| 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 | 73.3 | Confident | 80.9 | Confident | 120 Ų | 120 | 128.4 Ų | 128.4 | 59% | 0.591 | 64% | 0.635 | S | S | * | * | 0 | -69.3 | 0 | -72.6 | -62.9 | -109.1 | 0 | 0 | 111.4 | Y5 L10 | M1-Y5 WeakPolarHBondContact O-CA 3.15Å; M1-Y5 VanDerWaalsContact O-CB 3.27Å; M1-Y5 WeakPolarHBondContact O-CB 3.33Å; M1-Y5 PolarHBondContact O-N 3.18Å; M1-Y5 VanDerWaalsContact O-N 3.13Å; M1-Y5 HydrophobicContact SD-CD2 3.86Å; M1-Y5 HydrophobicContact SD-CE2 4.09Å; M1-Y5 HydrophobicContact SD-CG 4.44Å; M1-L10 HydrophobicContact CB-CD2 3.77Å; M1-L10 HydrophobicContact CE-CD1 4.49Å; M1-L10 HydrophobicContact CG-CD2 4.36Å | |||
| 2 | L | 74.3 | Confident | 81 | Confident | 96 Ų | 96 | 129 Ų | 129 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65 | -46.6 | 178.6 | -68.2 | 172.5 | 0 | 0 | 0 | 112.1 | C6 V7 L10 | L2-C6 WeakPolarHBondContact O-CA 3.46Å; L2-C6 PolarHBondContact O-N 2.96Å; L2-V7 WeakPolarHBondContact CD2-O 2.84Å; L2-L10 HydrophobicContact CD2-CB 3.79Å; L2-L10 HydrophobicContact CG-CB 4.22Å |
| 3 | E | 76.9 | Confident | 80.6 | Confident | 183 Ų | 183 | 123.8 Ų | 123.8 | 86% | 0.855 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.7 | -54.5 | -177.8 | -64.6 | 173.8 | 176.1 | 0 | 0 | 112.8 | ||
| 4 | E | 85.9 | Confident | 80.3 | Confident | 160 Ų | 160 | 118.5 Ų | 118.5 | 75% | 0.748 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.8 | -33.4 | -176.5 | -68 | 176.4 | 156 | 0 | 0 | 114.5 | ||
| 5 | Y | 86.4 | Confident | 79.9 | Confident | 159 Ų | 159 | 117.1 Ų | 117.1 | 62% | 0.624 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -107.5 | 4.9 | -174.3 | -63.2 | -94.8 | 0 | 0 | 0 | 112.8 | M1 V7 | M1-Y5 WeakPolarHBondContact O-CA 3.15Å; M1-Y5 VanDerWaalsContact O-CB 3.27Å; M1-Y5 WeakPolarHBondContact O-CB 3.33Å; M1-Y5 PolarHBondContact O-N 3.18Å; M1-Y5 VanDerWaalsContact O-N 3.13Å; M1-Y5 HydrophobicContact SD-CD2 3.86Å; M1-Y5 HydrophobicContact SD-CE2 4.09Å; M1-Y5 HydrophobicContact SD-CG 4.44Å; Y5-V7 PolarHBondContact O-N 2.99Å |
| 6 | C | 82.3 | Confident | 79.3 | Confident | 110 Ų | 110 | 110.2 Ų | 110.2 | 74% | 0.743 | 56% | 0.557 | S | S | * | * | trans | 47.1 | 37.3 | 178 | -61.4 | 0 | 0 | 0 | 0 | 114.1 | L2 | L2-C6 WeakPolarHBondContact O-CA 3.46Å; L2-C6 PolarHBondContact O-N 2.96Å | ||
| 7 | V | 84.4 | Confident | 78.8 | Confident | 56 Ų | 56 | 108.1 Ų | 108.1 | 34% | 0.339 | 55% | 0.551 | S | S | . | * | trans | -78.6 | 129.9 | -178.3 | -171.4 | 0 | 0 | 0 | 0 | 109 | L2 Y5 Y9 | L2-V7 WeakPolarHBondContact CD2-O 2.84Å; Y5-V7 PolarHBondContact O-N 2.99Å; V7-Y9 VanDerWaalsContact C-N 3.35Å; V7-Y9 WeakPolarHBondContact CG1-O 2.88Å; V7-Y9 PolarHBondContact O-N 3.41Å | ||
| 8 | P | 78.8 | Confident | 78.5 | Confident | 106 Ų | 106 | 106.6 Ų | 106.6 | 69% | 0.688 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -66.6 | -34.1 | -173.3 | 24.5 | -34.3 | 0 | 0 | 0 | 113.2 | ||
| 9 | Y | 83.5 | Confident | 78.1 | Confident | 210 Ų | 210 | 102.7 Ų | 102.7 | 82% | 0.824 | 53% | 0.527 | S | S | * | . | trans | -145.5 | 141 | 175.8 | -56.4 | -78.4 | 0 | 0 | 0 | 110.5 | V7 | V7-Y9 VanDerWaalsContact C-N 3.35Å; V7-Y9 WeakPolarHBondContact CG1-O 2.88Å; V7-Y9 PolarHBondContact O-N 3.41Å | ||
| 10 | L | 82.9 | Confident | 77.5 | Confident | 83 Ų | 83 | 101.1 Ų | 101.1 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | trans | -129 | 125 | 176.2 | 178.3 | 69.5 | 0 | 0 | 0 | 109.5 | M1 L2 | M1-L10 HydrophobicContact CB-CD2 3.77Å; M1-L10 HydrophobicContact CE-CD1 4.49Å; M1-L10 HydrophobicContact CG-CD2 4.36Å; L2-L10 HydrophobicContact CD2-CB 3.79Å; L2-L10 HydrophobicContact CG-CB 4.22Å | ||
| 11 | M | 80.8 | Confident | 77.2 | Confident | 129 Ų | 129 | 102 Ų | 102 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | trans | -115.6 | 123.8 | 173.4 | -174.3 | 179.2 | 49 | 0 | 0 | 110.1 | I13 | M11-I13 HydrophobicContact CE-CD1 3.31Å; M11-I13 HydrophobicContact CE-CG1 3.96Å; M11-I13 HydrophobicContact CG-CD1 4.34Å; M11-I13 HydrophobicContact CG-CG1 3.9Å; M11-I13 HydrophobicContact SD-CD1 3.87Å; M11-I13 HydrophobicContact SD-CG1 3.96Å | ||
| 12 | I | 82.2 | Confident | 76.9 | Confident | 136 Ų | 136 | 103.5 Ų | 103.5 | 70% | 0.697 | 53% | 0.526 | S | S | * | . | trans | -99 | 116.4 | 174.7 | -58.7 | 175.7 | 0 | 0 | 0 | 108.1 | ||||
| 13 | I | 75.8 | Confident | 76.2 | Confident | 62 Ų | 62 | 107.4 Ų | 107.4 | 32% | 0.318 | 53% | 0.534 | S | S | . | . | trans | -113.6 | 139 | 176.7 | -53.8 | 169.2 | 0 | 0 | 0 | 109.8 | M11 T15 V17 L18 | M11-I13 HydrophobicContact CE-CD1 3.31Å; M11-I13 HydrophobicContact CE-CG1 3.96Å; M11-I13 HydrophobicContact CG-CD1 4.34Å; M11-I13 HydrophobicContact CG-CG1 3.9Å; M11-I13 HydrophobicContact SD-CD1 3.87Å; M11-I13 HydrophobicContact SD-CG1 3.96Å; I13-T15 PolarHBondContact O-N 3.4Å; I13-V17 HydrophobicContact CG2-CB 3.95Å; I13-V17 HydrophobicContact CG2-CG1 4.13Å; I13-L18 HydrophobicContact CB-CD1 4.08Å; I13-L18 HydrophobicContact CB-CD2 4.25Å; I13-L18 HydrophobicContact CB-CG 3.93Å; I13-L18 HydrophobicContact CD1-CD2 3.76Å; I13-L18 HydrophobicContact CD1-CG 4.39Å; I13-L18 HydrophobicContact CG2-CD1 4.33Å; I13-L18 HydrophobicContact CG2-CD2 4.12Å; I13-L18 HydrophobicContact CG2-CG 3.69Å | ||
