| 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 | 48.9 | Very low | 63.4 | Low | 166 Ų | 166 | 103.3 Ų | 103.3 | 82% | 0.818 | 56% | 0.559 | S | S | * | * | 0 | -75 | 0 | -54.2 | -64.3 | -92 | 0 | 0 | 110.1 | K3 A4 C5 | M1-K3 PolarHBondContact O-N 2.9Å; M1-A4 PolarHBondContact O-N 2.66Å; M1-C5 PolarHBondContact O-N 2.6Å; M1-C5 VanDerWaalsContact O-N 3.1Å | |||
| 2 | A | 48.7 | Very low | 64.8 | Low | 70 Ų | 70 | 100.1 Ų | 100.1 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.4 | -40.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | A4 K6 | A2-A4 PolarHBondContact O-N 2.85Å; A2-K6 WeakPolarHBondContact O-CG 3.03Å; A2-K6 PolarHBondContact O-N 3.44Å |
| 3 | K | 53.8 | Low | 65.9 | Low | 169 Ų | 169 | 97.8 Ų | 97.8 | 74% | 0.735 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.6 | -30.6 | -179.2 | -63.4 | -174.5 | 177.6 | -173.9 | 0 | 113.4 | M1 L7 | M1-K3 PolarHBondContact O-N 2.9Å; K3-L7 PolarHBondContact O-N 3.4Å |
| 4 | A | 59.3 | Low | 66.9 | Low | 56 Ų | 56 | 94.9 Ų | 94.9 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -79.3 | -37.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1 A2 L7 Y8 | M1-A4 PolarHBondContact O-N 2.66Å; A2-A4 PolarHBondContact O-N 2.85Å; A4-L7 PolarHBondContact O-N 3.33Å; A4-Y8 WeakPolarHBondContact O-CB 3.04Å; A4-Y8 PolarHBondContact O-N 3.03Å |
| 5 | C | 52.1 | Low | 67.8 | Low | 80 Ų | 80 | 95 Ų | 95 | 54% | 0.541 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 169.7 | -79.1 | 0 | 0 | 0 | 0 | 111.5 | M1 L7 Y8 V9 | M1-C5 PolarHBondContact O-N 2.6Å; M1-C5 VanDerWaalsContact O-N 3.1Å; C5-L7 VanDerWaalsContact C-N 3.27Å; C5-L7 PolarHBondContact O-N 3.13Å; C5-Y8 PolarHBondContact O-N 3.05Å; C5-V9 VanDerWaalsContact O-CB 3.24Å; C5-V9 WeakPolarHBondContact O-CB 3.33Å; C5-V9 WeakPolarHBondContact O-CG2 3.29Å; C5-V9 PolarHBondContact O-N 3.27Å |
| 6 | K | 62.9 | Low | 68.5 | Low | 166 Ų | 166 | 92.2 Ų | 92.2 | 72% | 0.722 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.8 | -35.9 | 177.9 | -75.2 | -175.9 | 177.6 | -168.6 | 0 | 113.2 | A2 G10 | A2-K6 WeakPolarHBondContact O-CG 3.03Å; A2-K6 PolarHBondContact O-N 3.44Å; K6-G10 PolarHBondContact O-N 3.23Å |
| 7 | L | 69.4 | Low | 69 | Low | 88 Ų | 88 | 93.1 Ų | 93.1 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -78.9 | -39.9 | -179.9 | -129.5 | 156.9 | 0 | 0 | 0 | 112.1 | K3 A4 C5 G10 I11 F134 | K3-L7 PolarHBondContact O-N 3.4Å; A4-L7 PolarHBondContact O-N 3.33Å; C5-L7 VanDerWaalsContact C-N 3.27Å; C5-L7 PolarHBondContact O-N 3.13Å; L7-G10 PolarHBondContact O-N 3.49Å; L7-I11 HydrophobicContact CD2-CD1 3.9Å; L7-I11 HydrophobicContact CD2-CG1 4.25Å; L7-I11 VanDerWaalsContact O-CG1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 2.83Å; L7-F134 HydrophobicContact CB-CE2 4.29Å; L7-F134 HydrophobicContact CB-CZ 4.22Å; L7-F134 HydrophobicContact CD1-CE2 3.78Å; L7-F134 HydrophobicContact CD2-CD2 4.19Å; L7-F134 HydrophobicContact CD2-CE2 3.27Å; L7-F134 HydrophobicContact CD2-CZ 3.68Å; L7-F134 HydrophobicContact CG-CE2 3.93Å; L7-F134 HydrophobicContact CG-CZ 4.32Å |
| 8 | Y | 74.9 | Confident | 69.2 | Low | 162 Ų | 162 | 91.7 Ų | 91.7 | 64% | 0.635 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -43.7 | 171.8 | -176 | -100.3 | 0 | 0 | 0 | 111.4 | A4 C5 G10 I11 V12 | A4-Y8 WeakPolarHBondContact O-CB 3.04Å; A4-Y8 PolarHBondContact O-N 3.03Å; C5-Y8 PolarHBondContact O-N 3.05Å; Y8-G10 VanDerWaalsContact C-N 3.34Å; Y8-G10 PolarHBondContact O-N 3Å; Y8-I11 PolarHBondContact O-N 3.21Å; Y8-V12 HydrophobicContact CD1-CG2 4Å; Y8-V12 HydrophobicContact CD2-CG2 4.47Å; Y8-V12 HydrophobicContact CE1-CG2 3.68Å; Y8-V12 HydrophobicContact CE2-CG2 4.17Å; Y8-V12 HydrophobicContact CG-CG2 4.39Å; Y8-V12 WeakPolarHBondContact O-CB 3.04Å; Y8-V12 WeakPolarHBondContact O-CG2 3.46Å; Y8-V12 PolarHBondContact O-N 3.44Å |
| 9 | V | 70.8 | Confident | 69.6 | Low | 83 Ų | 83 | 95 Ų | 95 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 172.3 | 171.7 | 0 | 0 | 0 | 0 | 109.8 | C5 I11 V12 T13 | C5-V9 VanDerWaalsContact O-CB 3.24Å; C5-V9 WeakPolarHBondContact O-CB 3.33Å; C5-V9 WeakPolarHBondContact O-CG2 3.29Å; C5-V9 PolarHBondContact O-N 3.27Å; V9-I11 PolarHBondContact O-N 2.92Å; V9-V12 PolarHBondContact O-N 3.32Å; V9-T13 VanDerWaalsContact O-CB 3.24Å; V9-T13 WeakPolarHBondContact O-CB 3.18Å; V9-T13 PolarHBondContact O-N 2.82Å; V9-T13 PolarHBondContact O-OG1 2.88Å |
| 10 | G | 75.8 | Confident | 69.4 | Low | 38 Ų | 38 | 94.4 Ų | 94.4 | 39% | 0.392 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K6 L7 Y8 A14 | K6-G10 PolarHBondContact O-N 3.23Å; L7-G10 PolarHBondContact O-N 3.49Å; Y8-G10 VanDerWaalsContact C-N 3.34Å; Y8-G10 PolarHBondContact O-N 3Å; G10-A14 WeakPolarHBondContact O-CB 3.04Å; G10-A14 PolarHBondContact O-N 3.05Å |
| 11 | I | 81.1 | Confident | 69.3 | Low | 58 Ų | 58 | 92.7 Ų | 92.7 | 30% | 0.297 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.2 | -44.6 | 177 | -67.8 | 164.3 | 0 | 0 | 0 | 110.7 | L7 Y8 V9 A14 L15 F134 | L7-I11 HydrophobicContact CD2-CD1 3.9Å; L7-I11 HydrophobicContact CD2-CG1 4.25Å; L7-I11 VanDerWaalsContact O-CG1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 2.83Å; Y8-I11 PolarHBondContact O-N 3.21Å; V9-I11 PolarHBondContact O-N 2.92Å; I11-A14 PolarHBondContact O-N 2.02Å; I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 VanDerWaalsContact O-CG 3.22Å; I11-L15 WeakPolarHBondContact O-CG 3.24Å; I11-L15 PolarHBondContact O-N 2.86Å; I11-F134 HydrophobicContact CD1-CD1 4.21Å; I11-F134 HydrophobicContact CD1-CE1 3.63Å; I11-F134 HydrophobicContact CD1-CE2 4.24Å; I11-F134 HydrophobicContact CD1-CZ 3.65Å |
| 12 | V | 79.3 | Confident | 69.8 | Low | 65 Ų | 65 | 89 Ų | 89 | 39% | 0.394 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 178.6 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | Y8 V9 L15 A16 | Y8-V12 HydrophobicContact CD1-CG2 4Å; Y8-V12 HydrophobicContact CD2-CG2 4.47Å; Y8-V12 HydrophobicContact CE1-CG2 3.68Å; Y8-V12 HydrophobicContact CE2-CG2 4.17Å; Y8-V12 HydrophobicContact CG-CG2 4.39Å; Y8-V12 WeakPolarHBondContact O-CB 3.04Å; Y8-V12 WeakPolarHBondContact O-CG2 3.46Å; Y8-V12 PolarHBondContact O-N 3.44Å; V9-V12 PolarHBondContact O-N 3.32Å; V12-L15 PolarHBondContact O-N 2.93Å; V12-A16 WeakPolarHBondContact O-CB 3.11Å; V12-A16 PolarHBondContact O-N 2.95Å |
| 13 | T | 79.6 | Confident | 70 | Confident | 71 Ų | 71 | 88.5 Ų | 88.5 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 173.9 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | V9 A16 L17 | V9-T13 VanDerWaalsContact O-CB 3.24Å; V9-T13 WeakPolarHBondContact O-CB 3.18Å; V9-T13 PolarHBondContact O-N 2.82Å; V9-T13 PolarHBondContact O-OG1 2.88Å; T13-A16 PolarHBondContact O-N 2.82Å; T13-L17 HydrophobicContact CG2-CD1 4.07Å; T13-L17 HydrophobicContact CG2-CG 4.39Å; T13-L17 WeakPolarHBondContact O-CB 3.34Å; T13-L17 VanDerWaalsContact O-CG 3.23Å; T13-L17 WeakPolarHBondContact O-CG 3.16Å; T13-L17 PolarHBondContact O-N 3.3Å |
| 14 | A | 80 | Confident | 69.6 | Low | 57 Ų | 57 | 88 Ų | 88 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G10 I11 C18 | G10-A14 WeakPolarHBondContact O-CB 3.04Å; G10-A14 PolarHBondContact O-N 3.05Å; I11-A14 PolarHBondContact O-N 2.02Å; A14-C18 WeakPolarHBondContact O-CB 2.99Å; A14-C18 PolarHBondContact O-N 2.76Å |
| 15 | L | 80.8 | Confident | 68.9 | Low | 96 Ų | 96 | 95.9 Ų | 95.9 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68 | -38.1 | 174.8 | -72.5 | 172.7 | 0 | 0 | 0 | 111.7 | I11 V12 C18 K19 | I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 VanDerWaalsContact O-CG 3.22Å; I11-L15 WeakPolarHBondContact O-CG 3.24Å; I11-L15 PolarHBondContact O-N 2.86Å; V12-L15 PolarHBondContact O-N 2.93Å; L15-C18 PolarHBondContact O-N 3.31Å; L15-K19 VanDerWaalsContact O-CB 3.31Å; L15-K19 WeakPolarHBondContact O-CB 3.4Å; L15-K19 VanDerWaalsContact O-CG 3.23Å; L15-K19 WeakPolarHBondContact O-CG 3.34Å; L15-K19 PolarHBondContact O-N 2.94Å |
| 16 | A | 78.8 | Confident | 68.5 | Low | 50 Ų | 50 | 98.8 Ų | 98.8 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V12 T13 C18 K19 C20 | V12-A16 WeakPolarHBondContact O-CB 3.11Å; V12-A16 PolarHBondContact O-N 2.95Å; T13-A16 PolarHBondContact O-N 2.82Å; A16-C18 PolarHBondContact O-N 2.86Å; A16-K19 PolarHBondContact O-N 2.03Å; A16-C20 PolarHBondContact O-N 2.03Å; A16-C20 PolarHBondContact O-SG 3.21Å |
| 17 | L | 76.1 | Confident | 67.8 | Low | 108 Ų | 108 | 93.8 Ų | 93.8 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.8 | -45 | 174.7 | -71.9 | 172.6 | 0 | 0 | 0 | 111.2 | T13 K19 C20 S21 | T13-L17 HydrophobicContact CG2-CD1 4.07Å; T13-L17 HydrophobicContact CG2-CG 4.39Å; T13-L17 WeakPolarHBondContact O-CB 3.34Å; T13-L17 VanDerWaalsContact O-CG 3.23Å; T13-L17 WeakPolarHBondContact O-CG 3.16Å; T13-L17 PolarHBondContact O-N 3.3Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.48Å; L17-C20 WeakPolarHBondContact O-CB 3.17Å; L17-C20 PolarHBondContact O-N 3.47Å; L17-C20 VanDerWaalsContact O-N 3.14Å; L17-S21 PolarHBondContact O-N 2.81Å; L17-S21 PolarHBondContact O-OG 3.49Å |
| 18 | C | 73.4 | Confident | 66.7 | Low | 67 Ų | 67 | 95.3 Ų | 95.3 | 45% | 0.453 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 176.3 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | A14 L15 A16 S21 L22 | A14-C18 WeakPolarHBondContact O-CB 2.99Å; A14-C18 PolarHBondContact O-N 2.76Å; L15-C18 PolarHBondContact O-N 3.31Å; A16-C18 PolarHBondContact O-N 2.86Å; C18-S21 PolarHBondContact O-N 2.97Å; C18-L22 WeakPolarHBondContact O-CB 3.48Å; C18-L22 WeakPolarHBondContact O-CD1 2.98Å; C18-L22 WeakPolarHBondContact O-CG 3.25Å; C18-L22 PolarHBondContact O-N 3.44Å |
| 19 | K | 77.2 | Confident | 65 | Low | 155 Ų | 155 | 96.9 Ų | 96.9 | 67% | 0.674 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.7 | -37.2 | 172.8 | -77.9 | -74.1 | -174.5 | 177.3 | 0 | 112.8 | L15 A16 L17 L22 A23 | L15-K19 VanDerWaalsContact O-CB 3.31Å; L15-K19 WeakPolarHBondContact O-CB 3.4Å; L15-K19 VanDerWaalsContact O-CG 3.23Å; L15-K19 WeakPolarHBondContact O-CG 3.34Å; L15-K19 PolarHBondContact O-N 2.94Å; A16-K19 PolarHBondContact O-N 2.03Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.48Å; K19-L22 PolarHBondContact O-N 3.49Å; K19-A23 WeakPolarHBondContact O-CB 3.02Å; K19-A23 PolarHBondContact O-N 3.41Å |
| 20 | C | 64.3 | Low | 63.7 | Low | 82 Ų | 82 | 100.8 Ų | 100.8 | 55% | 0.554 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.1 | -44.6 | 172.6 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | A16 L17 L22 A23 E24 | A16-C20 PolarHBondContact O-N 2.03Å; A16-C20 PolarHBondContact O-SG 3.21Å; L17-C20 WeakPolarHBondContact O-CB 3.17Å; L17-C20 PolarHBondContact O-N 3.47Å; L17-C20 VanDerWaalsContact O-N 3.14Å; C20-L22 VanDerWaalsContact C-N 3.34Å; C20-L22 PolarHBondContact O-N 3.43Å; C20-A23 WeakPolarHBondContact O-CB 3Å; C20-A23 PolarHBondContact O-N 3.05Å; C20-E24 PolarHBondContact O-N 3.2Å; C20-E24 VanDerWaalsContact O-N 3.07Å |
