarHBondContact CA-O 3.48Å; R185-V211 HydrophobicContact CG-CB 4.49Å; R185-V211 PolarHBondContact N-O 2.83Å; R185-V211 PolarHBondContact O-N 3.31Å; Q209-V211 HydrophobicContact CG-CG2 4.39Å; V211-I213 HydrophobicContact CG1-CG1 4.36Å |
| 212 | I | 92.8 | Very high | 79.2 | Confident | 109 Ų | 109 | 106.8 Ų | 106.8 | 56% | 0.559 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 133.1 | 173.6 | -60.8 | 174.1 | 0 | 0 | 0 | 108.7 | I182 G183 | I182-I212 HydrophobicContact CG2-CG2 3.46Å; I182-I212 VanDerWaalsContact CG2-CG2 3.46Å; G183-I212 CarbonylContact O-C 3.51Å; G183-I212 WeakPolarHBondContact O-CA 3.48Å |
| 213 | I | 89.2 | Confident | 76.6 | Confident | 36 Ų | 36 | 105.2 Ų | 105.2 | 19% | 0.185 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.6 | -179.5 | -58.6 | -178.3 | 0 | 0 | 0 | 109.1 | G183 R185 V211 F215 | G183-I213 PolarHBondContact N-O 3.11Å; G183-I213 PolarHBondContact O-N 3.08Å; R185-I213 HydrophobicContact CG-CD1 3.59Å; R185-I213 HydrophobicContact CG-CG1 4.37Å; V211-I213 HydrophobicContact CG1-CG1 4.36Å; I213-F215 HydrophobicContact CG2-CD1 4.13Å; I213-F215 HydrophobicContact CG2-CE1 3.82Å; I213-F215 HydrophobicContact CG2-CE2 4.34Å; I213-F215 HydrophobicContact CG2-CG 4.48Å; I213-F215 HydrophobicContact CG2-CZ 3.94Å |
| 214 | H | 87.3 | Confident | 73.8 | Confident | 131 Ų | 131 | 118.3 Ų | 118.3 | 61% | 0.606 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 112.5 | 173.4 | -68.2 | -98.3 | 0 | 0 | 0 | 109.3 | G181 I182 | G181-H214 WeakPolarHBondContact O-CA 3.25Å; I182-H214 VanDerWaalsContact CD1-CE1 3.49Å; I182-H214 WeakPolarHBondContact CD1-CE1 3.28Å |
| 215 | F | 77.9 | Confident | 72.8 | Confident | 82 Ų | 82 | 116.7 Ų | 116.7 | 36% | 0.36 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 108.1 | 170 | -69.6 | -52.3 | 0 | 0 | 0 | 109.8 | C176 V178 G181 I213 | C176-F215 HydrophobicContact CB-CD2 4.39Å; C176-F215 HydrophobicContact CB-CE2 3.36Å; C176-F215 HydrophobicContact CB-CZ 3.99Å; C176-F215 WeakPolarHBondContact SG-CE2 3.35Å; V178-F215 WeakPolarHBondContact O-CD2 3.49Å; V178-F215 WeakPolarHBondContact O-CE2 3.3Å; G181-F215 PolarHBondContact N-O 3.23Å; G181-F215 PolarHBondContact O-N 3.03Å; I213-F215 HydrophobicContact CG2-CD1 4.13Å; I213-F215 HydrophobicContact CG2-CE1 3.82Å; I213-F215 HydrophobicContact CG2-CE2 4.34Å; I213-F215 HydrophobicContact CG2-CG 4.48Å; I213-F215 HydrophobicContact CG2-CZ 3.94Å |
| 216 | S | 67.5 | Low | 71.5 | Confident | 92 Ų | 92 | 119.5 Ų | 119.5 | 64% | 0.643 | 59% | 0.59 | S | S | * | * | trans | -67.6 | 129.2 | 162.7 | 55.6 | 0 | 0 | 0 | 0 | 108.5 | L218 | S216-L218 PolarHBondContact O-N 2.68Š| ||
| 217 | Q | 56.6 | Low | 70.2 | Confident | 158 Ų | 158 | 121.1 Ų | 121.1 | 74% | 0.738 | 59% | 0.593 | S | S | * | * | trans | -63.1 | 84.4 | 164.9 | -69.2 | -177.9 | -13.2 | 0 | 0 | 108.7 | C180 | C180-Q217 HydrophobicContact CB-CG 3.46Å; C180-Q217 VanDerWaalsContact CB-CG 3.46Å; C180-Q217 PolarHBondContact SG-NE2 2.96Å | ||
| 218 | L | 52.2 | Low | 68.6 | Low | 137 Ų | 137 | 123.5 Ų | 123.5 | 72% | 0.717 | 60% | 0.602 | S | S | * | * | trans | -123.5 | 77.4 | 164.4 | -73.1 | 175.5 | 0 | 0 | 0 | 105.5 | S216 | S216-L218 PolarHBondContact O-N 2.68Š| ||
| 219 | Y | 43.8 | Very low | 66.7 | Low | 185 Ų | 185 | 126 Ų | 126 | 73% | 0.725 | 62% | 0.619 | S | S | * | * | trans | 180 | 97.1 | 147.8 | -93.6 | -63.5 | 0 | 0 | 0 | 108.7 | Y222 | Y219-Y222 HydrophobicContact CD1-CD2 4.16Å; Y219-Y222 AromaticContact CD1-CE2 3.65Å; Y219-Y222 HydrophobicContact CD1-CE2 3.65Å; Y219-Y222 HydrophobicContact CE1-CD2 4.48Å; Y219-Y222 AromaticContact CE1-CE2 3.56Å; Y219-Y222 HydrophobicContact CE1-CE2 3.56Å | ||
| 220 | N | 44.6 | Very low | 64.7 | Low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | trans | 169.8 | 54.7 | 132.3 | -85.1 | -19.5 | 0 | 0 | 0 | 111.5 | ||||
| 221 | L | 44.9 | Very low | 62.4 | Low | 180 Ų | 180 | 133.2 Ų | 133.2 | 94% | 0.942 | 66% | 0.657 | S | S | * | * | trans | -94 | 60.3 | 142.4 | -70.1 | 172.3 | 0 | 0 | 0 | 107.4 | ||||
| 222 | Y | 40.3 | Very low | 59.9 | Low | 173 Ų | 173 | 139.7 Ų | 139.7 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | trans | -102.4 | 90.1 | 160.1 | -87.6 | -66.9 | 0 | 0 | 0 | 108 | Y219 | Y219-Y222 HydrophobicContact CD1-CD2 4.16Å; Y219-Y222 AromaticContact CD1-CE2 3.65Å; Y219-Y222 HydrophobicContact CD1-CE2 3.65Å; Y219-Y222 HydrophobicContact CE1-CD2 4.48Å; Y219-Y222 AromaticContact CE1-CE2 3.56Å; Y219-Y222 HydrophobicContact CE1-CE2 3.56Å | ||
| 223 | S | 42.7 | Very low | 57.2 | Low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | trans | -162.3 | 103.1 | 138.2 | 39.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 224 | K | 39.2 | Very low | 54.3 | Low | 283 Ų | 283 | 151.9 Ų | 151.9 | 100% | 1.23 | 74% | 0.742 | S | S | * | * | trans | -36.3 | 0 | 164.4 | -71 | 171.6 | 170.1 | 176.9 | 0 | 112.6 |
Retrieved 224 of 224 residues in 60.2 ms
(Link to these results)