| 14 | N | 76.1 | Confident | 75.1 | Confident | 49 Ų | 49 | 107.2 Ų | 107.2 | 26% | 0.262 | 53% | 0.531 | S | S | . | . | trans | -61.8 | 124.9 | 169.9 | -174 | -13.9 | 0 | 0 | 0 | 110 | A16 V17 L18 Y40 | N14-A16 PolarHBondContact O-N 3.22Å; N14-A16 PolarHBondContact OD1-N 2.68Å; N14-A16 VanDerWaalsContact OD1-N 3.11Å; N14-V17 HydrophobicContact CB-CG2 4.15Å; N14-V17 WeakPolarHBondContact O-CB 3.5Å; N14-V17 PolarHBondContact O-N 3.4Å; N14-L18 PolarHBondContact O-N 3.37Å; N14-Y40 PolarHBondContact ND2-OH 3.42Å; N14-Y40 VanDerWaalsContact ND2-OH 3.09Å; N14-Y40 PolarHBondContact OD1-OH 2.99Å | ||
| 15 | T | 74.7 | Confident | 73.4 | Confident | 97 Ų | 97 | 104.4 Ų | 104.4 | 60% | 0.595 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -47.8 | -28.8 | 175.9 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | I13 S19 | I13-T15 PolarHBondContact O-N 3.4Å; T15-S19 WeakPolarHBondContact O-CB 3.46Å; T15-S19 PolarHBondContact O-N 3.5Å; T15-S19 PolarHBondContact O-OG 3.17Å |
| 16 | A | 70.3 | Confident | 71.5 | Confident | 7 Ų | 7 | 100.1 Ų | 100.1 | 6% | 0.058 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N14 S19 W20 L29 Y40 | N14-A16 PolarHBondContact O-N 3.22Å; N14-A16 PolarHBondContact OD1-N 2.68Å; N14-A16 VanDerWaalsContact OD1-N 3.11Å; A16-S19 WeakPolarHBondContact CA-OG 3.41Å; A16-S19 PolarHBondContact O-N 3.11Å; A16-S19 PolarHBondContact O-OG 2.89Å; A16-S19 VanDerWaalsContact O-OG 3.14Å; A16-W20 WeakPolarHBondContact O-CB 3.44Å; A16-W20 PolarHBondContact O-N 3.29Å; A16-L29 VanDerWaalsContact CA-CD2 3.48Å; A16-L29 HydrophobicContact CB-CD2 3.71Å; A16-Y40 HydrophobicContact CB-CD1 3.83Å; A16-Y40 HydrophobicContact CB-CD2 3.47Å; A16-Y40 VanDerWaalsContact CB-CD2 3.47Å; A16-Y40 HydrophobicContact CB-CE1 3.68Å; A16-Y40 HydrophobicContact CB-CE2 3.32Å; A16-Y40 HydrophobicContact CB-CG 3.73Å; A16-Y40 VanDerWaalsContact CB-CZ 3.43Å |
| 17 | V | 71.3 | Confident | 70.2 | Confident | 74 Ų | 74 | 99.8 Ų | 99.8 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 177 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | I13 N14 S19 W20 Q21 | I13-V17 HydrophobicContact CG2-CB 3.95Å; I13-V17 HydrophobicContact CG2-CG1 4.13Å; N14-V17 HydrophobicContact CB-CG2 4.15Å; N14-V17 WeakPolarHBondContact O-CB 3.5Å; N14-V17 PolarHBondContact O-N 3.4Å; V17-S19 PolarHBondContact O-N 3.03Å; V17-W20 PolarHBondContact O-N 2.89Å; V17-Q21 PolarHBondContact O-N 3.34Å |
| 18 | L | 73.7 | Confident | 68.8 | Low | 81 Ų | 81 | 101.7 Ų | 101.7 | 42% | 0.424 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 174.7 | -74.7 | 171.5 | 0 | 0 | 0 | 112.3 | I13 N14 Q21 L22 | I13-L18 HydrophobicContact CB-CD1 4.08Å; I13-L18 HydrophobicContact CB-CD2 4.25Å; I13-L18 HydrophobicContact CB-CG 3.93Å; I13-L18 HydrophobicContact CD1-CD2 3.76Å; I13-L18 HydrophobicContact CD1-CG 4.39Å; I13-L18 HydrophobicContact CG2-CD1 4.33Å; I13-L18 HydrophobicContact CG2-CD2 4.12Å; I13-L18 HydrophobicContact CG2-CG 3.69Å; N14-L18 PolarHBondContact O-N 3.37Å; L18-Q21 PolarHBondContact O-N 3.34Å; L18-L22 WeakPolarHBondContact O-CG 3.16Å; L18-L22 PolarHBondContact O-N 3.07Å; L18-L22 VanDerWaalsContact O-N 3.11Å |
| 19 | S | 70.1 | Confident | 67.6 | Low | 33 Ų | 33 | 97.5 Ų | 97.5 | 23% | 0.231 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -72.2 | -27.9 | -179.6 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | T15 A16 V17 R23 L29 | T15-S19 WeakPolarHBondContact O-CB 3.46Å; T15-S19 PolarHBondContact O-N 3.5Å; T15-S19 PolarHBondContact O-OG 3.17Å; A16-S19 WeakPolarHBondContact CA-OG 3.41Å; A16-S19 PolarHBondContact O-N 3.11Å; A16-S19 PolarHBondContact O-OG 2.89Å; A16-S19 VanDerWaalsContact O-OG 3.14Å; V17-S19 PolarHBondContact O-N 3.03Å; S19-R23 WeakPolarHBondContact O-CB 3.03Å; S19-R23 PolarHBondContact O-N 3.42Å; S19-L29 WeakPolarHBondContact OG-CD2 3.48Å |
| 20 | W | 66.5 | Low | 66.3 | Low | 70 Ų | 70 | 95 Ų | 95 | 27% | 0.265 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 169.4 | 179.4 | 82.3 | 0 | 0 | 0 | 111.5 | A16 V17 L22 R23 K24 C26 | A16-W20 WeakPolarHBondContact O-CB 3.44Å; A16-W20 PolarHBondContact O-N 3.29Å; V17-W20 PolarHBondContact O-N 2.89Å; W20-L22 VanDerWaalsContact C-N 3.35Å; W20-L22 PolarHBondContact O-N 3.3Å; W20-R23 PolarHBondContact O-N 3.01Å; W20-K24 PolarHBondContact O-N 3.24Å; W20-C26 VanDerWaalsContact CD1-O 3.22Å; W20-C26 PolarHBondContact NE1-O 3.11Å |
| 21 | Q | 70.5 | Confident | 65.1 | Low | 122 Ų | 122 | 93.2 Ų | 93.2 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.3 | -40.6 | -179.9 | -170.9 | 66.4 | 1.1 | 0 | 0 | 112.2 | V17 L18 R23 | V17-Q21 PolarHBondContact O-N 3.34Å; L18-Q21 PolarHBondContact O-N 3.34Å; Q21-R23 VanDerWaalsContact C-N 3.28Å; Q21-R23 PolarHBondContact O-N 3.49Å |