| 21 | S | 68.3 | Low | 61.9 | Low | 60 Ų | 60 | 104.7 Ų | 104.7 | 42% | 0.42 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.5 | -40.5 | 174.8 | -46.7 | 0 | 0 | 0 | 0 | 111.9 | L17 C18 A23 E24 W25 | L17-S21 PolarHBondContact O-N 2.81Å; L17-S21 PolarHBondContact O-OG 3.49Å; C18-S21 PolarHBondContact O-N 2.97Å; S21-A23 VanDerWaalsContact C-N 3.34Å; S21-E24 WeakPolarHBondContact O-CB 3.49Å; S21-E24 PolarHBondContact O-N 3.26Å; S21-W25 PolarHBondContact O-N 3.17Å; S21-W25 VanDerWaalsContact O-N 3.11Å |
| 22 | L | 59.1 | Low | 59.8 | Low | 87 Ų | 87 | 105.9 Ų | 105.9 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.7 | -30.5 | 175.6 | -85.6 | 150.7 | 0 | 0 | 0 | 112.8 | C18 K19 C20 E24 W25 N26 | C18-L22 WeakPolarHBondContact O-CB 3.48Å; C18-L22 WeakPolarHBondContact O-CD1 2.98Å; C18-L22 WeakPolarHBondContact O-CG 3.25Å; C18-L22 PolarHBondContact O-N 3.44Å; K19-L22 PolarHBondContact O-N 3.49Å; C20-L22 VanDerWaalsContact C-N 3.34Å; C20-L22 PolarHBondContact O-N 3.43Å; L22-E24 VanDerWaalsContact C-N 3.34Å; L22-W25 PolarHBondContact O-N 2.91Å; L22-N26 WeakPolarHBondContact O-CB 3.45Å; L22-N26 VanDerWaalsContact O-CG 3.26Å; L22-N26 PolarHBondContact O-N 3.32Å; L22-N26 VanDerWaalsContact O-N 3.13Å; L22-N26 PolarHBondContact O-ND2 3.07Å |
| 23 | A | 53.9 | Low | 58.1 | Low | 61 Ų | 61 | 109.1 Ų | 109.1 | 50% | 0.504 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.2 | -36 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K19 C20 S21 W25 N26 | K19-A23 WeakPolarHBondContact O-CB 3.02Å; K19-A23 PolarHBondContact O-N 3.41Å; C20-A23 WeakPolarHBondContact O-CB 3Å; C20-A23 PolarHBondContact O-N 3.05Å; S21-A23 VanDerWaalsContact C-N 3.34Å; A23-W25 VanDerWaalsContact C-N 3.31Å; A23-N26 PolarHBondContact O-N 3.33Å |
| 24 | E | 44.2 | Very low | 56.1 | Low | 157 Ų | 157 | 114.2 Ų | 114.2 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.5 | -27.4 | 175.4 | -150.5 | 162.8 | -166.2 | 0 | 0 | 112.4 | C20 S21 L22 | C20-E24 PolarHBondContact O-N 3.2Å; C20-E24 VanDerWaalsContact O-N 3.07Å; S21-E24 WeakPolarHBondContact O-CB 3.49Å; S21-E24 PolarHBondContact O-N 3.26Å; L22-E24 VanDerWaalsContact C-N 3.34Å |
| 25 | W | 45.8 | Very low | 54.2 | Low | 223 Ų | 223 | 117.5 Ų | 117.5 | 85% | 0.845 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -84.8 | -18.1 | 173.1 | -83.4 | 67.4 | 0 | 0 | 0 | 114.6 | S21 L22 A23 | S21-W25 PolarHBondContact O-N 3.17Å; S21-W25 VanDerWaalsContact O-N 3.11Å; L22-W25 PolarHBondContact O-N 2.91Å; A23-W25 VanDerWaalsContact C-N 3.31Å |
| 26 | N | 43 | Very low | 52.1 | Low | 140 Ų | 140 | 119 Ų | 119 | 75% | 0.749 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -89.2 | -7.4 | 179.5 | -77.7 | -36.4 | 0 | 0 | 0 | 113.4 | L22 A23 | L22-N26 WeakPolarHBondContact O-CB 3.45Å; L22-N26 VanDerWaalsContact O-CG 3.26Å; L22-N26 PolarHBondContact O-N 3.32Å; L22-N26 VanDerWaalsContact O-N 3.13Å; L22-N26 PolarHBondContact O-ND2 3.07Å; A23-N26 PolarHBondContact O-N 3.33Å |
| 27 | A | 49.3 | Very low | 50.4 | Low | 62 Ų | 62 | 121.2 Ų | 121.2 | 51% | 0.512 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -113.1 | 108.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 28 | T | 45.2 | Very low | 48.3 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 74% | 0.736 | 68% | 0.676 | S | S | * | * | trans | 79.9 | 92.8 | 161.7 | -32.6 | 0 | 0 | 0 | 0 | 117.3 | E30 | T28-E30 HydrophobicContact CG2-CB 4.32Š| ||
| 29 | E | 40.2 | Very low | 46.1 | Very low | 195 Ų | 195 | 132.9 Ų | 132.9 | 91% | 0.911 | 69% | 0.693 | S | S | * | * | -117 | 85.7 | 127.4 | -71.7 | -150.8 | 162.6 | 0 | 0 | 108.9 | |||||
| 30 | E | 41.8 | Very low | 44.4 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | -70.8 | 138.5 | 143.5 | -135.2 | -143.5 | 150.8 | 0 | 0 | 106.7 | T28 A32 | T28-E30 HydrophobicContact CG2-CB 4.32Å; E30-A32 PolarHBondContact O-N 3.3Å | ||
| 31 | P | 39.2 | Very low | 43.1 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | trans | -73.7 | 95.1 | -174.7 | 29.6 | -31.9 | 0 | 0 | 0 | 110.5 | N33 | P31-N33 VanDerWaalsContact C-N 3.34Å; P31-N33 PolarHBondContact O-N 3.2Å | ||
| 32 | A | 37.2 | Very low | 41.3 | Very low | 82 Ų | 82 | 140.2 Ų | 140.2 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -76.3 | 88.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | E30 K34 | E30-A32 PolarHBondContact O-N 3.3Å; A32-K34 PolarHBondContact O-N 3.33Å | ||
| 33 | N | 42.1 | Very low | 39.9 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | -45 | 107 | 153.5 | 169.5 | 13.2 | 0 | 0 | 0 | 109.8 | P31 N35 | P31-N33 VanDerWaalsContact C-N 3.34Å; P31-N33 PolarHBondContact O-N 3.2Å; N33-N35 PolarHBondContact OD1-N 2.94Å | ||
| 34 | K | 37.9 | Very low | 39.1 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | trans | -113.2 | 92.6 | 167.3 | -77.1 | -177.1 | -179.6 | 172.5 | 0 | 109.6 | A32 V36 | A32-K34 PolarHBondContact O-N 3.33Å; K34-V36 PolarHBondContact O-N 3.46Å | ||
| 35 | N | 39.8 | Very low | 39.3 | Very low | 127 Ų | 127 | 145 Ų | 145 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | -68.6 | 91.1 | 162.3 | 51.7 | -3 | 0 | 0 | 0 | 110.9 | N33 S37 | N33-N35 PolarHBondContact OD1-N 2.94Å; N35-S37 PolarHBondContact O-N 3.11Å | ||
| 36 | V | 38.3 | Very low | 39.3 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -86.5 | 92.5 | 166.1 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | K34 R38 | K34-V36 PolarHBondContact O-N 3.46Å; V36-R38 PolarHBondContact O-N 3.45Å | ||
| 37 | S | 43.2 | Very low | 39 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | -71.1 | 114.2 | 164.1 | -65.4 | 0 | 0 | 0 | 0 | 109.7 | N35 | N35-S37 PolarHBondContact O-N 3.11Š| ||
| 38 | R | 31.3 | Very low | 38.7 | Very low | 213 Ų | 213 | 146.7 Ų | 146.7 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -104.6 | 97.8 | 164.5 | -170 | -175.1 | -66.3 | 158.9 | -0.3 | 108.4 | V36 | V36-R38 PolarHBondContact O-N 3.45Š| ||
| 39 | Y | 27.4 | Very low | 38.4 | Very low | 208 Ų | 208 | 148.6 Ų | 148.6 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -69.4 | 122.5 | 166.4 | -83.7 | -93.5 | 0 | 0 | 0 | 108.9 | ||||
| 40 | H | 40.3 | Very low | 38.6 | Very low | 179 Ų | 179 | 144 Ų | 144 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | -105.3 | 116.5 | 150.5 | -97.8 | -71.8 | 0 | 0 | 0 | 108.1 | ||||
| 41 | Q | 38.2 | Very low | 38.4 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -78.1 | 128.3 | -177.2 | -176.1 | 164.2 | -8.1 | 0 | 0 | 110.1 | ||||
| 42 | G | 29.6 | Very low | 38.6 | Very low | 78 Ų | 78 | 142.8 Ų | 142.8 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -156.8 | 121.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 43 | N | 31.1 | Very low | 38.5 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -75.7 | 130.5 | -155.4 | -169.8 | 35.9 | 0 | 0 | 0 | 115.4 | ||||
| 44 | T | 36.9 | Very low | 38.3 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 61% | 0.607 | 76% | 0.761 | S | S | * | * | trans | 15.9 | 134.9 | 144.8 | -29.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 45 | N | 47 | Very low | 38.2 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | -167.9 | 106.8 | 125.2 | -78 | -15.8 | 0 | 0 | 0 | 111.4 | |||||
| 46 | N | 46.5 | Very low | 38.2 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | 37.5 | 104.7 | 154.7 | -64.2 | -15.2 | 0 | 0 | 0 | 121 | ||||
| 47 | F | 37.6 | Very low | 38.7 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | -167.6 | 144.8 | 119.7 | -161.6 | -109.7 | 0 | 0 | 0 | 111 | |||||
| 48 | T | 42.3 | Very low | 38.6 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | trans | -53.5 | 140.9 | -172.3 | -12.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 49 | D | 39.3 | Very low | 39.6 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | 65.8 | 78.6 | 150.9 | -141.6 | 16.3 | 0 | 0 | 0 | 118.3 | ||||
| 50 | S | 42.7 | Very low | 40.9 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | -171.1 | 87.8 | 157.6 | 41.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 51 | I | 39.2 | Very low | 41.8 | Very low | 179 Ų | 179 | 128.1 Ų | 128.1 | 92% | 0.918 | 73% | 0.729 | S | S | * | * | trans | -104.7 | 84.8 | 154.4 | -58 | -172.9 | 0 | 0 | 0 | 107.4 | ||||
| 52 | E | 42.3 | Very low | 43.2 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 37% | 0.374 | 71% | 0.711 | S | S | . | * | trans | -146.6 | 65.5 | 168.1 | -156.7 | 179.9 | -137.1 | 0 | 0 | 108.5 | K65 R71 | E52-K65 VanDerWaalsContact CB-NZ 3.31Å; E52-K65 PolarHBondContact O-NZ 3.27Å; E52-K65 WeakPolarHBondContact OE2-CE 3.47Å; E52-K65 IonicContact OE2-NZ 2.96Å; E52-K65 PolarHBondContact OE2-NZ 3.16Å; E52-R71 VanDerWaalsContact CD-NH2 3.25Å; E52-R71 IonicContact OE1-CZ 2.66Å; E52-R71 IonicContact OE1-NH1 2.85Å; E52-R71 PolarHBondContact OE1-NH1 2.84Å; E52-R71 IonicContact OE1-NH2 3.73Å; E52-R71 PolarHBondContact OE1-NH2 3.46Å; E52-R71 IonicContact OE2-CZ 2.9Å; E52-R71 IonicContact OE2-NH1 3.55Å; E52-R71 IonicContact OE2-NH2 2.6Å; E52-R71 PolarHBondContact OE2-NH2 2.69Å | ||
| 53 | T | 35 | Very low | 45.4 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | trans | -151.4 | 97.5 | -177.3 | 1.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 54 | A | 38.1 | Very low | 47.7 | Very low | 95 Ų | 95 | 117.9 Ų | 117.9 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -172.2 | 89 | 132.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||
| 55 | T | 36.1 | Very low | 49.7 | Very low | 127 Ų | 127 | 118.3 Ų | 118.3 | 78% | 0.779 | 65% | 0.651 | S | S | * | * | -142.4 | 111.7 | 89.1 | -48 | 0 | 0 | 0 | 0 | 110.4 | A57 | T55-A57 PolarHBondContact O-N 3.14Š| |||
| 56 | Q | 40.7 | Very low | 51.5 | Low | 181 Ų | 181 | 111.6 Ų | 111.6 | 85% | 0.846 | 62% | 0.615 | S | S | * | * | trans | -67.8 | 86.8 | 164 | -82.8 | -178.4 | -26.7 | 0 | 0 | 108.8 | ||||
| 57 | A | 48.7 | Very low | 53.2 | Low | 55 Ų | 55 | 106.5 Ų | 106.5 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | trans | -65.6 | 128.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | T55 W59 | T55-A57 PolarHBondContact O-N 3.14Å; A57-W59 PolarHBondContact O-N 2.97Å; A57-W59 PolarHBondContact O-NE1 3.13Å | ||
| 58 | K | 41.2 | Very low | 55.1 | Low | 209 Ų | 209 | 105.3 Ų | 105.3 | 91% | 0.909 | 59% | 0.585 | S | S | * | * | trans | -60.7 | 99.6 | 173.5 | 179.4 | 175 | 176.1 | 177.5 | 0 | 108.4 | S60 | K58-S60 PolarHBondContact O-N 3.13Å; K58-S60 VanDerWaalsContact O-N 3.16Å | ||
| 59 | W | 50.5 | Low | 56.7 | Low | 106 Ų | 106 | 108.3 Ų | 108.3 | 40% | 0.402 | 59% | 0.592 | S | S | . | * | trans | -75.1 | 103.1 | 179.6 | -60.7 | 81.3 | 0 | 0 | 0 | 107.9 | A57 F63 T64 R80 | A57-W59 PolarHBondContact O-N 2.97Å; A57-W59 PolarHBondContact O-NE1 3.13Å; W59-F63 HydrophobicContact CE3-CB 3.36Å; W59-F63 HydrophobicContact CZ3-CB 3.73Å; W59-T64 WeakPolarHBondContact CH2-O 3.47Å; W59-T64 WeakPolarHBondContact CZ3-O 3.45Å; W59-R80 HydrophobicContact CH2-CB 3.71Å; W59-R80 HydrophobicContact CZ3-CB 3.53Å | ||