| 22 | L | 66.8 | Low | 64.4 | Low | 150 Ų | 150 | 91.5 Ų | 91.5 | 79% | 0.785 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.1 | -29 | 177.2 | -71.8 | 171.3 | 0 | 0 | 0 | 113.2 | L18 W20 | L18-L22 WeakPolarHBondContact O-CG 3.16Å; L18-L22 PolarHBondContact O-N 3.07Å; L18-L22 VanDerWaalsContact O-N 3.11Å; W20-L22 VanDerWaalsContact C-N 3.35Å; W20-L22 PolarHBondContact O-N 3.3Å |
| 23 | R | 59.6 | Low | 63.7 | Low | 178 Ų | 178 | 86.5 Ų | 86.5 | 67% | 0.672 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 4.3 | -175.9 | -75.7 | -171.3 | 166.3 | -166.3 | -4.4 | 114.7 | S19 W20 Q21 | S19-R23 WeakPolarHBondContact O-CB 3.03Å; S19-R23 PolarHBondContact O-N 3.42Å; W20-R23 PolarHBondContact O-N 3.01Å; Q21-R23 VanDerWaalsContact C-N 3.28Å; Q21-R23 PolarHBondContact O-N 3.49Å |
| 24 | K | 54.7 | Low | 62.8 | Low | 180 Ų | 180 | 90.3 Ų | 90.3 | 78% | 0.783 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 35.9 | 90.7 | 178.4 | -69.1 | -163.3 | 177.5 | -174.2 | 0 | 113.6 | W20 | W20-K24 PolarHBondContact O-N 3.24Š|
| 25 | C | 49.3 | Very low | 61.5 | Low | 101 Ų | 101 | 94.3 Ų | 94.3 | 68% | 0.682 | 49% | 0.485 | S | S | * | . | S | Bend | trans | 93.3 | 12 | 160.3 | -47.6 | 0 | 0 | 0 | 0 | 119.7 | N27 | C25-N27 PolarHBondContact O-N 2.86Š|
| 26 | C | 46.9 | Very low | 60.1 | Low | 68 Ų | 68 | 94.1 Ų | 94.1 | 46% | 0.459 | 47% | 0.473 | S | S | . | . | trans | -76 | 121.2 | 171.2 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | W20 N28 | W20-C26 VanDerWaalsContact CD1-O 3.22Å; W20-C26 PolarHBondContact NE1-O 3.11Å; C26-N28 PolarHBondContact O-N 2.92Å | ||
| 27 | N | 54.5 | Low | 58.8 | Low | 103 Ų | 103 | 95 Ų | 95 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -65.3 | -22.3 | 179.2 | -75.2 | -29.7 | 0 | 0 | 0 | 114 | C25 | C25-N27 PolarHBondContact O-N 2.86Š|
| 28 | N | 56.7 | Low | 57.8 | Low | 96 Ų | 96 | 93.5 Ų | 93.5 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 120.9 | -179.9 | -65.3 | -26.8 | 0 | 0 | 0 | 109.8 | C26 Y40 V41 | C26-N28 PolarHBondContact O-N 2.92Å; N28-Y40 CarbonylContact C-O 3.46Å; N28-Y40 WeakPolarHBondContact CA-O 3.49Å; N28-V41 WeakPolarHBondContact OD1-CG1 3.15Å; N28-V41 WeakPolarHBondContact OD1-CG2 3.45Å |
| 29 | L | 53.2 | Low | 56.6 | Low | 19 Ų | 19 | 93 Ų | 93 | 10% | 0.099 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 118 | 175 | -179.6 | 86.7 | 0 | 0 | 0 | 109.6 | A16 S19 L39 Y40 | A16-L29 VanDerWaalsContact CA-CD2 3.48Å; A16-L29 HydrophobicContact CB-CD2 3.71Å; S19-L29 WeakPolarHBondContact OG-CD2 3.48Å; L29-L39 WeakPolarHBondContact O-CA 3.43Å; L29-Y40 HydrophobicContact CD2-CD2 4.37Å; L29-Y40 PolarHBondContact N-O 3.13Å; L29-Y40 PolarHBondContact O-N 3.14Å |
| 30 | R | 55.7 | Low | 55.5 | Low | 156 Ų | 156 | 93.5 Ų | 93.5 | 59% | 0.589 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 113.6 | 170.2 | -167.9 | 177 | -173.4 | -178.8 | 0.6 | 109.1 | F38 L39 | R30-F38 WeakPolarHBondContact CA-O 3.48Å; R30-L39 HydrophobicContact CB-CD1 4.09Å; R30-L39 HydrophobicContact CG-CD1 4.45Å |
| 31 | S | 58.4 | Low | 54.5 | Low | 47 Ų | 47 | 92.5 Ų | 92.5 | 33% | 0.329 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.5 | 173.6 | 174.2 | 0 | 0 | 0 | 0 | 109.5 | R37 F38 | S31-R37 CarbonylContact O-C 3.58Å; S31-R37 WeakPolarHBondContact O-CA 3.42Å; S31-F38 PolarHBondContact N-O 3.27Å; S31-F38 PolarHBondContact O-N 3.03Å |
| 32 | S | 64.6 | Low | 53.3 | Low | 93 Ų | 93 | 93.2 Ų | 93.2 | 65% | 0.65 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 87.9 | 175 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 33 | G | 67.6 | Low | 52.2 | Low | 30 Ų | 30 | 95.3 Ų | 95.3 | 31% | 0.309 | 46% | 0.459 | S | S | . | . | trans | -84.2 | 179.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R36 A52 G53 | G33-R36 WeakPolarHBondContact CA-O 3.43Å; G33-R36 PolarHBondContact N-O 2.84Å; G33-A52 WeakPolarHBondContact O-CB 3.41Å; G33-G53 PolarHBondContact O-N 3.36Å | ||
| 34 | R | 58.3 | Low | 51.3 | Low | 143 Ų | 143 | 92.7 Ų | 92.7 | 54% | 0.54 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -59.7 | -48.4 | 177.1 | -175.8 | 172.3 | -176 | 160 | 0.1 | 112.3 | G53 N54 | R34-G53 CarbonylContact O-C 3.49Å; R34-G53 WeakPolarHBondContact O-CA 3.26Å; R34-G53 PolarHBondContact O-N 3.47Å; R34-N54 WeakPolarHBondContact CG-OD1 3.48Å; R34-N54 PolarHBondContact O-N 2.92Å; R34-N54 PolarHBondContact O-OD1 3.38Å |
| 35 | Q | 48.5 | Very low | 51.4 | Low | 133 Ų | 133 | 87.7 Ų | 87.7 | 62% | 0.621 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -96.5 | -34.6 | -176 | -64.5 | -170.3 | -13.9 | 0 | 0 | 113.8 | ||
| 36 | R | 44 | Very low | 52 | Low | 93 Ų | 93 | 84.1 Ų | 84.1 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | trans | -138.2 | 142.4 | -170.6 | -67.3 | -178.6 | 178.6 | -179.2 | -2.8 | 110.7 | G33 F38 | G33-R36 WeakPolarHBondContact CA-O 3.43Å; G33-R36 PolarHBondContact N-O 2.84Å; R36-F38 HydrophobicContact CB-CD2 4.38Å; R36-F38 HydrophobicContact CB-CE1 4.16Å; R36-F38 HydrophobicContact CB-CE2 3.61Å; R36-F38 HydrophobicContact CB-CZ 3.47Å; R36-F38 VanDerWaalsContact CB-CZ 3.47Å; R36-F38 HydrophobicContact CG-CZ 4.22Å | ||
| 37 | R | 44.7 | Very low | 52.7 | Low | 26 Ų | 26 | 89.6 Ų | 89.6 | 10% | 0.098 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139.1 | 160.9 | -61.4 | -170.1 | -78.9 | 173.4 | -1.6 | 108.9 | S31 T49 A51 A52 L162 | S31-R37 CarbonylContact O-C 3.58Å; S31-R37 WeakPolarHBondContact O-CA 3.42Å; R37-T49 PolarHBondContact N-O 2.98Å; R37-T49 PolarHBondContact O-N 3.29Å; R37-T49 VanDerWaalsContact O-N 3.13Å; R37-A51 WeakPolarHBondContact CG-O 3.27Å; R37-A51 PolarHBondContact NE-O 2.79Å; R37-A51 PolarHBondContact NH2-O 3.11Å; R37-A52 HydrophobicContact CG-CB 3.87Å; R37-L162 PolarHBondContact NH1-O 3.01Å; R37-L162 PolarHBondContact NH2-O 2.89Å |
| 38 | F | 49.7 | Very low | 53.1 | Low | 42 Ų | 42 | 88.9 Ų | 88.9 | 18% | 0.184 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.5 | 178.6 | -55.1 | -86.8 | 0 | 0 | 0 | 109.2 | R30 S31 R36 Y40 V46 R48 | R30-F38 WeakPolarHBondContact CA-O 3.48Å; S31-F38 PolarHBondContact N-O 3.27Å; S31-F38 PolarHBondContact O-N 3.03Å; R36-F38 HydrophobicContact CB-CD2 4.38Å; R36-F38 HydrophobicContact CB-CE1 4.16Å; R36-F38 HydrophobicContact CB-CE2 3.61Å; R36-F38 HydrophobicContact CB-CZ 3.47Å; R36-F38 VanDerWaalsContact CB-CZ 3.47Å; R36-F38 HydrophobicContact CG-CZ 4.22Å; F38-Y40 HydrophobicContact CB-CD2 4.12Å; F38-Y40 HydrophobicContact CB-CE2 3.88Å; F38-Y40 HydrophobicContact CD1-CE2 4.45Å; F38-Y40 HydrophobicContact CG-CE2 4.36Å; F38-V46 HydrophobicContact CB-CG1 4.4Å; F38-V46 HydrophobicContact CD1-CG1 4.01Å; F38-R48 HydrophobicContact CD1-CG 3.65Å; F38-R48 HydrophobicContact CE1-CG 3.72Å |
| 39 | L | 47.7 | Very low | 53.6 | Low | 69 Ų | 69 | 86.4 Ų | 86.4 | 36% | 0.361 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.6 | 163 | -176 | 67.7 | 0 | 0 | 0 | 107.7 | L29 R30 V41 R47 | L29-L39 WeakPolarHBondContact O-CA 3.43Å; R30-L39 HydrophobicContact CB-CD1 4.09Å; R30-L39 HydrophobicContact CG-CD1 4.45Å; L39-V41 HydrophobicContact CD2-CG2 4.15Å; L39-V41 HydrophobicContact CG-CG2 4.01Å; L39-R47 PolarHBondContact N-O 2.88Å; L39-R47 PolarHBondContact O-N 3.35Å |
| 40 | Y | 47.1 | Very low | 54.4 | Low | 44 Ų | 44 | 87.4 Ų | 87.4 | 17% | 0.173 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.7 | 169.5 | -76 | -100.7 | 0 | 0 | 0 | 107.9 | N14 A16 N28 L29 F38 V46 | N14-Y40 PolarHBondContact ND2-OH 3.42Å; N14-Y40 VanDerWaalsContact ND2-OH 3.09Å; N14-Y40 PolarHBondContact OD1-OH 2.99Å; A16-Y40 HydrophobicContact CB-CD1 3.83Å; A16-Y40 HydrophobicContact CB-CD2 3.47Å; A16-Y40 VanDerWaalsContact CB-CD2 3.47Å; A16-Y40 HydrophobicContact CB-CE1 3.68Å; A16-Y40 HydrophobicContact CB-CE2 3.32Å; A16-Y40 HydrophobicContact CB-CG 3.73Å; A16-Y40 VanDerWaalsContact CB-CZ 3.43Å; N28-Y40 CarbonylContact C-O 3.46Å; N28-Y40 WeakPolarHBondContact CA-O 3.49Å; L29-Y40 HydrophobicContact CD2-CD2 4.37Å; L29-Y40 PolarHBondContact N-O 3.13Å; L29-Y40 PolarHBondContact O-N 3.14Å; F38-Y40 HydrophobicContact CB-CD2 4.12Å; F38-Y40 HydrophobicContact CB-CE2 3.88Å; F38-Y40 HydrophobicContact CD1-CE2 4.45Å; F38-Y40 HydrophobicContact CG-CE2 4.36Å; Y40-V46 HydrophobicContact CD1-CG2 3.44Å; Y40-V46 VanDerWaalsContact CD1-CG2 3.44Å; Y40-V46 HydrophobicContact CD2-CG1 4.12Å; Y40-V46 HydrophobicContact CD2-CG2 4.47Å; Y40-V46 HydrophobicContact CE1-CB 4.27Å; Y40-V46 HydrophobicContact CE1-CG1 4.17Å; Y40-V46 HydrophobicContact CE1-CG2 3.11Å; Y40-V46 HydrophobicContact CE2-CG1 3.7Å; Y40-V46 HydrophobicContact CE2-CG2 4.21Å; Y40-V46 HydrophobicContact CG-CG2 4.12Å |
| 41 | V | 47.1 | Very low | 55.2 | Low | 50 Ų | 50 | 80.1 Ų | 80.1 | 30% | 0.303 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.3 | 173.5 | 173.4 | 0 | 0 | 0 | 0 | 105.5 | N28 L39 F43 M44 | N28-V41 WeakPolarHBondContact OD1-CG1 3.15Å; N28-V41 WeakPolarHBondContact OD1-CG2 3.45Å; L39-V41 HydrophobicContact CD2-CG2 4.15Å; L39-V41 HydrophobicContact CG-CG2 4.01Å; V41-F43 PolarHBondContact O-N 3.35Å; V41-M44 HydrophobicContact CB-CB 3.97Å; V41-M44 HydrophobicContact CG1-CB 4.11Å; V41-M44 PolarHBondContact O-N 2.91Å |
| 42 | R | 44.2 | Very low | 56.2 | Low | 136 Ų | 136 | 78 Ų | 78 | 51% | 0.513 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -9.5 | -167.6 | -154.3 | 170.9 | 173.8 | 178.4 | -5 | 115.8 | ||
| 43 | F | 44.7 | Very low | 57 | Low | 194 Ų | 194 | 74.2 Ų | 74.2 | 85% | 0.851 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.9 | 8.7 | 177.2 | -67.7 | -81.4 | 0 | 0 | 0 | 114.7 | V41 | V41-F43 PolarHBondContact O-N 3.35Š|
| 44 | M | 40.8 | Very low | 57.8 | Low | 124 Ų | 124 | 75.4 Ų | 75.4 | 61% | 0.611 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 152.4 | -176.2 | -84.8 | -156.4 | 158.2 | 0 | 0 | 113.4 | V41 | V41-M44 HydrophobicContact CB-CB 3.97Å; V41-M44 HydrophobicContact CG1-CB 4.11Å; V41-M44 PolarHBondContact O-N 2.91Å |
| 45 | P | 56.4 | Low | 59.1 | Low | 75 Ų | 75 | 69.4 Ų | 69.4 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 140.8 | 179.7 | 25.2 | -35.6 | 0 | 0 | 0 | 111.4 | R47 A191 | P45-R47 PolarHBondContact O-N 3.35Å; P45-A191 HydrophobicContact CB-CB 3.68Å |