| 60 | S | 54.8 | Low | 58.6 | Low | 75 Ų | 75 | 104.1 Ų | 104.1 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | trans | -60.9 | 138.6 | 160.8 | 41.7 | 0 | 0 | 0 | 0 | 107.9 | K58 H62 F63 | K58-S60 PolarHBondContact O-N 3.13Å; K58-S60 VanDerWaalsContact O-N 3.16Å; S60-H62 PolarHBondContact O-N 3.32Å; S60-F63 PolarHBondContact O-N 3.06Å; S60-F63 VanDerWaalsContact O-N 3.14Å | ||
| 61 | G | 59.7 | Low | 60.1 | Low | 74 Ų | 74 | 104.3 Ų | 104.3 | 76% | 0.763 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 1 | -160 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 62 | H | 67.7 | Low | 62.2 | Low | 112 Ų | 112 | 102.7 Ų | 102.7 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -15.1 | 176.5 | -64 | -91.6 | 0 | 0 | 0 | 114.1 | S60 K83 E84 | S60-H62 PolarHBondContact O-N 3.32Å; H62-K83 PolarHBondContact O-N 3.14Å; H62-E84 IonicContact ND1-OE2 3.99Å |
| 63 | F | 75.2 | Confident | 64.3 | Low | 57 Ų | 57 | 102 Ų | 102 | 25% | 0.25 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 142.2 | -175.8 | -58.5 | -77.9 | 0 | 0 | 0 | 111 | W59 S60 F81 V82 | W59-F63 HydrophobicContact CE3-CB 3.36Å; W59-F63 HydrophobicContact CZ3-CB 3.73Å; S60-F63 PolarHBondContact O-N 3.06Å; S60-F63 VanDerWaalsContact O-N 3.14Å; F63-F81 CarbonylContact C-O 3.56Å; F63-F81 WeakPolarHBondContact CA-O 3.46Å; F63-V82 HydrophobicContact CD1-CG2 3.97Å; F63-V82 HydrophobicContact CE1-CG2 3.77Å |
| 64 | T | 80.1 | Confident | 67 | Low | 40 Ų | 40 | 97.3 Ų | 97.3 | 25% | 0.245 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 166.4 | 173.9 | 47.4 | 0 | 0 | 0 | 0 | 113.2 | W59 F81 K83 | W59-T64 WeakPolarHBondContact CH2-O 3.47Å; W59-T64 WeakPolarHBondContact CZ3-O 3.45Å; T64-F81 PolarHBondContact N-O 3.14Å; T64-F81 WeakPolarHBondContact O-CB 3.36Å; T64-F81 PolarHBondContact O-N 3.22Å; T64-K83 HydrophobicContact CG2-CD 3.77Å; T64-K83 HydrophobicContact CG2-CG 4.19Å |
| 65 | K | 79.9 | Confident | 69.5 | Low | 109 Ų | 109 | 97 Ų | 97 | 47% | 0.474 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -60 | 142.7 | 176.8 | -156.6 | 174.7 | -159 | 174.3 | 0 | 110.5 | E52 | E52-K65 VanDerWaalsContact CB-NZ 3.31Å; E52-K65 PolarHBondContact O-NZ 3.27Å; E52-K65 WeakPolarHBondContact OE2-CE 3.47Å; E52-K65 IonicContact OE2-NZ 2.96Å; E52-K65 PolarHBondContact OE2-NZ 3.16Å |
| 66 | C | 84.6 | Confident | 72.1 | Confident | 11 Ų | 11 | 94.3 Ų | 94.3 | 7% | 0.074 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 136.9 | -178.2 | -69.1 | 0 | 0 | 0 | 0 | 112.2 | C79 R80 | C66-C79 HydrophobicContact CB-CB 3.85Å; C66-C79 WeakPolarHBondContact CB-SG 3.4Å; C66-C79 WeakPolarHBondContact SG-CB 3.36Å; C66-C79 CovalentContact SG-SG 2.02Å; C66-C79 PolarHBondContact SG-SG 3.43Å; C66-R80 VanDerWaalsContact SG-C 3.52Å; C66-R80 PolarHBondContact SG-N 2.78Å |
| 67 | P | 80.7 | Confident | 74.4 | Confident | 51 Ų | 51 | 86.8 Ų | 86.8 | 33% | 0.331 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 156.9 | 169.1 | -21 | 31 | 0 | 0 | 0 | 111.4 | E69 F70 R71 F81 | P67-E69 PolarHBondContact O-N 2.87Å; P67-E69 VanDerWaalsContact O-N 3.13Å; P67-F70 HydrophobicContact CB-CD2 4.41Å; P67-F70 HydrophobicContact CG-CD2 4.31Å; P67-F70 PolarHBondContact O-N 3.05Å; P67-R71 PolarHBondContact O-N 3.21Å; P67-F81 HydrophobicContact CG-CD2 4.21Å; P67-F81 HydrophobicContact CG-CE2 4.23Å |
| 68 | K | 78 | Confident | 76.3 | Confident | 172 Ų | 172 | 87.4 Ų | 87.4 | 75% | 0.748 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -55.1 | -34.4 | -178.2 | -69.9 | -176 | 179.5 | 179.9 | 0 | 112.9 | F70 R71 | K68-F70 VanDerWaalsContact C-N 3.28Å; K68-F70 PolarHBondContact O-N 2.79Å; K68-R71 PolarHBondContact O-N 3.14Å |
| 69 | E | 76.9 | Confident | 78.5 | Confident | 170 Ų | 170 | 78.8 Ų | 78.8 | 79% | 0.794 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -61.4 | -31.4 | 178.6 | -63.6 | 171.4 | -166.1 | 0 | 0 | 113.6 | P67 | P67-E69 PolarHBondContact O-N 2.87Å; P67-E69 VanDerWaalsContact O-N 3.13Å |
| 70 | F | 78.8 | Confident | 80.3 | Confident | 72 Ų | 72 | 78.1 Ų | 78.1 | 32% | 0.316 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -109.1 | 10.2 | -175.2 | -61.4 | -70.7 | 0 | 0 | 0 | 113.7 | P67 K68 N72 Y73 P88 | P67-F70 HydrophobicContact CB-CD2 4.41Å; P67-F70 HydrophobicContact CG-CD2 4.31Å; P67-F70 PolarHBondContact O-N 3.05Å; K68-F70 VanDerWaalsContact C-N 3.28Å; K68-F70 PolarHBondContact O-N 2.79Å; F70-N72 PolarHBondContact O-N 3.41Å; F70-Y73 VanDerWaalsContact O-CB 3.24Å; F70-Y73 WeakPolarHBondContact O-CB 3.48Å; F70-Y73 PolarHBondContact O-N 3.22Å; F70-P88 HydrophobicContact CB-CB 4.31Å; F70-P88 HydrophobicContact CD1-CB 4.5Å; F70-P88 HydrophobicContact CD1-CG 4.02Å; F70-P88 HydrophobicContact CE1-CG 4.37Å; F70-P88 HydrophobicContact CG-CB 4.34Å; F70-P88 HydrophobicContact CG-CG 4.29Å |
| 71 | R | 74.4 | Confident | 81.7 | Confident | 103 Ų | 103 | 75.5 Ų | 75.5 | 39% | 0.389 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -33.5 | -179.2 | -77.8 | 178.8 | 177.4 | -138.2 | -12.3 | 113.4 | E52 P67 K68 | E52-R71 VanDerWaalsContact CD-NH2 3.25Å; E52-R71 IonicContact OE1-CZ 2.66Å; E52-R71 IonicContact OE1-NH1 2.85Å; E52-R71 PolarHBondContact OE1-NH1 2.84Å; E52-R71 IonicContact OE1-NH2 3.73Å; E52-R71 PolarHBondContact OE1-NH2 3.46Å; E52-R71 IonicContact OE2-CZ 2.9Å; E52-R71 IonicContact OE2-NH1 3.55Å; E52-R71 IonicContact OE2-NH2 2.6Å; E52-R71 PolarHBondContact OE2-NH2 2.69Å; P67-R71 PolarHBondContact O-N 3.21Å; K68-R71 PolarHBondContact O-N 3.14Å |
| 72 | N | 83.4 | Confident | 82.9 | Confident | 146 Ų | 146 | 73.1 Ų | 73.1 | 78% | 0.781 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 17.6 | 179.7 | -57.5 | -29.4 | 0 | 0 | 0 | 112.4 | F70 | F70-N72 PolarHBondContact O-N 3.41Š|
| 73 | Y | 87 | Confident | 83.4 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 25% | 0.251 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -68.4 | -43.8 | 178.2 | 178.8 | -103.3 | 0 | 0 | 0 | 111.3 | F70 P88 C90 R100 | F70-Y73 VanDerWaalsContact O-CB 3.24Å; F70-Y73 WeakPolarHBondContact O-CB 3.48Å; F70-Y73 PolarHBondContact O-N 3.22Å; Y73-P88 HydrophobicContact CD1-CB 4.05Å; Y73-P88 HydrophobicContact CD1-CG 4.12Å; Y73-P88 HydrophobicContact CE1-CB 4.37Å; Y73-P88 HydrophobicContact CE1-CG 4.13Å; Y73-P88 HydrophobicContact CG-CB 4.49Å; Y73-P88 HydrophobicContact CG-CG 4.36Å; Y73-C90 VanDerWaalsContact CD1-SG 3.57Å; Y73-R100 HydrophobicContact CD1-CG 4.22Å; Y73-R100 HydrophobicContact CD2-CG 4.3Å; Y73-R100 HydrophobicContact CE1-CG 3.64Å; Y73-R100 HydrophobicContact CE2-CG 3.75Å; Y73-R100 PolarHBondContact O-NE 2.86Å; Y73-R100 PolarHBondContact O-NH2 2.84Å |
| 74 | C | 90.6 | Very high | 83.5 | Confident | 15 Ų | 15 | 78.5 Ų | 78.5 | 10% | 0.101 | 38% | 0.383 | C | S | . | . | trans | -82 | 128.9 | 174.7 | -50.1 | 0 | 0 | 0 | 0 | 110 | C79 C90 | C74-C79 VanDerWaalsContact SG-CA 3.6Å; C74-C90 WeakPolarHBondContact CA-SG 3.48Å; C74-C90 HydrophobicContact CB-CB 3.86Å; C74-C90 WeakPolarHBondContact CB-SG 3.48Å; C74-C90 WeakPolarHBondContact SG-CA 3.16Å; C74-C90 WeakPolarHBondContact SG-CB 3.45Å; C74-C90 CovalentContact SG-SG 2.03Å; C74-C90 PolarHBondContact SG-SG 2.83Å | ||
| 75 | I | 91 | Very high | 83.1 | Confident | 89 Ų | 89 | 83.6 Ų | 83.6 | 46% | 0.456 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -82.8 | -55.2 | 179.8 | -51 | -175.7 | 0 | 0 | 0 | 109.8 | R100 E102 | I75-R100 PolarHBondContact N-O 3.48Å; I75-E102 HydrophobicContact CD1-CB 3.7Å |
| 76 | H | 89.9 | Confident | 83 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 32% | 0.319 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -121.7 | 72.6 | -177.7 | -63.2 | -67.3 | 0 | 0 | 0 | 111.6 | E93 Y96 C101 | H76-E93 PolarHBondContact O-N 3.45Å; H76-E93 VanDerWaalsContact O-N 3.13Å; H76-Y96 HydrophobicContact CB-CD1 3.64Å; H76-Y96 HydrophobicContact CB-CD2 3.89Å; H76-Y96 HydrophobicContact CB-CE1 3.91Å; H76-Y96 HydrophobicContact CB-CE2 4.15Å; H76-Y96 HydrophobicContact CB-CG 3.62Å; H76-Y96 AromaticContact CD2-CD1 3.48Å; H76-Y96 VanDerWaalsContact CD2-CD1 3.48Å; H76-Y96 WeakPolarHBondContact CD2-CD1 3.23Å; H76-Y96 AromaticContact CD2-CE1 3.16Å; H76-Y96 WeakPolarHBondContact CD2-CE1 3.37Å; H76-Y96 AromaticContact CD2-CZ 3.85Å; H76-Y96 AromaticContact CG-CD1 3.67Å; H76-Y96 AromaticContact CG-CE1 3.45Å; H76-Y96 VanDerWaalsContact CG-CE1 3.45Å; H76-Y96 AromaticContact CG-CZ 3.73Å; H76-Y96 AromaticContact ND1-CZ 3.94Å; H76-Y96 AromaticContact NE2-CE1 3.65Å; H76-C101 HydrophobicContact CB-CB 4.29Å; H76-C101 VanDerWaalsContact O-CB 3.25Å; H76-C101 WeakPolarHBondContact O-CB 3.19Å |
| 77 | G | 89 | Confident | 82.8 | Confident | 23 Ų | 23 | 86.7 Ų | 86.7 | 24% | 0.237 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.8 | -168.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R91 | G77-R91 WeakPolarHBondContact CA-O 3.28Å |
| 78 | S | 88.3 | Confident | 83.1 | Confident | 69 Ų | 69 | 85.7 Ų | 85.7 | 48% | 0.483 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133 | -179.5 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | R91 | S78-R91 PolarHBondContact N-O 2.85Å; S78-R91 PolarHBondContact O-N 3.38Å |
| 79 | C | 88.1 | Confident | 83.5 | Confident | 27 Ų | 27 | 79 Ų | 79 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 136.5 | 177.9 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | C66 C74 | C66-C79 HydrophobicContact CB-CB 3.85Å; C66-C79 WeakPolarHBondContact CB-SG 3.4Å; C66-C79 WeakPolarHBondContact SG-CB 3.36Å; C66-C79 CovalentContact SG-SG 2.02Å; C66-C79 PolarHBondContact SG-SG 3.43Å; C74-C79 VanDerWaalsContact SG-CA 3.6Å |
| 80 | R | 88.2 | Confident | 84.2 | Confident | 93 Ų | 93 | 71.6 Ų | 71.6 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.9 | 170.9 | 56.1 | 171.6 | -173.6 | 179.6 | -0.4 | 111 | W59 C66 S89 | W59-R80 HydrophobicContact CH2-CB 3.71Å; W59-R80 HydrophobicContact CZ3-CB 3.53Å; C66-R80 VanDerWaalsContact SG-C 3.52Å; C66-R80 PolarHBondContact SG-N 2.78Å; R80-S89 WeakPolarHBondContact CG-O 3.41Å; R80-S89 PolarHBondContact N-O 3.44Å; R80-S89 PolarHBondContact NE-OG 2.84Å; R80-S89 PolarHBondContact NH2-OG 2.95Å; R80-S89 PolarHBondContact O-N 3.42Å |
| 81 | F | 84.9 | Confident | 84.7 | Confident | 19 Ų | 19 | 76.8 Ų | 76.8 | 8% | 0.083 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 127.1 | -179.6 | -164.1 | -100.4 | 0 | 0 | 0 | 110.9 | F63 T64 P67 N86 P88 | F63-F81 CarbonylContact C-O 3.56Å; F63-F81 WeakPolarHBondContact CA-O 3.46Å; T64-F81 PolarHBondContact N-O 3.14Å; T64-F81 WeakPolarHBondContact O-CB 3.36Å; T64-F81 PolarHBondContact O-N 3.22Å; P67-F81 HydrophobicContact CG-CD2 4.21Å; P67-F81 HydrophobicContact CG-CE2 4.23Å; F81-N86 VanDerWaalsContact CE1-OD1 3.29Å; F81-N86 WeakPolarHBondContact CE1-OD1 3.34Å; F81-N86 HydrophobicContact CZ-CB 4.39Å; F81-N86 WeakPolarHBondContact CZ-O 3.13Å; F81-N86 WeakPolarHBondContact CZ-OD1 3.38Å; F81-P88 HydrophobicContact CD2-CB 4.46Å |
| 82 | V | 85.1 | Confident | 85.5 | Confident | 24 Ų | 24 | 74 Ų | 74 | 15% | 0.145 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 106.1 | 179.2 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | F63 E84 Q85 N86 T87 | F63-V82 HydrophobicContact CD1-CG2 3.97Å; F63-V82 HydrophobicContact CE1-CG2 3.77Å; V82-E84 VanDerWaalsContact C-N 3.28Å; V82-E84 PolarHBondContact O-N 3.43Å; V82-Q85 PolarHBondContact O-N 3.46Å; V82-N86 WeakPolarHBondContact O-CA 3.12Å; V82-N86 PolarHBondContact O-N 2.9Å; V82-T87 PolarHBondContact N-O 3.39Å; V82-T87 PolarHBondContact O-N 3.36Å |
| 83 | K | 77.6 | Confident | 85.6 | Confident | 129 Ų | 129 | 72.5 Ų | 72.5 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -37.3 | -175.2 | -82.9 | -177.7 | 160.4 | 170.1 | 0 | 113.2 | H62 T64 Q85 N86 | H62-K83 PolarHBondContact O-N 3.14Å; T64-K83 HydrophobicContact CG2-CD 3.77Å; T64-K83 HydrophobicContact CG2-CG 4.19Å; K83-Q85 VanDerWaalsContact C-N 3.31Å; K83-Q85 PolarHBondContact O-N 3.28Å; K83-N86 PolarHBondContact O-N 2.84Å |
| 84 | E | 76.3 | Confident | 85.5 | Confident | 154 Ų | 154 | 77.9 Ų | 77.9 | 72% | 0.72 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -27.4 | -172.6 | -165.6 | 163.6 | -169.9 | 0 | 0 | 113.3 | H62 V82 | H62-E84 IonicContact ND1-OE2 3.99Å; V82-E84 VanDerWaalsContact C-N 3.28Å; V82-E84 PolarHBondContact O-N 3.43Å |
| 85 | Q | 72.4 | Confident | 85.1 | Confident | 146 Ų | 146 | 77.8 Ų | 77.8 | 68% | 0.682 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -1.4 | 178.9 | -66.8 | -178.3 | 33.3 | 0 | 0 | 112.9 | V82 K83 T87 | V82-Q85 PolarHBondContact O-N 3.46Å; K83-Q85 VanDerWaalsContact C-N 3.31Å; K83-Q85 PolarHBondContact O-N 3.28Å; Q85-T87 WeakPolarHBondContact O-CG2 3.44Å; Q85-T87 PolarHBondContact O-N 2.83Å |
| 86 | N | 76.9 | Confident | 84.9 | Confident | 125 Ų | 125 | 76.9 Ų | 76.9 | 67% | 0.668 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 33.7 | -176.2 | -144.8 | 28.1 | 0 | 0 | 0 | 113.5 | F81 V82 K83 | F81-N86 VanDerWaalsContact CE1-OD1 3.29Å; F81-N86 WeakPolarHBondContact CE1-OD1 3.34Å; F81-N86 HydrophobicContact CZ-CB 4.39Å; F81-N86 WeakPolarHBondContact CZ-O 3.13Å; F81-N86 WeakPolarHBondContact CZ-OD1 3.38Å; V82-N86 WeakPolarHBondContact O-CA 3.12Å; V82-N86 PolarHBondContact O-N 2.9Å; K83-N86 PolarHBondContact O-N 2.84Å |
| 87 | T | 81.9 | Confident | 84.8 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.4 | -175.6 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | V82 Q85 | V82-T87 PolarHBondContact N-O 3.39Å; V82-T87 PolarHBondContact O-N 3.36Å; Q85-T87 WeakPolarHBondContact O-CG2 3.44Å; Q85-T87 PolarHBondContact O-N 2.83Å |
| 88 | P | 85.7 | Confident | 84.8 | Confident | 29 Ų | 29 | 78 Ų | 78 | 19% | 0.188 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 143.7 | 171.4 | 32.5 | -33.8 | 0 | 0 | 0 | 111 | F70 Y73 F81 | F70-P88 HydrophobicContact CB-CB 4.31Å; F70-P88 HydrophobicContact CD1-CB 4.5Å; F70-P88 HydrophobicContact CD1-CG 4.02Å; F70-P88 HydrophobicContact CE1-CG 4.37Å; F70-P88 HydrophobicContact CG-CB 4.34Å; F70-P88 HydrophobicContact CG-CG 4.29Å; Y73-P88 HydrophobicContact CD1-CB 4.05Å; Y73-P88 HydrophobicContact CD1-CG 4.12Å; Y73-P88 HydrophobicContact CE1-CB 4.37Å; Y73-P88 HydrophobicContact CE1-CG 4.13Å; Y73-P88 HydrophobicContact CG-CB 4.49Å; Y73-P88 HydrophobicContact CG-CG 4.36Å; F81-P88 HydrophobicContact CD2-CB 4.46Å |
| 89 | S | 87.8 | Confident | 84.7 | Confident | 32 Ų | 32 | 78.6 Ų | 78.6 | 22% | 0.224 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 142.8 | 174.4 | 173 | 0 | 0 | 0 | 0 | 109.5 | R80 | R80-S89 WeakPolarHBondContact CG-O 3.41Å; R80-S89 PolarHBondContact N-O 3.44Å; R80-S89 PolarHBondContact NE-OG 2.84Å; R80-S89 PolarHBondContact NH2-OG 2.95Å; R80-S89 PolarHBondContact O-N 3.42Å |
| 90 | C | 90.4 | Very high | 84.9 | Confident | 15 Ų | 15 | 81.4 Ų | 81.4 | 10% | 0.101 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139.6 | 179.2 | -61.8 | 0 | 0 | 0 | 0 | 111.3 | Y73 C74 S99 C101 | Y73-C90 VanDerWaalsContact CD1-SG 3.57Å; C74-C90 WeakPolarHBondContact CA-SG 3.48Å; C74-C90 HydrophobicContact CB-CB 3.86Å; C74-C90 WeakPolarHBondContact CB-SG 3.48Å; C74-C90 WeakPolarHBondContact SG-CA 3.16Å; C74-C90 WeakPolarHBondContact SG-CB 3.45Å; C74-C90 CovalentContact SG-SG 2.03Å; C74-C90 PolarHBondContact SG-SG 2.83Å; C90-S99 WeakPolarHBondContact CB-O 3.4Å; C90-S99 PolarHBondContact SG-O 2.76Å; C90-C101 VanDerWaalsContact CB-SG 3.53Å |
| 91 | R | 89.6 | Confident | 85 | Confident | 180 Ų | 180 | 77 Ų | 77 | 68% | 0.679 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 103.3 | 163.4 | -176.8 | 179.3 | -179.4 | -109.6 | 1.3 | 107.8 | G77 S78 | G77-R91 WeakPolarHBondContact CA-O 3.28Å; S78-R91 PolarHBondContact N-O 2.85Å; S78-R91 PolarHBondContact O-N 3.38Å |
| 92 | C | 90.3 | Very high | 85.2 | Confident | 44 Ų | 44 | 79.6 Ų | 79.6 | 30% | 0.297 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 148.6 | -176.2 | -53.5 | 0 | 0 | 0 | 0 | 112.8 | Y96 C101 | C92-Y96 WeakPolarHBondContact CB-O 3.24Å; C92-C101 WeakPolarHBondContact CA-SG 3.31Å; C92-C101 HydrophobicContact CB-CB 3.67Å; C92-C101 WeakPolarHBondContact CB-SG 3.16Å; C92-C101 PolarHBondContact N-SG 3.34Å; C92-C101 VanDerWaalsContact SG-CA 3.51Å; C92-C101 WeakPolarHBondContact SG-CB 3.23Å; C92-C101 CovalentContact SG-SG 2.03Å; C92-C101 PolarHBondContact SG-SG 3.28Å |
| 93 | E | 87.1 | Confident | 85.2 | Confident | 115 Ų | 115 | 85 Ų | 85 | 54% | 0.537 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 164.4 | 167.7 | -78.2 | 173 | -164.3 | 0 | 0 | 111.5 | H76 G95 Y96 | H76-E93 PolarHBondContact O-N 3.45Å; H76-E93 VanDerWaalsContact O-N 3.13Å; E93-G95 PolarHBondContact O-N 3.5Å; E93-Y96 HydrophobicContact CB-CD2 4.38Å; E93-Y96 PolarHBondContact O-N 2.84Å; E93-Y96 VanDerWaalsContact O-N 3.14Å |
| 94 | K | 83.3 | Confident | 85.5 | Confident | 178 Ų | 178 | 82 Ų | 82 | 77% | 0.774 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 131.3 | -178.6 | -69.9 | -176.5 | -179.7 | 179.9 | 0 | 110.1 | W108 | K94-W108 HydrophobicContact CD-CH2 4.48Š|
| 95 | G | 82.3 | Confident | 85.7 | Confident | 12 Ų | 12 | 76.8 Ų | 76.8 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 9.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E93 V104 D105 | E93-G95 PolarHBondContact O-N 3.5Å; G95-V104 CarbonylContact O-C 3.5Å; G95-V104 WeakPolarHBondContact O-CA 3.45Å; G95-D105 PolarHBondContact O-N 3.45Å |
| 96 | Y | 87.5 | Confident | 85.5 | Confident | 71 Ų | 71 | 75.5 Ų | 75.5 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.6 | 171 | -69 | -89.8 | 0 | 0 | 0 | 111.3 | H76 C92 E93 Y103 V104 | H76-Y96 HydrophobicContact CB-CD1 3.64Å; H76-Y96 HydrophobicContact CB-CD2 3.89Å; H76-Y96 HydrophobicContact CB-CE1 3.91Å; H76-Y96 HydrophobicContact CB-CE2 4.15Å; H76-Y96 HydrophobicContact CB-CG 3.62Å; H76-Y96 AromaticContact CD2-CD1 3.48Å; H76-Y96 VanDerWaalsContact CD2-CD1 3.48Å; H76-Y96 WeakPolarHBondContact CD2-CD1 3.23Å; H76-Y96 AromaticContact CD2-CE1 3.16Å; H76-Y96 WeakPolarHBondContact CD2-CE1 3.37Å; H76-Y96 AromaticContact CD2-CZ 3.85Å; H76-Y96 AromaticContact CG-CD1 3.67Å; H76-Y96 AromaticContact CG-CE1 3.45Å; H76-Y96 VanDerWaalsContact CG-CE1 3.45Å; H76-Y96 AromaticContact CG-CZ 3.73Å; H76-Y96 AromaticContact ND1-CZ 3.94Å; H76-Y96 AromaticContact NE2-CE1 3.65Å; C92-Y96 WeakPolarHBondContact CB-O 3.24Å; E93-Y96 HydrophobicContact CB-CD2 4.38Å; E93-Y96 PolarHBondContact O-N 2.84Å; E93-Y96 VanDerWaalsContact O-N 3.14Å; Y96-Y103 CarbonylContact C-O 3.56Å; Y96-Y103 VanDerWaalsContact CA-O 3.28Å; Y96-Y103 WeakPolarHBondContact CA-O 3.31Å; Y96-V104 HydrophobicContact CD1-CG2 4.07Å; Y96-V104 HydrophobicContact CE1-CG2 3.66Å |
| 97 | I | 87.4 | Confident | 84.9 | Confident | 78 Ų | 78 | 72.6 Ų | 72.6 | 40% | 0.4 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 167.4 | -177.9 | 59.5 | 169.3 | 0 | 0 | 0 | 111.4 | C101 E102 Y103 D105 | I97-C101 CarbonylContact O-C 3.54Å; I97-C101 WeakPolarHBondContact O-CA 3.21Å; I97-E102 PolarHBondContact O-N 3.4Å; I97-Y103 PolarHBondContact N-O 2.85Å; I97-Y103 PolarHBondContact O-N 3.19Å; I97-D105 HydrophobicContact CD1-CB 4.36Å; I97-D105 HydrophobicContact CG1-CB 4.24Å; I97-D105 HydrophobicContact CG2-CB 3.83Å |
| 98 | G | 88.9 | Confident | 83.9 | Confident | 37 Ų | 37 | 75.1 Ų | 75.1 | 38% | 0.381 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 107.2 | 167.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R100 C101 | G98-R100 PolarHBondContact O-N 2.82Å; G98-C101 PolarHBondContact O-N 2.99Å |
| 99 | S | 87.9 | Confident | 82.6 | Confident | 81 Ų | 81 | 81.1 Ų | 81.1 | 57% | 0.566 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.7 | -177.7 | 53.4 | 0 | 0 | 0 | 0 | 113 | C90 | C90-S99 WeakPolarHBondContact CB-O 3.4Å; C90-S99 PolarHBondContact SG-O 2.76Å |
| 100 | R | 91.3 | Very high | 81.2 | Confident | 87 Ų | 87 | 84.5 Ų | 84.5 | 33% | 0.328 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 7.1 | 179 | -63.6 | 179.3 | 69.4 | -170.9 | -2 | 113.8 | Y73 I75 G98 E102 | Y73-R100 HydrophobicContact CD1-CG 4.22Å; Y73-R100 HydrophobicContact CD2-CG 4.3Å; Y73-R100 HydrophobicContact CE1-CG 3.64Å; Y73-R100 HydrophobicContact CE2-CG 3.75Å; Y73-R100 PolarHBondContact O-NE 2.86Å; Y73-R100 PolarHBondContact O-NH2 2.84Å; I75-R100 PolarHBondContact N-O 3.48Å; G98-R100 PolarHBondContact O-N 2.82Å; R100-E102 VanDerWaalsContact C-N 3.28Å; R100-E102 PolarHBondContact O-N 3.25Å |
| 101 | C | 90.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 43% | 0.425 | C | S | . | . | S | Bend | trans | 57.2 | 42.8 | -171.7 | -43.3 | 0 | 0 | 0 | 0 | 112 | H76 C90 C92 I97 G98 | H76-C101 HydrophobicContact CB-CB 4.29Å; H76-C101 VanDerWaalsContact O-CB 3.25Å; H76-C101 WeakPolarHBondContact O-CB 3.19Å; C90-C101 VanDerWaalsContact CB-SG 3.53Å; C92-C101 WeakPolarHBondContact CA-SG 3.31Å; C92-C101 HydrophobicContact CB-CB 3.67Å; C92-C101 WeakPolarHBondContact CB-SG 3.16Å; C92-C101 PolarHBondContact N-SG 3.34Å; C92-C101 VanDerWaalsContact SG-CA 3.51Å; C92-C101 WeakPolarHBondContact SG-CB 3.23Å; C92-C101 CovalentContact SG-SG 2.03Å; C92-C101 PolarHBondContact SG-SG 3.28Å; I97-C101 CarbonylContact O-C 3.54Å; I97-C101 WeakPolarHBondContact O-CA 3.21Å; G98-C101 PolarHBondContact O-N 2.99Å |
| 102 | E | 88.8 | Confident | 78.7 | Confident | 73 Ų | 73 | 80 Ų | 80 | 34% | 0.341 | 41% | 0.41 | S | S | . | . | trans | -90.3 | -21.1 | -174.3 | 67.3 | -166.7 | 177.7 | 0 | 0 | 113.2 | I75 I97 R100 | I75-E102 HydrophobicContact CD1-CB 3.7Å; I97-E102 PolarHBondContact O-N 3.4Å; R100-E102 VanDerWaalsContact C-N 3.28Å; R100-E102 PolarHBondContact O-N 3.25Å | ||