| 46 | V | 61.8 | Low | 61.1 | Low | 26 Ų | 26 | 64.2 Ų | 64.2 | 16% | 0.158 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 110.3 | 176.3 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | F38 Y40 R48 I194 | F38-V46 HydrophobicContact CB-CG1 4.4Å; F38-V46 HydrophobicContact CD1-CG1 4.01Å; Y40-V46 HydrophobicContact CD1-CG2 3.44Å; Y40-V46 VanDerWaalsContact CD1-CG2 3.44Å; Y40-V46 HydrophobicContact CD2-CG1 4.12Å; Y40-V46 HydrophobicContact CD2-CG2 4.47Å; Y40-V46 HydrophobicContact CE1-CB 4.27Å; Y40-V46 HydrophobicContact CE1-CG1 4.17Å; Y40-V46 HydrophobicContact CE1-CG2 3.11Å; Y40-V46 HydrophobicContact CE2-CG1 3.7Å; Y40-V46 HydrophobicContact CE2-CG2 4.21Å; Y40-V46 HydrophobicContact CG-CG2 4.12Å; V46-R48 HydrophobicContact CG1-CG 4Å; V46-R48 PolarHBondContact O-N 3.46Å; V46-I194 HydrophobicContact CB-CD1 4.26Å; V46-I194 HydrophobicContact CG2-CD1 3.59Å |
| 47 | R | 61 | Low | 63.3 | Low | 182 Ų | 182 | 60.8 Ų | 60.8 | 69% | 0.687 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 114.7 | 171.6 | -67.9 | -168.1 | 179.3 | -166.3 | 2.3 | 108.7 | L39 P45 | L39-R47 PolarHBondContact N-O 2.88Å; L39-R47 PolarHBondContact O-N 3.35Å; P45-R47 PolarHBondContact O-N 3.35Å |
| 48 | R | 63.8 | Low | 65.5 | Low | 88 Ų | 88 | 66.8 Ų | 66.8 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 121.4 | 175.7 | -61 | -174.4 | 176.9 | 170.7 | -2.2 | 109.1 | F38 V46 | F38-R48 HydrophobicContact CD1-CG 3.65Å; F38-R48 HydrophobicContact CE1-CG 3.72Å; V46-R48 HydrophobicContact CG1-CG 4Å; V46-R48 PolarHBondContact O-N 3.46Å |
| 49 | T | 67.1 | Low | 67.5 | Low | 44 Ų | 44 | 66.6 Ų | 66.6 | 27% | 0.27 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129 | 168.1 | 62.5 | 0 | 0 | 0 | 0 | 109.2 | R37 A51 | R37-T49 PolarHBondContact N-O 2.98Å; R37-T49 PolarHBondContact O-N 3.29Å; R37-T49 VanDerWaalsContact O-N 3.13Å; T49-A51 PolarHBondContact O-N 2.87Å; T49-A51 PolarHBondContact OG1-O 3.05Å |
| 50 | A | 69.8 | Low | 69.6 | Low | 40 Ų | 40 | 63.3 Ų | 63.3 | 33% | 0.331 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -74.9 | -3.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A52 | A50-A52 PolarHBondContact O-N 3.45Å; A50-A52 VanDerWaalsContact O-N 3.11Å |
| 51 | A | 72 | Confident | 71.8 | Confident | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.033 | 31% | 0.308 | C | S | . | . | trans | -70.1 | 96.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108 | R37 T49 M55 L162 | R37-A51 WeakPolarHBondContact CG-O 3.27Å; R37-A51 PolarHBondContact NE-O 2.79Å; R37-A51 PolarHBondContact NH2-O 3.11Å; T49-A51 PolarHBondContact O-N 2.87Å; T49-A51 PolarHBondContact OG1-O 3.05Å; A51-M55 HydrophobicContact CB-CE 4.03Å; A51-M55 HydrophobicContact CB-SD 3.48Å; A51-M55 WeakPolarHBondContact CB-SD 3.18Å; A51-L162 HydrophobicContact CB-CD2 4.48Å | ||
| 52 | A | 78.9 | Confident | 74 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -148.6 | -156.1 | -178 | 0 | 0 | 0 | 0 | 0 | 109.8 | G33 R37 A50 N54 M55 L56 | G33-A52 WeakPolarHBondContact O-CB 3.41Å; R37-A52 HydrophobicContact CG-CB 3.87Å; A50-A52 PolarHBondContact O-N 3.45Å; A50-A52 VanDerWaalsContact O-N 3.11Å; A52-N54 PolarHBondContact O-N 2.58Å; A52-N54 VanDerWaalsContact O-N 3.11Å; A52-M55 WeakPolarHBondContact O-CA 3.27Å; A52-M55 WeakPolarHBondContact O-CB 3.4Å; A52-M55 PolarHBondContact O-N 3.38Å; A52-L56 PolarHBondContact O-N 3.1Å |
| 53 | G | 81.9 | Confident | 76.3 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.3 | -33.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G33 R34 M55 L56 N57 | G33-G53 PolarHBondContact O-N 3.36Å; R34-G53 CarbonylContact O-C 3.49Å; R34-G53 WeakPolarHBondContact O-CA 3.26Å; R34-G53 PolarHBondContact O-N 3.47Å; G53-M55 VanDerWaalsContact C-N 3.33Å; G53-M55 PolarHBondContact O-N 3.19Å; G53-L56 PolarHBondContact O-N 3.34Å; G53-N57 VanDerWaalsContact O-CG 3.22Å; G53-N57 PolarHBondContact O-N 3.06Å; G53-N57 PolarHBondContact O-OD1 2.93Å; G53-N57 VanDerWaalsContact O-OD1 3.14Å |
| 54 | N | 85.4 | Confident | 78.6 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.5 | -33.8 | 175.1 | -77.8 | -2.8 | 0 | 0 | 0 | 112.7 | R34 A52 R58 | R34-N54 WeakPolarHBondContact CG-OD1 3.48Å; R34-N54 PolarHBondContact O-N 2.92Å; R34-N54 PolarHBondContact O-OD1 3.38Å; A52-N54 PolarHBondContact O-N 2.58Å; A52-N54 VanDerWaalsContact O-N 3.11Å; N54-R58 WeakPolarHBondContact O-CG 3.33Å; N54-R58 PolarHBondContact O-N 3.05Å; N54-R58 VanDerWaalsContact O-N 3.16Å |