| 103 | Y | 86.5 | Confident | 77.7 | Confident | 139 Ų | 139 | 83 Ų | 83 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 144.6 | 179.9 | -53.3 | -70.8 | 0 | 0 | 0 | 110.7 | Y96 I97 | Y96-Y103 CarbonylContact C-O 3.56Å; Y96-Y103 VanDerWaalsContact CA-O 3.28Å; Y96-Y103 WeakPolarHBondContact CA-O 3.31Å; I97-Y103 PolarHBondContact N-O 2.85Å; I97-Y103 PolarHBondContact O-N 3.19Å |
| 104 | V | 83.2 | Confident | 77.1 | Confident | 64 Ų | 64 | 85.5 Ų | 85.5 | 39% | 0.388 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 131.6 | 168.6 | 177.8 | 0 | 0 | 0 | 0 | 108.3 | G95 Y96 L106 | G95-V104 CarbonylContact O-C 3.5Å; G95-V104 WeakPolarHBondContact O-CA 3.45Å; Y96-V104 HydrophobicContact CD1-CG2 4.07Å; Y96-V104 HydrophobicContact CE1-CG2 3.66Å; V104-L106 WeakPolarHBondContact O-CD1 3.22Å; V104-L106 PolarHBondContact O-N 2.9Å |
| 105 | D | 80.8 | Confident | 76.8 | Confident | 45 Ų | 45 | 83.4 Ų | 83.4 | 24% | 0.241 | 42% | 0.417 | C | S | . | . | trans | -72.8 | 98.3 | 174.4 | -168.8 | -1 | 0 | 0 | 0 | 109.9 | G95 I97 A107 W108 R109 | G95-D105 PolarHBondContact O-N 3.45Å; I97-D105 HydrophobicContact CD1-CB 4.36Å; I97-D105 HydrophobicContact CG1-CB 4.24Å; I97-D105 HydrophobicContact CG2-CB 3.83Å; D105-A107 PolarHBondContact O-N 3.47Å; D105-A107 WeakPolarHBondContact OD1-CA 3.39Å; D105-A107 WeakPolarHBondContact OD1-CB 3.13Å; D105-A107 PolarHBondContact OD1-N 2.77Å; D105-W108 HydrophobicContact CB-CB 4.04Å; D105-W108 WeakPolarHBondContact O-CB 3.12Å; D105-W108 PolarHBondContact O-N 3.25Å; D105-W108 VanDerWaalsContact O-N 3.14Å; D105-R109 PolarHBondContact O-N 2.8Å | ||
| 106 | L | 68.3 | Low | 76.7 | Confident | 119 Ų | 119 | 87.6 Ų | 87.6 | 62% | 0.623 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.4 | -26.7 | 173 | -88.1 | 72.3 | 0 | 0 | 0 | 111.2 | V104 W108 R109 I110 | V104-L106 WeakPolarHBondContact O-CD1 3.22Å; V104-L106 PolarHBondContact O-N 2.9Å; L106-W108 VanDerWaalsContact C-N 3.31Å; L106-W108 PolarHBondContact O-N 2.9Å; L106-R109 WeakPolarHBondContact O-CB 3.24Å; L106-R109 PolarHBondContact O-N 2.81Å; L106-I110 HydrophobicContact CB-CD1 4.33Å; L106-I110 WeakPolarHBondContact O-CB 3.15Å; L106-I110 VanDerWaalsContact O-CD1 3.31Å; L106-I110 WeakPolarHBondContact O-CD1 3.39Å; L106-I110 PolarHBondContact O-N 3.32Å |
| 107 | A | 63.3 | Low | 76.5 | Confident | 64 Ų | 64 | 89.1 Ų | 89.1 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68 | -31.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D105 I110 G111 | D105-A107 PolarHBondContact O-N 3.47Å; D105-A107 WeakPolarHBondContact OD1-CA 3.39Å; D105-A107 WeakPolarHBondContact OD1-CB 3.13Å; D105-A107 PolarHBondContact OD1-N 2.77Å; A107-I110 PolarHBondContact O-N 3.32Å; A107-G111 PolarHBondContact O-N 2.86Å |
| 108 | W | 61.3 | Low | 76.5 | Confident | 115 Ų | 115 | 88.8 Ų | 88.8 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 170.2 | -178.6 | -95.8 | 0 | 0 | 0 | 111.2 | K94 D105 L106 I110 G111 D112 | K94-W108 HydrophobicContact CD-CH2 4.48Å; D105-W108 HydrophobicContact CB-CB 4.04Å; D105-W108 WeakPolarHBondContact O-CB 3.12Å; D105-W108 PolarHBondContact O-N 3.25Å; D105-W108 VanDerWaalsContact O-N 3.14Å; L106-W108 VanDerWaalsContact C-N 3.31Å; L106-W108 PolarHBondContact O-N 2.9Å; W108-I110 VanDerWaalsContact C-N 3.35Å; W108-I110 PolarHBondContact O-N 3.41Å; W108-G111 PolarHBondContact O-N 3.5Å; W108-D112 PolarHBondContact NE1-OD2 3.39Å; W108-D112 PolarHBondContact O-N 2.94Å |
| 109 | R | 58.5 | Low | 76.4 | Confident | 155 Ų | 155 | 89.7 Ų | 89.7 | 59% | 0.585 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.2 | -44.7 | 174.4 | -76.5 | -105.3 | -168 | -106.5 | 0.9 | 111.7 | D105 L106 Q113 | D105-R109 PolarHBondContact O-N 2.8Å; L106-R109 WeakPolarHBondContact O-CB 3.24Å; L106-R109 PolarHBondContact O-N 2.81Å; R109-Q113 WeakPolarHBondContact O-CB 3.22Å; R109-Q113 WeakPolarHBondContact O-CG 3.22Å; R109-Q113 PolarHBondContact O-N 3.3Å |
| 110 | I | 59.4 | Low | 76.4 | Confident | 102 Ų | 102 | 89.5 Ų | 89.5 | 52% | 0.523 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -73.3 | -34.4 | -178.6 | -84.7 | 136 | 0 | 0 | 0 | 112.6 | L106 A107 W108 R114 | L106-I110 HydrophobicContact CB-CD1 4.33Å; L106-I110 WeakPolarHBondContact O-CB 3.15Å; L106-I110 VanDerWaalsContact O-CD1 3.31Å; L106-I110 WeakPolarHBondContact O-CD1 3.39Å; L106-I110 PolarHBondContact O-N 3.32Å; A107-I110 PolarHBondContact O-N 3.32Å; W108-I110 VanDerWaalsContact C-N 3.35Å; W108-I110 PolarHBondContact O-N 3.41Å; I110-R114 WeakPolarHBondContact O-CB 3.35Å; I110-R114 PolarHBondContact O-N 2.88Å |
| 111 | G | 62.4 | Low | 76.5 | Confident | 33 Ų | 33 | 89.2 Ų | 89.2 | 34% | 0.34 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A107 W108 Q115 | A107-G111 PolarHBondContact O-N 2.86Å; W108-G111 PolarHBondContact O-N 3.5Å; G111-Q115 PolarHBondContact O-N 2.86Å |
| 112 | D | 64.4 | Low | 76.7 | Confident | 68 Ų | 68 | 93.9 Ų | 93.9 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.8 | -44.1 | 177.2 | -75 | -12.7 | 0 | 0 | 0 | 111.3 | W108 R114 Q115 I116 | W108-D112 PolarHBondContact NE1-OD2 3.39Å; W108-D112 PolarHBondContact O-N 2.94Å; D112-R114 PolarHBondContact O-N 3.42Å; D112-Q115 PolarHBondContact O-N 3.35Å; D112-I116 WeakPolarHBondContact O-CD1 3.2Å; D112-I116 WeakPolarHBondContact O-CG1 3.33Å; D112-I116 PolarHBondContact O-N 3.41Å |
| 113 | Q | 68.5 | Low | 76.6 | Confident | 107 Ų | 107 | 93.3 Ų | 93.3 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 179.7 | -76.1 | -177.2 | -20.6 | 0 | 0 | 112.6 | R109 Q115 I116 I117 | R109-Q113 WeakPolarHBondContact O-CB 3.22Å; R109-Q113 WeakPolarHBondContact O-CG 3.22Å; R109-Q113 PolarHBondContact O-N 3.3Å; Q113-Q115 VanDerWaalsContact C-N 3.34Å; Q113-Q115 PolarHBondContact O-N 3.46Å; Q113-I116 PolarHBondContact O-N 2.94Å; Q113-I117 WeakPolarHBondContact O-CB 3.4Å; Q113-I117 WeakPolarHBondContact O-CD1 3.47Å; Q113-I117 WeakPolarHBondContact O-CG1 3.38Å; Q113-I117 PolarHBondContact O-N 3.48Å |
| 114 | R | 74.1 | Confident | 76.7 | Confident | 167 Ų | 167 | 89.5 Ų | 89.5 | 63% | 0.63 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 177.3 | -176.3 | -179.6 | -179.5 | -80.1 | -1.6 | 111.5 | I110 D112 I118 | I110-R114 WeakPolarHBondContact O-CB 3.35Å; I110-R114 PolarHBondContact O-N 2.88Å; D112-R114 PolarHBondContact O-N 3.42Å; R114-I118 HydrophobicContact CG-CD1 3.93Å; R114-I118 VanDerWaalsContact NH1-CD1 3.35Å; R114-I118 WeakPolarHBondContact O-CD1 3.29Å; R114-I118 WeakPolarHBondContact O-CG1 3.31Å; R114-I118 PolarHBondContact O-N 2.93Å |
| 115 | Q | 78.1 | Confident | 77.3 | Confident | 134 Ų | 134 | 91.1 Ų | 91.1 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.8 | -42 | 177.6 | -69.5 | -169.5 | 49.7 | 0 | 0 | 111.8 | G111 D112 Q113 I118 A119 | G111-Q115 PolarHBondContact O-N 2.86Å; D112-Q115 PolarHBondContact O-N 3.35Å; Q113-Q115 VanDerWaalsContact C-N 3.34Å; Q113-Q115 PolarHBondContact O-N 3.46Å; Q115-I118 PolarHBondContact O-N 3.3Å; Q115-A119 WeakPolarHBondContact O-CB 3.38Å; Q115-A119 PolarHBondContact O-N 3.43Å |
| 116 | I | 79.2 | Confident | 77.8 | Confident | 101 Ų | 101 | 92.6 Ų | 92.6 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -47 | 176.1 | -66.6 | 165.1 | 0 | 0 | 0 | 110.6 | D112 Q113 I118 A119 C120 | D112-I116 WeakPolarHBondContact O-CD1 3.2Å; D112-I116 WeakPolarHBondContact O-CG1 3.33Å; D112-I116 PolarHBondContact O-N 3.41Å; Q113-I116 PolarHBondContact O-N 2.94Å; I116-I118 PolarHBondContact O-N 3.24Å; I116-A119 PolarHBondContact O-N 3.35Å; I116-C120 WeakPolarHBondContact O-CB 3.2Å; I116-C120 PolarHBondContact O-N 3.38Å; I116-C120 PolarHBondContact O-SG 3.31Å |
| 117 | I | 83.6 | Confident | 78.8 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 178.5 | -69.1 | 163.1 | 0 | 0 | 0 | 110.6 | Q113 A119 C120 V121 | Q113-I117 WeakPolarHBondContact O-CB 3.4Å; Q113-I117 WeakPolarHBondContact O-CD1 3.47Å; Q113-I117 WeakPolarHBondContact O-CG1 3.38Å; Q113-I117 PolarHBondContact O-N 3.48Å; I117-A119 PolarHBondContact O-N 2.93Å; I117-C120 PolarHBondContact O-N 2.85Å; I117-V121 HydrophobicContact CG2-CG2 4.41Å; I117-V121 VanDerWaalsContact O-CG2 3.29Å; I117-V121 WeakPolarHBondContact O-CG2 3.39Å; I117-V121 PolarHBondContact O-N 3.1Å |
| 118 | I | 87.7 | Confident | 80 | Confident | 70 Ų | 70 | 94.1 Ų | 94.1 | 36% | 0.359 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 177.8 | -68.7 | 164.7 | 0 | 0 | 0 | 110.7 | R114 Q115 I116 C120 V121 I122 | R114-I118 HydrophobicContact CG-CD1 3.93Å; R114-I118 VanDerWaalsContact NH1-CD1 3.35Å; R114-I118 WeakPolarHBondContact O-CD1 3.29Å; R114-I118 WeakPolarHBondContact O-CG1 3.31Å; R114-I118 PolarHBondContact O-N 2.93Å; Q115-I118 PolarHBondContact O-N 3.3Å; I116-I118 PolarHBondContact O-N 3.24Å; I118-C120 PolarHBondContact O-N 3.31Å; I118-V121 PolarHBondContact O-N 2.99Å; I118-I122 HydrophobicContact CG2-CD1 3.78Å; I118-I122 HydrophobicContact CG2-CG1 4.48Å; I118-I122 VanDerWaalsContact O-CG1 3.31Å; I118-I122 WeakPolarHBondContact O-CG1 3.43Å; I118-I122 PolarHBondContact O-N 3.29Å |
| 119 | A | 86.4 | Confident | 81.5 | Confident | 57 Ų | 57 | 93.3 Ų | 93.3 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q115 I116 I117 I122 A123 | Q115-A119 WeakPolarHBondContact O-CB 3.38Å; Q115-A119 PolarHBondContact O-N 3.43Å; I116-A119 PolarHBondContact O-N 3.35Å; I117-A119 PolarHBondContact O-N 2.93Å; A119-I122 PolarHBondContact O-N 3.04Å; A119-A123 WeakPolarHBondContact O-CB 3.29Å; A119-A123 PolarHBondContact O-N 3.02Å |
| 120 | C | 87.8 | Confident | 82.9 | Confident | 77 Ų | 77 | 90.9 Ų | 90.9 | 52% | 0.52 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.9 | -70.7 | 0 | 0 | 0 | 0 | 112.3 | I116 I117 I118 A123 A124 | I116-C120 WeakPolarHBondContact O-CB 3.2Å; I116-C120 PolarHBondContact O-N 3.38Å; I116-C120 PolarHBondContact O-SG 3.31Å; I117-C120 PolarHBondContact O-N 2.85Å; I118-C120 PolarHBondContact O-N 3.31Å; C120-A123 PolarHBondContact O-N 3.3Å; C120-A124 WeakPolarHBondContact O-CB 3.38Å; C120-A124 PolarHBondContact O-N 2.93Å |
| 121 | V | 93.2 | Very high | 84.1 | Confident | 80 Ų | 80 | 89 Ų | 89 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 178.3 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | I117 I118 A123 A124 L125 | I117-V121 HydrophobicContact CG2-CG2 4.41Å; I117-V121 VanDerWaalsContact O-CG2 3.29Å; I117-V121 WeakPolarHBondContact O-CG2 3.39Å; I117-V121 PolarHBondContact O-N 3.1Å; I118-V121 PolarHBondContact O-N 2.99Å; V121-A123 PolarHBondContact O-N 3.28Å; V121-A124 PolarHBondContact O-N 3.44Å; V121-L125 HydrophobicContact CG1-CD1 4.03Å; V121-L125 WeakPolarHBondContact O-CG 3.39Å; V121-L125 PolarHBondContact O-N 3.47Å |