| 55 | M | 85.4 | Confident | 81.1 | Confident | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.8 | -47.1 | 174.8 | -169.8 | 177.8 | 97.7 | 0 | 0 | 110.3 | A51 A52 G53 N57 R58 L59 A161 L162 | A51-M55 HydrophobicContact CB-CE 4.03Å; A51-M55 HydrophobicContact CB-SD 3.48Å; A51-M55 WeakPolarHBondContact CB-SD 3.18Å; A52-M55 WeakPolarHBondContact O-CA 3.27Å; A52-M55 WeakPolarHBondContact O-CB 3.4Å; A52-M55 PolarHBondContact O-N 3.38Å; G53-M55 VanDerWaalsContact C-N 3.33Å; G53-M55 PolarHBondContact O-N 3.19Å; M55-N57 VanDerWaalsContact C-N 3.3Å; M55-N57 PolarHBondContact O-N 3.05Å; M55-R58 WeakPolarHBondContact O-CA 3.49Å; M55-R58 WeakPolarHBondContact O-CB 3.49Å; M55-R58 PolarHBondContact O-N 3.38Å; M55-L59 HydrophobicContact CE-CD1 4.1Å; M55-L59 HydrophobicContact CG-CD1 4.29Å; M55-L59 WeakPolarHBondContact O-CG 3.47Å; M55-L59 PolarHBondContact O-N 2.87Å; M55-A161 HydrophobicContact CE-CB 4.38Å; M55-A161 WeakPolarHBondContact CE-O 3.05Å; M55-L162 HydrophobicContact CE-CD2 3.55Å; M55-L162 HydrophobicContact CE-CG 4.13Å |
| 56 | L | 89.7 | Confident | 82.8 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.1 | -46.3 | 173.9 | -68.9 | 178.2 | 0 | 0 | 0 | 111.4 | A52 G53 R58 L59 C60 K117 V158 L162 | A52-L56 PolarHBondContact O-N 3.1Å; G53-L56 PolarHBondContact O-N 3.34Å; L56-R58 PolarHBondContact O-N 2.81Å; L56-L59 PolarHBondContact O-N 2.89Å; L56-L59 VanDerWaalsContact O-N 3.1Å; L56-C60 PolarHBondContact O-N 3.35Å; L56-C60 PolarHBondContact O-SG 2.91Å; L56-K117 HydrophobicContact CB-CD 3.75Å; L56-K117 HydrophobicContact CD1-CD 3.92Å; L56-V158 HydrophobicContact CD2-CG1 3.99Å; L56-V158 VanDerWaalsContact CD2-O 3.29Å; L56-V158 WeakPolarHBondContact CD2-O 3.44Å; L56-L162 HydrophobicContact CD1-CD1 3.86Å; L56-L162 HydrophobicContact CD2-CD1 3.66Å; L56-L162 HydrophobicContact CD2-CD2 4.32Å; L56-L162 HydrophobicContact CD2-CG 3.8Å; L56-L162 HydrophobicContact CG-CD1 3.88Å; L56-L162 HydrophobicContact CG-CD2 4.28Å; L56-L162 HydrophobicContact CG-CG 4.22Å |
| 57 | N | 91.3 | Very high | 84.1 | Confident | 21 Ų | 21 | 61.9 Ų | 61.9 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.1 | -36.3 | 177.4 | -68.4 | 1.4 | 0 | 0 | 0 | 112.5 | G53 M55 K61 I113 K117 | G53-N57 VanDerWaalsContact O-CG 3.22Å; G53-N57 PolarHBondContact O-N 3.06Å; G53-N57 PolarHBondContact O-OD1 2.93Å; G53-N57 VanDerWaalsContact O-OD1 3.14Å; M55-N57 VanDerWaalsContact C-N 3.3Å; M55-N57 PolarHBondContact O-N 3.05Å; N57-K61 WeakPolarHBondContact O-CG 3.46Å; N57-K61 PolarHBondContact O-N 3.01Å; N57-K61 VanDerWaalsContact O-N 3.14Å; N57-I113 HydrophobicContact CB-CG2 4.3Å; N57-K117 PolarHBondContact OD1-NZ 2.9Å |
| 58 | R | 89.8 | Confident | 85.6 | Confident | 153 Ų | 153 | 60 Ų | 60 | 58% | 0.577 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -70.2 | -40.2 | 175.8 | -72.4 | -175.2 | -65.1 | 176.3 | 4.4 | 111.8 | N54 M55 L56 K61 K62 | N54-R58 WeakPolarHBondContact O-CG 3.33Å; N54-R58 PolarHBondContact O-N 3.05Å; N54-R58 VanDerWaalsContact O-N 3.16Å; M55-R58 WeakPolarHBondContact O-CA 3.49Å; M55-R58 WeakPolarHBondContact O-CB 3.49Å; M55-R58 PolarHBondContact O-N 3.38Å; L56-R58 PolarHBondContact O-N 2.81Å; R58-K61 WeakPolarHBondContact O-CB 3.18Å; R58-K61 PolarHBondContact O-N 3.37Å; R58-K62 PolarHBondContact O-N 2.81Å |
| 59 | L | 91.1 | Very high | 86.9 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 20% | 0.199 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.4 | -43.5 | 177.1 | -67.5 | 173.4 | 0 | 0 | 0 | 111.8 | M55 L56 K61 K62 L63 V158 A161 | M55-L59 HydrophobicContact CE-CD1 4.1Å; M55-L59 HydrophobicContact CG-CD1 4.29Å; M55-L59 WeakPolarHBondContact O-CG 3.47Å; M55-L59 PolarHBondContact O-N 2.87Å; L56-L59 PolarHBondContact O-N 2.89Å; L56-L59 VanDerWaalsContact O-N 3.1Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 2.94Å; L59-K62 WeakPolarHBondContact O-CB 3.09Å; L59-K62 PolarHBondContact O-N 3Å; L59-L63 PolarHBondContact O-N 3.03Å; L59-V158 HydrophobicContact CB-CG1 3.86Å; L59-A161 HydrophobicContact CD1-CB 3.48Å; L59-A161 VanDerWaalsContact CD1-CB 3.48Å |
| 60 | C | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.1 | -45.7 | 171 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | L56 K62 L63 L64 I113 F116 | L56-C60 PolarHBondContact O-N 3.35Å; L56-C60 PolarHBondContact O-SG 2.91Å; C60-K62 VanDerWaalsContact C-N 3.28Å; C60-K62 PolarHBondContact O-N 3.14Å; C60-L63 PolarHBondContact O-N 3.27Å; C60-L64 VanDerWaalsContact O-CG 3.28Å; C60-L64 WeakPolarHBondContact O-CG 3.16Å; C60-L64 PolarHBondContact O-N 3.3Å; C60-I113 HydrophobicContact CB-CG2 3.82Å; C60-F116 HydrophobicContact CB-CD1 4.06Å; C60-F116 HydrophobicContact CB-CE1 4.15Å |
| 61 | K | 93 | Very high | 89 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 34% | 0.343 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 175.5 | -77.1 | -179.7 | 179.3 | -172.2 | 0 | 112.4 | N57 R58 L59 R65 I113 | N57-K61 WeakPolarHBondContact O-CG 3.46Å; N57-K61 PolarHBondContact O-N 3.01Å; N57-K61 VanDerWaalsContact O-N 3.14Å; R58-K61 WeakPolarHBondContact O-CB 3.18Å; R58-K61 PolarHBondContact O-N 3.37Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 2.94Å; K61-R65 VanDerWaalsContact O-CG 3.26Å; K61-R65 WeakPolarHBondContact O-CG 3.45Å; K61-R65 PolarHBondContact O-N 3.15Å; K61-R65 VanDerWaalsContact O-N 3.13Å; K61-I113 HydrophobicContact CD-CD1 3.84Å; K61-I113 HydrophobicContact CG-CD1 3.36Å; K61-I113 HydrophobicContact CG-CG1 4.35Å |