| 122 | I | 95 | Very high | 85.2 | Confident | 98 Ų | 98 | 91.8 Ų | 91.8 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 177 | -66.7 | 166.9 | 0 | 0 | 0 | 110.5 | I118 A119 A124 L125 V126 | I118-I122 HydrophobicContact CG2-CD1 3.78Å; I118-I122 HydrophobicContact CG2-CG1 4.48Å; I118-I122 VanDerWaalsContact O-CG1 3.31Å; I118-I122 WeakPolarHBondContact O-CG1 3.43Å; I118-I122 PolarHBondContact O-N 3.29Å; A119-I122 PolarHBondContact O-N 3.04Å; I122-A124 VanDerWaalsContact C-N 3.34Å; I122-A124 PolarHBondContact O-N 3.29Å; I122-L125 PolarHBondContact O-N 2.95Å; I122-V126 HydrophobicContact CG2-CG2 4.42Å; I122-V126 WeakPolarHBondContact O-CG2 3.33Å; I122-V126 PolarHBondContact O-N 3.41Å |
| 123 | A | 88 | Confident | 86.2 | Confident | 61 Ų | 61 | 92.6 Ų | 92.6 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A119 C120 V121 V126 F127 | A119-A123 WeakPolarHBondContact O-CB 3.29Å; A119-A123 PolarHBondContact O-N 3.02Å; C120-A123 PolarHBondContact O-N 3.3Å; V121-A123 PolarHBondContact O-N 3.28Å; A123-V126 PolarHBondContact O-N 2.96Å; A123-F127 WeakPolarHBondContact O-CB 3.3Å; A123-F127 PolarHBondContact O-N 3Å |
| 124 | A | 88.1 | Confident | 86.9 | Confident | 60 Ų | 60 | 90 Ų | 90 | 50% | 0.496 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C120 V121 I122 F127 L128 | C120-A124 WeakPolarHBondContact O-CB 3.38Å; C120-A124 PolarHBondContact O-N 2.93Å; V121-A124 PolarHBondContact O-N 3.44Å; I122-A124 VanDerWaalsContact C-N 3.34Å; I122-A124 PolarHBondContact O-N 3.29Å; A124-F127 PolarHBondContact O-N 3.44Å; A124-L128 WeakPolarHBondContact O-CB 3.5Å; A124-L128 PolarHBondContact O-N 3.24Å |
| 125 | L | 95.2 | Very high | 87.2 | Confident | 97 Ų | 97 | 87.2 Ų | 87.2 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 176.6 | -73.5 | 169.7 | 0 | 0 | 0 | 111.8 | V121 I122 F127 L128 I129 | V121-L125 HydrophobicContact CG1-CD1 4.03Å; V121-L125 WeakPolarHBondContact O-CG 3.39Å; V121-L125 PolarHBondContact O-N 3.47Å; I122-L125 PolarHBondContact O-N 2.95Å; L125-F127 VanDerWaalsContact C-N 3.34Å; L125-F127 PolarHBondContact O-N 2.97Å; L125-L128 PolarHBondContact O-N 3.49Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.38Å; L125-I129 PolarHBondContact O-N 3.47Å |
| 126 | V | 92.4 | Very high | 87.4 | Confident | 76 Ų | 76 | 84.4 Ų | 84.4 | 46% | 0.461 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | I122 A123 L128 I129 L130 | I122-V126 HydrophobicContact CG2-CG2 4.42Å; I122-V126 WeakPolarHBondContact O-CG2 3.33Å; I122-V126 PolarHBondContact O-N 3.41Å; A123-V126 PolarHBondContact O-N 2.96Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 3.17Å; V126-I129 PolarHBondContact O-N 3.39Å; V126-L130 HydrophobicContact CG1-CD1 4.13Å; V126-L130 HydrophobicContact CG1-CG 4.48Å; V126-L130 WeakPolarHBondContact O-CG 3.33Å; V126-L130 PolarHBondContact O-N 2.86Å |
| 127 | F | 88.3 | Confident | 87.4 | Confident | 121 Ų | 121 | 84.2 Ų | 84.2 | 53% | 0.531 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 177.4 | -174.4 | -106.2 | 0 | 0 | 0 | 112 | A123 A124 L125 I129 L130 L131 | A123-F127 WeakPolarHBondContact O-CB 3.3Å; A123-F127 PolarHBondContact O-N 3Å; A124-F127 PolarHBondContact O-N 3.44Å; L125-F127 VanDerWaalsContact C-N 3.34Å; L125-F127 PolarHBondContact O-N 2.97Å; F127-I129 PolarHBondContact O-N 3.27Å; F127-L130 PolarHBondContact O-N 3Å; F127-L131 HydrophobicContact CD1-CD1 3.84Å; F127-L131 HydrophobicContact CD1-CG 4.24Å; F127-L131 HydrophobicContact CE1-CD1 3.43Å; F127-L131 VanDerWaalsContact CE1-CD1 3.43Å; F127-L131 HydrophobicContact CE1-CD2 4.39Å; F127-L131 HydrophobicContact CE1-CG 3.96Å; F127-L131 HydrophobicContact CZ-CD1 4.02Å; F127-L131 HydrophobicContact CZ-CD2 4.14Å; F127-L131 HydrophobicContact CZ-CG 4.16Å; F127-L131 WeakPolarHBondContact O-CG 3.33Å; F127-L131 PolarHBondContact O-N 3.5Å |
| 128 | L | 88.3 | Confident | 87 | Confident | 95 Ų | 95 | 81.3 Ų | 81.3 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 177.3 | -174.2 | 65.3 | 0 | 0 | 0 | 112 | A124 L125 V126 L130 L131 I132 | A124-L128 WeakPolarHBondContact O-CB 3.5Å; A124-L128 PolarHBondContact O-N 3.24Å; L125-L128 PolarHBondContact O-N 3.49Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 3.17Å; L128-L130 PolarHBondContact O-N 3.18Å; L128-L131 PolarHBondContact O-N 3.37Å; L128-I132 HydrophobicContact CG-CD1 4.22Å; L128-I132 WeakPolarHBondContact O-CG1 3.41Å; L128-I132 PolarHBondContact O-N 3.45Å |
| 129 | I | 92.2 | Very high | 86.5 | Confident | 98 Ų | 98 | 80.1 Ų | 80.1 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 177 | -67.9 | 164.9 | 0 | 0 | 0 | 110.5 | L125 V126 F127 L131 I132 I133 | L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.38Å; L125-I129 PolarHBondContact O-N 3.47Å; V126-I129 PolarHBondContact O-N 3.39Å; F127-I129 PolarHBondContact O-N 3.27Å; I129-L131 VanDerWaalsContact C-N 3.32Å; I129-L131 PolarHBondContact O-N 3.28Å; I129-I132 PolarHBondContact O-N 2.77Å; I129-I133 HydrophobicContact CG2-CD1 3.83Å; I129-I133 HydrophobicContact CG2-CG1 4.48Å; I129-I133 WeakPolarHBondContact O-CG1 3.35Å; I129-I133 PolarHBondContact O-N 3.25Å |
| 130 | L | 87.7 | Confident | 85.9 | Confident | 103 Ų | 103 | 82.9 Ų | 82.9 | 54% | 0.539 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 177.8 | -69.6 | 175.8 | 0 | 0 | 0 | 111.9 | V126 F127 L128 I133 F134 | V126-L130 HydrophobicContact CG1-CD1 4.13Å; V126-L130 HydrophobicContact CG1-CG 4.48Å; V126-L130 WeakPolarHBondContact O-CG 3.33Å; V126-L130 PolarHBondContact O-N 2.86Å; F127-L130 PolarHBondContact O-N 3Å; L128-L130 PolarHBondContact O-N 3.18Å; L130-I133 PolarHBondContact O-N 2.9Å; L130-F134 VanDerWaalsContact O-CB 3.25Å; L130-F134 WeakPolarHBondContact O-CB 3.25Å; L130-F134 PolarHBondContact O-N 3.33Å |
| 131 | L | 85.6 | Confident | 85.2 | Confident | 63 Ų | 63 | 86 Ų | 86 | 33% | 0.33 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 174.9 | -72.9 | -177.2 | 0 | 0 | 0 | 112 | F127 L128 I129 F134 I135 | F127-L131 HydrophobicContact CD1-CD1 3.84Å; F127-L131 HydrophobicContact CD1-CG 4.24Å; F127-L131 HydrophobicContact CE1-CD1 3.43Å; F127-L131 VanDerWaalsContact CE1-CD1 3.43Å; F127-L131 HydrophobicContact CE1-CD2 4.39Å; F127-L131 HydrophobicContact CE1-CG 3.96Å; F127-L131 HydrophobicContact CZ-CD1 4.02Å; F127-L131 HydrophobicContact CZ-CD2 4.14Å; F127-L131 HydrophobicContact CZ-CG 4.16Å; F127-L131 WeakPolarHBondContact O-CG 3.33Å; F127-L131 PolarHBondContact O-N 3.5Å; L128-L131 PolarHBondContact O-N 3.37Å; I129-L131 VanDerWaalsContact C-N 3.32Å; I129-L131 PolarHBondContact O-N 3.28Å; L131-F134 WeakPolarHBondContact O-CB 3.33Å; L131-F134 PolarHBondContact O-N 2.98Å; L131-I135 WeakPolarHBondContact O-CB 3.22Å; L131-I135 WeakPolarHBondContact O-CD1 3.35Å; L131-I135 VanDerWaalsContact O-CG1 3.22Å; L131-I135 WeakPolarHBondContact O-CG1 3.43Å; L131-I135 PolarHBondContact O-N 3.29Å |
| 132 | I | 84.9 | Confident | 84 | Confident | 92 Ų | 92 | 86.9 Ų | 86.9 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 178.1 | -67.4 | 165.5 | 0 | 0 | 0 | 110.4 | L128 I129 F134 I135 C136 | L128-I132 HydrophobicContact CG-CD1 4.22Å; L128-I132 WeakPolarHBondContact O-CG1 3.41Å; L128-I132 PolarHBondContact O-N 3.45Å; I129-I132 PolarHBondContact O-N 2.77Å; I132-F134 VanDerWaalsContact C-N 3.28Å; I132-F134 PolarHBondContact O-N 3.23Å; I132-I135 PolarHBondContact O-N 3.49Å; I132-C136 WeakPolarHBondContact O-CB 3.47Å; I132-C136 PolarHBondContact O-N 3.29Å; I132-C136 PolarHBondContact O-SG 2.89Å; I132-C136 VanDerWaalsContact O-SG 3.33Å |
| 133 | I | 85.4 | Confident | 82.9 | Confident | 84 Ų | 84 | 89.4 Ų | 89.4 | 43% | 0.431 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 177.1 | -67.2 | 168.4 | 0 | 0 | 0 | 110.1 | I129 L130 C136 I137 | I129-I133 HydrophobicContact CG2-CD1 3.83Å; I129-I133 HydrophobicContact CG2-CG1 4.48Å; I129-I133 WeakPolarHBondContact O-CG1 3.35Å; I129-I133 PolarHBondContact O-N 3.25Å; L130-I133 PolarHBondContact O-N 2.9Å; I133-C136 PolarHBondContact O-N 2.87Å; I133-I137 HydrophobicContact CG2-CD1 3.74Å; I133-I137 HydrophobicContact CG2-CG1 4.42Å; I133-I137 VanDerWaalsContact O-CG1 3.29Å; I133-I137 WeakPolarHBondContact O-CG1 3.33Å; I133-I137 PolarHBondContact O-N 3.39Å |
| 134 | F | 83.9 | Confident | 82 | Confident | 54 Ų | 54 | 90.2 Ų | 90.2 | 24% | 0.237 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 178.4 | -177.3 | -104.6 | 0 | 0 | 0 | 112.4 | L7 I11 L130 L131 I132 I137 C138 | L7-F134 HydrophobicContact CB-CE2 4.29Å; L7-F134 HydrophobicContact CB-CZ 4.22Å; L7-F134 HydrophobicContact CD1-CE2 3.78Å; L7-F134 HydrophobicContact CD2-CD2 4.19Å; L7-F134 HydrophobicContact CD2-CE2 3.27Å; L7-F134 HydrophobicContact CD2-CZ 3.68Å; L7-F134 HydrophobicContact CG-CE2 3.93Å; L7-F134 HydrophobicContact CG-CZ 4.32Å; I11-F134 HydrophobicContact CD1-CD1 4.21Å; I11-F134 HydrophobicContact CD1-CE1 3.63Å; I11-F134 HydrophobicContact CD1-CE2 4.24Å; I11-F134 HydrophobicContact CD1-CZ 3.65Å; L130-F134 VanDerWaalsContact O-CB 3.25Å; L130-F134 WeakPolarHBondContact O-CB 3.25Å; L130-F134 PolarHBondContact O-N 3.33Å; L131-F134 WeakPolarHBondContact O-CB 3.33Å; L131-F134 PolarHBondContact O-N 2.98Å; I132-F134 VanDerWaalsContact C-N 3.28Å; I132-F134 PolarHBondContact O-N 3.23Å; F134-I137 PolarHBondContact O-N 3Å; F134-C138 VanDerWaalsContact CE1-SG 3.55Å; F134-C138 WeakPolarHBondContact CZ-SG 3.25Å; F134-C138 WeakPolarHBondContact O-CB 3.49Å; F134-C138 PolarHBondContact O-N 3.43Å; F134-C138 PolarHBondContact O-SG 3.4Å |
| 135 | I | 81.1 | Confident | 80.9 | Confident | 108 Ų | 108 | 90.6 Ų | 90.6 | 55% | 0.554 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.1 | -45 | 176.6 | -68.1 | 163.5 | 0 | 0 | 0 | 110.3 | L131 I132 I137 C138 A139 | L131-I135 WeakPolarHBondContact O-CB 3.22Å; L131-I135 WeakPolarHBondContact O-CD1 3.35Å; L131-I135 VanDerWaalsContact O-CG1 3.22Å; L131-I135 WeakPolarHBondContact O-CG1 3.43Å; L131-I135 PolarHBondContact O-N 3.29Å; I132-I135 PolarHBondContact O-N 3.49Å; I135-I137 PolarHBondContact O-N 3.38Å; I135-C138 PolarHBondContact O-N 2.95Å; I135-A139 VanDerWaalsContact O-CB 3.25Å; I135-A139 WeakPolarHBondContact O-CB 3.5Å; I135-A139 PolarHBondContact O-N 3Å |
| 136 | C | 80.6 | Confident | 79.8 | Confident | 75 Ų | 75 | 93.9 Ų | 93.9 | 51% | 0.507 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 177.5 | -75.2 | 0 | 0 | 0 | 0 | 111.9 | I132 I133 A139 H140 | I132-C136 WeakPolarHBondContact O-CB 3.47Å; I132-C136 PolarHBondContact O-N 3.29Å; I132-C136 PolarHBondContact O-SG 2.89Å; I132-C136 VanDerWaalsContact O-SG 3.33Å; I133-C136 PolarHBondContact O-N 2.87Å; C136-A139 PolarHBondContact O-N 2.88Å; C136-H140 VanDerWaalsContact O-CB 3.26Å; C136-H140 WeakPolarHBondContact O-CB 3.36Å; C136-H140 PolarHBondContact O-N 3.33Å |
| 137 | I | 80.1 | Confident | 78.8 | Confident | 97 Ų | 97 | 99.1 Ų | 99.1 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 175.9 | -67.3 | 167.9 | 0 | 0 | 0 | 110.1 | I133 F134 I135 A139 H140 R141 | I133-I137 HydrophobicContact CG2-CD1 3.74Å; I133-I137 HydrophobicContact CG2-CG1 4.42Å; I133-I137 VanDerWaalsContact O-CG1 3.29Å; I133-I137 WeakPolarHBondContact O-CG1 3.33Å; I133-I137 PolarHBondContact O-N 3.39Å; F134-I137 PolarHBondContact O-N 3Å; I135-I137 PolarHBondContact O-N 3.38Å; I137-A139 PolarHBondContact O-N 2.87Å; I137-H140 PolarHBondContact O-N 3.4Å; I137-R141 HydrophobicContact CG2-CG 4.2Å; I137-R141 WeakPolarHBondContact O-CB 3.29Å; I137-R141 WeakPolarHBondContact O-CG 3.13Å; I137-R141 PolarHBondContact O-N 2.86Å |
| 138 | C | 75.7 | Confident | 77.9 | Confident | 42 Ų | 42 | 100.2 Ų | 100.2 | 28% | 0.284 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 178.6 | -73.1 | 0 | 0 | 0 | 0 | 111.4 | F134 I135 R141 H142 | F134-C138 VanDerWaalsContact CE1-SG 3.55Å; F134-C138 WeakPolarHBondContact CZ-SG 3.25Å; F134-C138 WeakPolarHBondContact O-CB 3.49Å; F134-C138 PolarHBondContact O-N 3.43Å; F134-C138 PolarHBondContact O-SG 3.4Å; I135-C138 PolarHBondContact O-N 2.95Å; C138-R141 PolarHBondContact O-N 3.45Å; C138-H142 VanDerWaalsContact O-CB 3.29Å; C138-H142 WeakPolarHBondContact O-CB 3.38Å; C138-H142 PolarHBondContact O-N 2.81Å |
| 139 | A | 75.9 | Confident | 77 | Confident | 45 Ų | 45 | 103.7 Ų | 103.7 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I135 C136 I137 H142 K143 | I135-A139 VanDerWaalsContact O-CB 3.25Å; I135-A139 WeakPolarHBondContact O-CB 3.5Å; I135-A139 PolarHBondContact O-N 3Å; C136-A139 PolarHBondContact O-N 2.88Å; I137-A139 PolarHBondContact O-N 2.87Å; A139-H142 PolarHBondContact O-N 3.45Å; A139-K143 WeakPolarHBondContact O-CB 3.43Å; A139-K143 WeakPolarHBondContact O-CG 3.4Å; A139-K143 PolarHBondContact O-N 2.89Å |
| 140 | H | 74.6 | Confident | 75.9 | Confident | 114 Ų | 114 | 107.4 Ų | 107.4 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.8 | -173.4 | -106.7 | 0 | 0 | 0 | 111.5 | C136 I137 H142 K143 L144 | C136-H140 VanDerWaalsContact O-CB 3.26Å; C136-H140 WeakPolarHBondContact O-CB 3.36Å; C136-H140 PolarHBondContact O-N 3.33Å; I137-H140 PolarHBondContact O-N 3.4Å; H140-H142 VanDerWaalsContact C-N 3.32Å; H140-H142 PolarHBondContact O-N 3.37Å; H140-K143 PolarHBondContact O-N 3.26Å; H140-L144 WeakPolarHBondContact O-CG 3.48Å; H140-L144 PolarHBondContact O-N 3.33Å |
| 141 | R | 72.9 | Confident | 75.1 | Confident | 142 Ų | 142 | 111.6 Ų | 111.6 | 54% | 0.536 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 175.8 | -63.4 | -69.8 | -81.2 | -176.4 | -8.8 | 111.6 | I137 C138 L144 C145 | I137-R141 HydrophobicContact CG2-CG 4.2Å; I137-R141 WeakPolarHBondContact O-CB 3.29Å; I137-R141 WeakPolarHBondContact O-CG 3.13Å; I137-R141 PolarHBondContact O-N 2.86Å; C138-R141 PolarHBondContact O-N 3.45Å; R141-L144 PolarHBondContact O-N 3.29Å; R141-C145 WeakPolarHBondContact O-CB 3.45Å; R141-C145 PolarHBondContact O-N 3.46Å; R141-C145 PolarHBondContact O-SG 2.88Å; R141-C145 VanDerWaalsContact O-SG 3.39Å |
| 142 | H | 69 | Low | 74.5 | Confident | 100 Ų | 100 | 115.3 Ų | 115.3 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 176 | -146.4 | -100.1 | 0 | 0 | 0 | 111.8 | C138 A139 H140 C145 R146 | C138-H142 VanDerWaalsContact O-CB 3.29Å; C138-H142 WeakPolarHBondContact O-CB 3.38Å; C138-H142 PolarHBondContact O-N 2.81Å; A139-H142 PolarHBondContact O-N 3.45Å; H140-H142 VanDerWaalsContact C-N 3.32Å; H140-H142 PolarHBondContact O-N 3.37Å; H142-C145 PolarHBondContact O-N 2.92Å; H142-R146 WeakPolarHBondContact O-CB 3.23Å; H142-R146 PolarHBondContact O-N 3.46Å |
| 143 | K | 70.9 | Confident | 74.2 | Confident | 151 Ų | 151 | 115 Ų | 115 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -45.2 | 173.6 | -76.9 | -177.1 | -179.9 | -177.6 | 0 | 111.5 | A139 H140 R146 R147 | A139-K143 WeakPolarHBondContact O-CB 3.43Å; A139-K143 WeakPolarHBondContact O-CG 3.4Å; A139-K143 PolarHBondContact O-N 2.89Å; H140-K143 PolarHBondContact O-N 3.26Å; K143-R146 PolarHBondContact O-N 3.4Å; K143-R147 WeakPolarHBondContact O-CG 3.29Å; K143-R147 PolarHBondContact O-N 3.02Å |
| 144 | L | 68.2 | Low | 73.9 | Confident | 77 Ų | 77 | 117.6 Ų | 117.6 | 40% | 0.403 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 176.3 | -70.3 | 173.6 | 0 | 0 | 0 | 112.4 | H140 R141 R147 K148 | H140-L144 WeakPolarHBondContact O-CG 3.48Å; H140-L144 PolarHBondContact O-N 3.33Å; R141-L144 PolarHBondContact O-N 3.29Å; L144-R147 PolarHBondContact O-N 3.02Å; L144-K148 PolarHBondContact O-N 3.49Å |
| 145 | C | 66.3 | Low | 73.7 | Confident | 68 Ų | 68 | 119.4 Ų | 119.4 | 46% | 0.459 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 175.2 | -77.8 | 0 | 0 | 0 | 0 | 112.1 | R141 H142 K148 R149 | R141-C145 WeakPolarHBondContact O-CB 3.45Å; R141-C145 PolarHBondContact O-N 3.46Å; R141-C145 PolarHBondContact O-SG 2.88Å; R141-C145 VanDerWaalsContact O-SG 3.39Å; H142-C145 PolarHBondContact O-N 2.92Å; C145-K148 PolarHBondContact O-N 3.47Å; C145-R149 WeakPolarHBondContact O-CB 3.41Å; C145-R149 PolarHBondContact O-N 3.31Å |
| 146 | R | 71.3 | Confident | 73.9 | Confident | 166 Ų | 166 | 121.2 Ų | 121.2 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.7 | -43 | 175 | -82.1 | -164.6 | 172.4 | -157.9 | -0.5 | 112.1 | H142 K143 R149 R150 | H142-R146 WeakPolarHBondContact O-CB 3.23Å; H142-R146 PolarHBondContact O-N 3.46Å; K143-R146 PolarHBondContact O-N 3.4Å; R146-R149 PolarHBondContact O-N 3.42Å; R146-R150 PolarHBondContact O-N 2.87Å |
| 147 | R | 71.9 | Confident | 73.9 | Confident | 186 Ų | 186 | 121 Ų | 121 | 70% | 0.702 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | 175.1 | -76.1 | -177.3 | 177 | -175.6 | -0.7 | 111.9 | K143 L144 R149 R150 R151 | K143-R147 WeakPolarHBondContact O-CG 3.29Å; K143-R147 PolarHBondContact O-N 3.02Å; L144-R147 PolarHBondContact O-N 3.02Å; R147-R149 VanDerWaalsContact C-N 3.34Å; R147-R149 PolarHBondContact O-N 3.45Å; R147-R150 PolarHBondContact O-N 2.9Å; R147-R151 PolarHBondContact O-N 3.25Å |
| 148 | K | 69.1 | Low | 74.1 | Confident | 144 Ų | 144 | 118.3 Ų | 118.3 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.6 | -34.9 | 177.9 | -164.5 | 171.1 | -174.7 | 173.5 | 0 | 112.3 | L144 C145 K152 | L144-K148 PolarHBondContact O-N 3.49Å; C145-K148 PolarHBondContact O-N 3.47Å; K148-K152 WeakPolarHBondContact O-CG 3.48Å; K148-K152 PolarHBondContact O-N 2.92Å |
| 149 | R | 69.1 | Low | 74.5 | Confident | 169 Ų | 169 | 119.7 Ų | 119.7 | 64% | 0.638 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.1 | -46.3 | 174.8 | -171.2 | 176.9 | 173.7 | 176.5 | 1.2 | 111.6 | C145 R146 R147 R151 K152 E153 | C145-R149 WeakPolarHBondContact O-CB 3.41Å; C145-R149 PolarHBondContact O-N 3.31Å; R146-R149 PolarHBondContact O-N 3.42Å; R147-R149 VanDerWaalsContact C-N 3.34Å; R147-R149 PolarHBondContact O-N 3.45Å; R149-R151 PolarHBondContact O-N 3.39Å; R149-K152 PolarHBondContact O-N 3.44Å; R149-K152 VanDerWaalsContact O-N 3.16Å; R149-E153 IonicContact NE-OE2 3.8Å; R149-E153 WeakPolarHBondContact O-CB 3.41Å; R149-E153 PolarHBondContact O-N 3.19Å |
| 150 | R | 69.8 | Low | 75 | Confident | 176 Ų | 176 | 122 Ų | 122 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -56.7 | -47.9 | 176.4 | -75.5 | -172.6 | -173.8 | -110.9 | 3.5 | 112.4 | R146 R147 K152 E153 E154 | R146-R150 PolarHBondContact O-N 2.87Å; R147-R150 PolarHBondContact O-N 2.9Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 3.5Å; R150-E153 PolarHBondContact O-N 2.98Å; R150-E154 PolarHBondContact O-N 3.16Å |
| 151 | R | 71.7 | Confident | 75.5 | Confident | 191 Ų | 191 | 123.8 Ų | 123.8 | 72% | 0.721 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.2 | -41.8 | 176.6 | -75.2 | -166.1 | -175.9 | -143 | 1.9 | 112.8 | R147 R149 E153 T155 | R147-R151 PolarHBondContact O-N 3.25Å; R149-R151 PolarHBondContact O-N 3.39Å; R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3.2Å; R151-T155 PolarHBondContact O-N 3.37Å; R151-T155 PolarHBondContact O-OG1 3.25Å |
| 152 | K | 73 | Confident | 76.3 | Confident | 140 Ų | 140 | 121.4 Ų | 121.4 | 61% | 0.609 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.1 | -36.2 | 177.9 | -76.3 | -173.1 | 172.6 | -158.3 | 0 | 112.8 | K148 R149 R150 R156 | K148-K152 WeakPolarHBondContact O-CG 3.48Å; K148-K152 PolarHBondContact O-N 2.92Å; R149-K152 PolarHBondContact O-N 3.44Å; R149-K152 VanDerWaalsContact O-N 3.16Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 3.5Å; K152-R156 WeakPolarHBondContact O-CB 3.26Å; K152-R156 PolarHBondContact O-N 2.96Å |
| 153 | E | 78.6 | Confident | 77.1 | Confident | 87 Ų | 87 | 120.8 Ų | 120.8 | 41% | 0.407 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.8 | -39.2 | -179.9 | -155.2 | 143.1 | -166.4 | 0 | 0 | 111 | R149 R150 R151 R156 N157 | R149-E153 IonicContact NE-OE2 3.8Å; R149-E153 WeakPolarHBondContact O-CB 3.41Å; R149-E153 PolarHBondContact O-N 3.19Å; R150-E153 PolarHBondContact O-N 2.98Å; R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3.2Å; E153-R156 PolarHBondContact O-N 3.43Å; E153-N157 VanDerWaalsContact O-CB 3.3Å; E153-N157 WeakPolarHBondContact O-CB 3.34Å; E153-N157 PolarHBondContact O-N 3.01Å; E153-N157 PolarHBondContact O-OD1 3.48Å |
| 154 | E | 78.3 | Confident | 77.7 | Confident | 137 Ų | 137 | 120.2 Ų | 120.2 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.4 | -45.5 | 170.1 | -75.9 | 167.9 | -174.7 | 0 | 0 | 112.3 | R150 G158 | R150-E154 PolarHBondContact O-N 3.16Å; E154-G158 PolarHBondContact O-N 3.31Å |
| 155 | T | 80.8 | Confident | 78.6 | Confident | 93 Ų | 93 | 121.9 Ų | 121.9 | 57% | 0.571 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.3 | -44.5 | 175.8 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | R151 G158 T159 | R151-T155 PolarHBondContact O-N 3.37Å; R151-T155 PolarHBondContact O-OG1 3.25Å; T155-G158 PolarHBondContact O-N 2.97Å; T155-T159 PolarHBondContact O-N 3.35Å; T155-T159 PolarHBondContact O-OG1 2.96Å |
| 156 | R | 83.5 | Confident | 79.1 | Confident | 146 Ų | 146 | 124 Ų | 124 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.4 | -47.9 | 178.7 | -168.6 | -177.9 | 79 | 148.4 | 6.4 | 111.8 | K152 E153 G158 T159 E160 | K152-R156 WeakPolarHBondContact O-CB 3.26Å; K152-R156 PolarHBondContact O-N 2.96Å; E153-R156 PolarHBondContact O-N 3.43Å; R156-G158 VanDerWaalsContact C-N 3.27Å; R156-G158 PolarHBondContact O-N 3.18Å; R156-T159 PolarHBondContact O-N 3.41Å; R156-E160 IonicContact CZ-OE1 3.75Å; R156-E160 IonicContact NE-OE1 3.57Å; R156-E160 WeakPolarHBondContact O-CB 3.49Å; R156-E160 WeakPolarHBondContact O-CG 3.4Å; R156-E160 PolarHBondContact O-N 2.98Å |
| 157 | N | 81.4 | Confident | 79.3 | Confident | 71 Ų | 71 | 123.1 Ų | 123.1 | 38% | 0.38 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -34 | 178.1 | -67.2 | 2.5 | 0 | 0 | 0 | 111.3 | E153 K161 | E153-N157 VanDerWaalsContact O-CB 3.3Å; E153-N157 WeakPolarHBondContact O-CB 3.34Å; E153-N157 PolarHBondContact O-N 3.01Å; E153-N157 PolarHBondContact O-OD1 3.48Å; N157-K161 WeakPolarHBondContact O-CB 3.45Å; N157-K161 VanDerWaalsContact O-CG 3.26Å; N157-K161 WeakPolarHBondContact O-CG 3.3Å; N157-K161 PolarHBondContact O-N 3.4Å |