| 62 | K | 92.9 | Very high | 89.9 | Confident | 124 Ų | 124 | 58 Ų | 58 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.7 | -47.9 | 178.5 | -167.9 | -174 | 178.5 | -163.5 | 0 | 110.8 | R58 L59 C60 L64 R65 E66 | R58-K62 PolarHBondContact O-N 2.81Å; L59-K62 WeakPolarHBondContact O-CB 3.09Å; L59-K62 PolarHBondContact O-N 3Å; C60-K62 VanDerWaalsContact C-N 3.28Å; C60-K62 PolarHBondContact O-N 3.14Å; K62-L64 PolarHBondContact O-N 3.17Å; K62-R65 WeakPolarHBondContact O-CB 3.26Å; K62-R65 PolarHBondContact O-N 3.27Å; K62-R65 VanDerWaalsContact O-N 3.14Å; K62-E66 WeakPolarHBondContact CE-OE1 3.28Å; K62-E66 IonicContact NZ-OE1 2.67Å; K62-E66 WeakPolarHBondContact O-CG 3.41Å; K62-E66 PolarHBondContact O-N 2.96Å |
| 63 | L | 92.4 | Very high | 90.4 | Very high | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57 | -47.3 | 176.4 | -174.1 | 162.2 | 0 | 0 | 0 | 111.6 | L59 C60 R65 E66 K67 F116 F151 E154 V158 | L59-L63 PolarHBondContact O-N 3.03Å; C60-L63 PolarHBondContact O-N 3.27Å; L63-R65 VanDerWaalsContact C-N 3.28Å; L63-R65 PolarHBondContact O-N 2.71Å; L63-E66 PolarHBondContact O-N 3.42Å; L63-K67 HydrophobicContact CD2-CG 4.43Å; L63-K67 PolarHBondContact O-N 2.86Å; L63-F116 HydrophobicContact CD2-CZ 4.49Å; L63-F151 HydrophobicContact CD2-CD1 4.11Å; L63-F151 HydrophobicContact CD2-CE1 3.65Å; L63-E154 HydrophobicContact CD1-CB 3.95Å; L63-V158 HydrophobicContact CD1-CG2 3.5Å |
| 64 | L | 92.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -32.9 | 179.1 | -65.5 | 172.6 | 0 | 0 | 0 | 112.5 | C60 K62 N68 I69 V71 F116 F143 F151 | C60-L64 VanDerWaalsContact O-CG 3.28Å; C60-L64 WeakPolarHBondContact O-CG 3.16Å; C60-L64 PolarHBondContact O-N 3.3Å; K62-L64 PolarHBondContact O-N 3.17Å; L64-N68 PolarHBondContact O-N 3.12Å; L64-I69 HydrophobicContact CD2-CB 4.34Å; L64-I69 HydrophobicContact CD2-CD1 4.1Å; L64-I69 PolarHBondContact O-N 2.91Å; L64-V71 HydrophobicContact CB-CG2 4.13Å; L64-V71 HydrophobicContact CD1-CG2 3.53Å; L64-V71 HydrophobicContact CG-CG2 4.42Å; L64-F116 HydrophobicContact CD1-CD1 4.46Å; L64-F116 HydrophobicContact CD2-CE2 4.2Å; L64-F116 HydrophobicContact CD2-CZ 4.13Å; L64-F143 HydrophobicContact CD1-CE1 4.32Å; L64-F143 HydrophobicContact CD2-CE1 4.08Å; L64-F143 HydrophobicContact CD2-CZ 3.58Å; L64-F151 HydrophobicContact CD2-CE1 4.41Å; L64-F151 HydrophobicContact CD2-CZ 4.11Å |
| 65 | R | 93.2 | Very high | 91 | Very high | 197 Ų | 197 | 59 Ų | 59 | 74% | 0.743 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -69.7 | -41.9 | 172.1 | -73.5 | 174.6 | -174.3 | -155.2 | -0.9 | 112.2 | K61 K62 L63 K67 N68 | K61-R65 VanDerWaalsContact O-CG 3.26Å; K61-R65 WeakPolarHBondContact O-CG 3.45Å; K61-R65 PolarHBondContact O-N 3.15Å; K61-R65 VanDerWaalsContact O-N 3.13Å; K62-R65 WeakPolarHBondContact O-CB 3.26Å; K62-R65 PolarHBondContact O-N 3.27Å; K62-R65 VanDerWaalsContact O-N 3.14Å; L63-R65 VanDerWaalsContact C-N 3.28Å; L63-R65 PolarHBondContact O-N 2.71Å; R65-K67 PolarHBondContact O-N 3.11Å; R65-N68 PolarHBondContact O-N 2.8Å |
| 66 | E | 92.8 | Very high | 91.2 | Very high | 101 Ų | 101 | 64.3 Ų | 64.3 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.2 | -36.2 | 176.6 | -72.7 | 171 | -171.5 | 0 | 0 | 111.5 | K62 L63 N68 | K62-E66 WeakPolarHBondContact CE-OE1 3.28Å; K62-E66 IonicContact NZ-OE1 2.67Å; K62-E66 WeakPolarHBondContact O-CG 3.41Å; K62-E66 PolarHBondContact O-N 2.96Å; L63-E66 PolarHBondContact O-N 3.42Å; E66-N68 VanDerWaalsContact C-N 3.31Å; E66-N68 PolarHBondContact O-N 2.7Å |
| 67 | K | 89.9 | Confident | 91.2 | Very high | 101 Ų | 101 | 64.3 Ų | 64.3 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.2 | 174.3 | -69.5 | -71.8 | -174.4 | -179.9 | 0 | 114.8 | L63 R65 I69 E154 | L63-K67 HydrophobicContact CD2-CG 4.43Å; L63-K67 PolarHBondContact O-N 2.86Å; R65-K67 PolarHBondContact O-N 3.11Å; K67-I69 HydrophobicContact CB-CD1 3.72Å; K67-I69 HydrophobicContact CB-CG1 3.8Å; K67-I69 HydrophobicContact CG-CD1 4.49Å; K67-I69 PolarHBondContact O-N 2.95Å; K67-E154 WeakPolarHBondContact CE-OE1 3.32Å; K67-E154 WeakPolarHBondContact CE-OE2 3.36Å; K67-E154 IonicContact NZ-OE1 2.74Å; K67-E154 PolarHBondContact NZ-OE1 3.33Å; K67-E154 IonicContact NZ-OE2 2.68Å |
| 68 | N | 90.7 | Very high | 91.1 | Very high | 144 Ų | 144 | 65.3 Ų | 65.3 | 77% | 0.77 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 33.5 | -174.5 | -60.6 | -62 | 0 | 0 | 0 | 114.4 | L64 R65 E66 P70 | L64-N68 PolarHBondContact O-N 3.12Å; R65-N68 PolarHBondContact O-N 2.8Å; E66-N68 VanDerWaalsContact C-N 3.31Å; E66-N68 PolarHBondContact O-N 2.7Å; N68-P70 WeakPolarHBondContact O-CD 3.49Å |
| 69 | I | 91.3 | Very high | 91 | Very high | 9 Ų | 9 | 65.2 Ų | 65.2 | 5% | 0.046 | 32% | 0.316 | C | S | . | . | trans | -92.1 | 115.7 | 179.1 | -57.1 | 171.2 | 0 | 0 | 0 | 109.2 | L64 K67 V71 F143 H149 F151 | L64-I69 HydrophobicContact CD2-CB 4.34Å; L64-I69 HydrophobicContact CD2-CD1 4.1Å; L64-I69 PolarHBondContact O-N 2.91Å; K67-I69 HydrophobicContact CB-CD1 3.72Å; K67-I69 HydrophobicContact CB-CG1 3.8Å; K67-I69 HydrophobicContact CG-CD1 4.49Å; K67-I69 PolarHBondContact O-N 2.95Å; I69-V71 PolarHBondContact O-N 3.26Å; I69-F143 HydrophobicContact CD1-CE2 4.34Å; I69-F143 HydrophobicContact CG2-CD2 4.15Å; I69-F143 HydrophobicContact CG2-CE1 4.28Å; I69-F143 HydrophobicContact CG2-CE2 3.72Å; I69-F143 HydrophobicContact CG2-CZ 3.81Å; I69-H149 HydrophobicContact CD1-CB 3.96Å; I69-F151 HydrophobicContact CD1-CE1 4.37Å; I69-F151 HydrophobicContact CD1-CZ 3.91Å | ||