| 158 | G | 84.1 | Confident | 79.2 | Confident | 39 Ų | 39 | 120.3 Ų | 120.3 | 40% | 0.402 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.7 | -44.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | E154 T155 R156 K161 L162 | E154-G158 PolarHBondContact O-N 3.31Å; T155-G158 PolarHBondContact O-N 2.97Å; R156-G158 VanDerWaalsContact C-N 3.27Å; R156-G158 PolarHBondContact O-N 3.18Å; G158-K161 PolarHBondContact O-N 3.36Å; G158-L162 WeakPolarHBondContact O-CB 3.44Å; G158-L162 PolarHBondContact O-N 3.26Å |
| 159 | T | 85.3 | Confident | 79.4 | Confident | 72 Ų | 72 | 116.7 Ų | 116.7 | 44% | 0.442 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.5 | -41.9 | 175.4 | -49.8 | 0 | 0 | 0 | 0 | 111.8 | T155 R156 K161 L162 N163 | T155-T159 PolarHBondContact O-N 3.35Å; T155-T159 PolarHBondContact O-OG1 2.96Å; R156-T159 PolarHBondContact O-N 3.41Å; T159-K161 PolarHBondContact O-N 3.48Å; T159-L162 PolarHBondContact O-N 3.46Å; T159-N163 WeakPolarHBondContact O-CB 3.26Å; T159-N163 PolarHBondContact O-N 3.21Å; T159-N163 PolarHBondContact O-OD1 3.35Å |
| 160 | E | 86 | Confident | 78.9 | Confident | 92 Ų | 92 | 114.5 Ų | 114.5 | 43% | 0.43 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.4 | -43 | 175.1 | -75.9 | 173.5 | -177.2 | 0 | 0 | 111.7 | R156 N163 M164 | R156-E160 IonicContact CZ-OE1 3.75Å; R156-E160 IonicContact NE-OE1 3.57Å; R156-E160 WeakPolarHBondContact O-CB 3.49Å; R156-E160 WeakPolarHBondContact O-CG 3.4Å; R156-E160 PolarHBondContact O-N 2.98Å; E160-N163 PolarHBondContact O-N 3.5Å; E160-M164 VanDerWaalsContact O-CG 3.23Å; E160-M164 WeakPolarHBondContact O-CG 3.32Å; E160-M164 PolarHBondContact O-N 3.47Å |
| 161 | K | 85.3 | Confident | 78.1 | Confident | 153 Ų | 153 | 108.3 Ų | 108.3 | 67% | 0.665 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 174 | -77.6 | -177.8 | 176.4 | -166.2 | 0 | 112.5 | N157 G158 T159 M164 I165 | N157-K161 WeakPolarHBondContact O-CB 3.45Å; N157-K161 VanDerWaalsContact O-CG 3.26Å; N157-K161 WeakPolarHBondContact O-CG 3.3Å; N157-K161 PolarHBondContact O-N 3.4Å; G158-K161 PolarHBondContact O-N 3.36Å; T159-K161 PolarHBondContact O-N 3.48Å; K161-M164 PolarHBondContact O-N 3.3Å; K161-I165 VanDerWaalsContact O-CG1 3.32Å; K161-I165 WeakPolarHBondContact O-CG1 3.42Å; K161-I165 PolarHBondContact O-N 2.95Å; K161-I165 VanDerWaalsContact O-N 3.13Å |
| 162 | L | 89.1 | Confident | 77 | Confident | 92 Ų | 92 | 104.1 Ų | 104.1 | 48% | 0.482 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 179.2 | -170.2 | 134.5 | 0 | 0 | 0 | 111.7 | G158 T159 I165 M166 | G158-L162 WeakPolarHBondContact O-CB 3.44Å; G158-L162 PolarHBondContact O-N 3.26Å; T159-L162 PolarHBondContact O-N 3.46Å; L162-I165 PolarHBondContact O-N 3.01Å; L162-M166 HydrophobicContact CD2-CE 3.56Å; L162-M166 HydrophobicContact CD2-SD 3.75Å; L162-M166 HydrophobicContact CG-CE 4.36Å; L162-M166 WeakPolarHBondContact O-CG 3.47Å; L162-M166 PolarHBondContact O-N 3.23Å |
| 163 | N | 85.4 | Confident | 75.8 | Confident | 86 Ų | 86 | 104.7 Ų | 104.7 | 46% | 0.46 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 175.2 | -69.1 | -1.3 | 0 | 0 | 0 | 112.1 | T159 E160 I165 M166 M167 | T159-N163 WeakPolarHBondContact O-CB 3.26Å; T159-N163 PolarHBondContact O-N 3.21Å; T159-N163 PolarHBondContact O-OD1 3.35Å; E160-N163 PolarHBondContact O-N 3.5Å; N163-I165 VanDerWaalsContact C-N 3.33Å; N163-I165 PolarHBondContact O-N 3.38Å; N163-M166 PolarHBondContact O-N 3.13Å; N163-M167 PolarHBondContact O-N 3.36Å; N163-M167 VanDerWaalsContact O-N 3.13Å |
| 164 | M | 83.9 | Confident | 74 | Confident | 139 Ų | 139 | 109 Ų | 109 | 69% | 0.685 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.6 | -37.8 | 175 | -72.7 | -100.1 | -86.4 | 0 | 0 | 112.2 | E160 K161 N168 | E160-M164 VanDerWaalsContact O-CG 3.23Å; E160-M164 WeakPolarHBondContact O-CG 3.32Å; E160-M164 PolarHBondContact O-N 3.47Å; K161-M164 PolarHBondContact O-N 3.3Å; M164-N168 PolarHBondContact O-N 3.04Å |
| 165 | I | 87.4 | Confident | 72.2 | Confident | 113 Ų | 113 | 106.5 Ų | 106.5 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.3 | -45.3 | 176.1 | -65.7 | 163.2 | 0 | 0 | 0 | 110.5 | K161 L162 N163 M167 N168 T169 | K161-I165 VanDerWaalsContact O-CG1 3.32Å; K161-I165 WeakPolarHBondContact O-CG1 3.42Å; K161-I165 PolarHBondContact O-N 2.95Å; K161-I165 VanDerWaalsContact O-N 3.13Å; L162-I165 PolarHBondContact O-N 3.01Å; N163-I165 VanDerWaalsContact C-N 3.33Å; N163-I165 PolarHBondContact O-N 3.38Å; I165-M167 VanDerWaalsContact C-N 3.34Å; I165-M167 PolarHBondContact O-N 3.03Å; I165-N168 PolarHBondContact O-N 3.27Å; I165-T169 PolarHBondContact O-N 2.91Å; I165-T169 PolarHBondContact O-OG1 3.04Å |
| 166 | M | 77.2 | Confident | 70 | Confident | 111 Ų | 111 | 106.8 Ų | 106.8 | 55% | 0.547 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63 | -35 | -179.3 | -73.3 | 179.7 | 168.1 | 0 | 0 | 113.4 | L162 N163 N170 | L162-M166 HydrophobicContact CD2-CE 3.56Å; L162-M166 HydrophobicContact CD2-SD 3.75Å; L162-M166 HydrophobicContact CG-CE 4.36Å; L162-M166 WeakPolarHBondContact O-CG 3.47Å; L162-M166 PolarHBondContact O-N 3.23Å; N163-M166 PolarHBondContact O-N 3.13Å; M166-N170 PolarHBondContact O-N 2.98Å |
| 167 | M | 73.5 | Confident | 67.9 | Low | 149 Ų | 149 | 105.1 Ų | 105.1 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.4 | -38.1 | 175.2 | -80.7 | 172.5 | 139 | 0 | 0 | 112.8 | N163 I165 G171 | N163-M167 PolarHBondContact O-N 3.36Å; N163-M167 VanDerWaalsContact O-N 3.13Å; I165-M167 VanDerWaalsContact C-N 3.34Å; I165-M167 PolarHBondContact O-N 3.03Å; M167-G171 PolarHBondContact O-N 3.27Å |
| 168 | N | 69.8 | Low | 65.7 | Low | 126 Ų | 126 | 109.3 Ų | 109.3 | 67% | 0.674 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71 | -31.3 | 176.5 | -79.5 | 10.9 | 0 | 0 | 0 | 112.7 | M164 I165 G171 T172 | M164-N168 PolarHBondContact O-N 3.04Å; I165-N168 PolarHBondContact O-N 3.27Å; N168-G171 PolarHBondContact O-N 2.91Å; N168-T172 PolarHBondContact O-N 2.92Å; N168-T172 PolarHBondContact O-OG1 3.13Å |
| 169 | T | 73.8 | Confident | 63.2 | Low | 69 Ų | 69 | 112.5 Ų | 112.5 | 42% | 0.423 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71.8 | -35 | 176 | -53.7 | 0 | 0 | 0 | 0 | 112.3 | I165 G171 T172 H173 | I165-T169 PolarHBondContact O-N 2.91Å; I165-T169 PolarHBondContact O-OG1 3.04Å; T169-G171 VanDerWaalsContact C-N 3.33Å; T169-T172 PolarHBondContact O-N 3Å; T169-T172 PolarHBondContact O-OG1 3.27Å; T169-H173 PolarHBondContact O-CD2 3.18Å |
| 170 | N | 58.8 | Low | 60.8 | Low | 122 Ų | 122 | 115.7 Ų | 115.7 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.1 | -30.8 | 173.9 | -74.4 | 2.8 | 0 | 0 | 0 | 112.3 | M166 T172 H173 | M166-N170 PolarHBondContact O-N 2.98Å; N170-T172 VanDerWaalsContact C-N 3.34Å; N170-T172 PolarHBondContact O-N 3.43Å; N170-H173 PolarHBondContact O-N 2.9Å |
| 171 | G | 53.1 | Low | 58.2 | Low | 46 Ų | 46 | 120.1 Ų | 120.1 | 47% | 0.474 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -72.5 | -20.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M167 N168 T169 | M167-G171 PolarHBondContact O-N 3.27Å; N168-G171 PolarHBondContact O-N 2.91Å; T169-G171 VanDerWaalsContact C-N 3.33Å |
| 172 | T | 48.3 | Very low | 55.8 | Low | 103 Ų | 103 | 119 Ų | 119 | 63% | 0.632 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -3.9 | 175.4 | 29.1 | 0 | 0 | 0 | 0 | 114.3 | N168 T169 N170 | N168-T172 PolarHBondContact O-N 2.92Å; N168-T172 PolarHBondContact O-OG1 3.13Å; T169-T172 PolarHBondContact O-N 3Å; T169-T172 PolarHBondContact O-OG1 3.27Å; N170-T172 VanDerWaalsContact C-N 3.34Å; N170-T172 PolarHBondContact O-N 3.43Å |
| 173 | H | 48.6 | Very low | 53.4 | Low | 152 Ų | 152 | 119.5 Ų | 119.5 | 70% | 0.704 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -98 | -4.5 | 168 | -77.2 | -77.9 | 0 | 0 | 0 | 113.9 | T169 N170 | T169-H173 PolarHBondContact O-CD2 3.18Å; N170-H173 PolarHBondContact O-N 2.9Å |
| 174 | E | 41.3 | Very low | 51.1 | Low | 179 Ų | 179 | 122 Ų | 122 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -101.4 | 23.2 | 169.9 | -87.1 | -173.6 | 158.6 | 0 | 0 | 113 | ||
| 175 | A | 39 | Very low | 49.3 | Very low | 84 Ų | 84 | 121.6 Ų | 121.6 | 69% | 0.694 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -135.5 | 48.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 176 | S | 36.1 | Very low | 47 | Very low | 98 Ų | 98 | 123.3 Ų | 123.3 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | trans | -163.7 | 79.8 | 154.6 | -166.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 177 | S | 39.1 | Very low | 45.2 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | -128.6 | 73 | 158.2 | -65.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 178 | D | 34.5 | Very low | 43.5 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | trans | -166.5 | 94.9 | 153.9 | -97.1 | -21.3 | 0 | 0 | 0 | 108.6 | ||||
| 179 | S | 32.3 | Very low | 42.2 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | -172.2 | 93.4 | 141 | 57.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 180 | V | 33.3 | Very low | 40.5 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | 42.3 | 94.3 | 129 | -173.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 181 | E | 33.4 | Very low | 39.5 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -82.3 | 105.7 | 150.9 | -168.9 | 177.5 | -146.9 | 0 | 0 | 107.6 | ||||
| 182 | T | 32.9 | Very low | 38.7 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 166.4 | 118.3 | 130.6 | 28.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 183 | S | 39.3 | Very low | 38.1 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -144.2 | 133.7 | 160.7 | 63.8 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 184 | N | 36.4 | Very low | 37.4 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | cis | -161.7 | 141.9 | 12.5 | -97 | -36.6 | 0 | 0 | 0 | 108.8 | ||||
| 185 | I | 46.9 | Very low | 37.1 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 67% | 0.672 | 79% | 0.793 | S | S | * | * | trans | 33.5 | 126.6 | 131.5 | -31 | 176.7 | 0 | 0 | 0 | 120.6 | ||||
| 186 | N | 38.9 | Very low | 37 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | 148.2 | 145.8 | 121 | -76 | -42 | 0 | 0 | 0 | 108.9 | |||||
| 187 | A | 40.2 | Very low | 37 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 65% | 0.653 | 81% | 0.81 | S | S | * | * | cis | 176.5 | 153.8 | -13.1 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 188 | I | 37.1 | Very low | 36.8 | Very low | 247 Ų | 247 | 142.4 Ų | 142.4 | 100% | 1.267 | 81% | 0.813 | S | S | * | * | trans | 82.8 | 0 | 171.1 | -48 | 169.8 | 0 | 0 | 0 | 115.9 |
Retrieved 188 of 188 residues in 324.1 ms
(Link to these results)