| 70 | P | 89.9 | Confident | 90.9 | Very high | 57 Ų | 57 | 66.6 Ų | 66.6 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | trans | -72.5 | 122.4 | 178.7 | 29.2 | -33.7 | 0 | 0 | 0 | 110.7 | N68 I72 P89 | N68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-I72 HydrophobicContact CB-CD1 4.3Å; P70-I72 HydrophobicContact CG-CD1 4.43Å; P70-I72 PolarHBondContact O-N 3.35Å; P70-P89 HydrophobicContact CG-CG 3.74Å | ||
| 71 | V | 91.6 | Very high | 90.6 | Very high | 37 Ų | 37 | 71.6 Ų | 71.6 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | trans | -89.5 | 106.5 | 173.8 | -169.9 | 0 | 0 | 0 | 0 | 109 | L64 I69 T109 V112 I113 | L64-V71 HydrophobicContact CB-CG2 4.13Å; L64-V71 HydrophobicContact CD1-CG2 3.53Å; L64-V71 HydrophobicContact CG-CG2 4.42Å; I69-V71 PolarHBondContact O-N 3.26Å; V71-T109 HydrophobicContact CB-CG2 4.09Å; V71-T109 HydrophobicContact CG1-CG2 3.63Å; V71-V112 HydrophobicContact CG1-CB 4.11Å; V71-V112 HydrophobicContact CG1-CG1 3.95Å; V71-I113 HydrophobicContact CG1-CG1 4.21Å | ||
| 72 | I | 90.9 | Very high | 90.2 | Very high | 30 Ų | 30 | 78.6 Ų | 78.6 | 15% | 0.154 | 38% | 0.376 | C | S | . | . | trans | -107.5 | 129.4 | 179.7 | -61.6 | 145.1 | 0 | 0 | 0 | 108.5 | P70 R76 I77 P89 F91 A145 | P70-I72 HydrophobicContact CB-CD1 4.3Å; P70-I72 HydrophobicContact CG-CD1 4.43Å; P70-I72 PolarHBondContact O-N 3.35Å; I72-R76 HydrophobicContact CG2-CB 3.91Å; I72-I77 HydrophobicContact CB-CD1 4.41Å; I72-I77 HydrophobicContact CG2-CD1 4.01Å; I72-I77 HydrophobicContact CG2-CG1 3.93Å; I72-P89 HydrophobicContact CD1-CG 4.17Å; I72-F91 HydrophobicContact CD1-CD1 4.21Å; I72-F91 HydrophobicContact CD1-CE1 3.28Å; I72-F91 HydrophobicContact CD1-CZ 3.49Å; I72-F91 VanDerWaalsContact CD1-CZ 3.49Å; I72-F91 HydrophobicContact CG1-CE1 4.46Å; I72-F91 HydrophobicContact CG1-CZ 4.25Å; I72-F91 HydrophobicContact CG2-CE2 4.37Å; I72-F91 HydrophobicContact CG2-CZ 4.23Å; I72-A145 HydrophobicContact CD1-CB 4.09Å | ||
| 73 | G | 90.3 | Very high | 90 | Very high | 2 Ų | 2 | 74.4 Ų | 74.4 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | trans | -67.3 | 139.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y75 R76 | G73-Y75 PolarHBondContact O-N 3.2Å; G73-R76 PolarHBondContact O-N 3.05Å | ||
| 74 | S | 89.4 | Confident | 89.8 | Confident | 59 Ų | 59 | 76.6 Ų | 76.6 | 41% | 0.413 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -52.3 | -31.4 | -174.4 | -48.4 | 0 | 0 | 0 | 0 | 114.4 | R76 I77 | S74-R76 VanDerWaalsContact C-N 3.26Å; S74-R76 PolarHBondContact O-N 3.34Å; S74-I77 PolarHBondContact O-N 3.27Å; S74-I77 VanDerWaalsContact O-N 3.15Å |
| 75 | Y | 90.4 | Very high | 89.5 | Confident | 32 Ų | 32 | 81 Ų | 81 | 13% | 0.125 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -61.2 | -28.5 | 179.6 | 73.7 | -76.6 | 0 | 0 | 0 | 114.3 | G73 I77 T94 L97 V100 Y104 C105 M108 | G73-Y75 PolarHBondContact O-N 3.2Å; Y75-I77 VanDerWaalsContact C-N 3.31Å; Y75-T94 PolarHBondContact O-OG1 3.37Å; Y75-L97 HydrophobicContact CD2-CD2 3.66Å; Y75-L97 HydrophobicContact CE2-CD2 4.31Å; Y75-V100 HydrophobicContact CD2-CG2 4.29Å; Y75-V100 HydrophobicContact CE2-CB 4.31Å; Y75-V100 HydrophobicContact CE2-CG1 4.04Å; Y75-V100 HydrophobicContact CE2-CG2 3.89Å; Y75-Y104 HydrophobicContact CD1-CE1 4Å; Y75-Y104 AromaticContact CD2-CE1 3.9Å; Y75-Y104 HydrophobicContact CD2-CE1 3.9Å; Y75-Y104 HydrophobicContact CE1-CE1 4.36Å; Y75-Y104 HydrophobicContact CE2-CD1 4.42Å; Y75-Y104 HydrophobicContact CE2-CE1 4.24Å; Y75-Y104 AromaticContact CG-CE1 3.76Å; Y75-Y104 HydrophobicContact CG-CE1 3.76Å; Y75-C105 WeakPolarHBondContact OH-CB 3.34Å; Y75-C105 PolarHBondContact OH-SG 3.46Å; Y75-M108 HydrophobicContact CD1-CB 3.55Å; Y75-M108 HydrophobicContact CD1-CE 4.35Å; Y75-M108 HydrophobicContact CD1-CG 3.6Å; Y75-M108 HydrophobicContact CE1-CB 3.66Å; Y75-M108 HydrophobicContact CE1-CG 3.99Å; Y75-M108 HydrophobicContact CG-CG 4.37Å |
| 76 | R | 89.3 | Confident | 89.2 | Confident | 127 Ų | 127 | 74 Ų | 74 | 48% | 0.479 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -79.5 | -15.9 | 179.4 | -67.4 | -172.4 | 177.7 | -171.2 | -4.7 | 113.2 | I72 G73 S74 V93 T94 | I72-R76 HydrophobicContact CG2-CB 3.91Å; G73-R76 PolarHBondContact O-N 3.05Å; S74-R76 VanDerWaalsContact C-N 3.26Å; S74-R76 PolarHBondContact O-N 3.34Å; R76-V93 WeakPolarHBondContact O-CA 3.36Å; R76-T94 PolarHBondContact O-N 2.88Å |
| 77 | I | 90.2 | Very high | 88.9 | Confident | 23 Ų | 23 | 75.1 Ų | 75.1 | 12% | 0.118 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.3 | -173 | -64.2 | 154 | 0 | 0 | 0 | 108.2 | I72 S74 Y75 F91 T94 P144 A145 | I72-I77 HydrophobicContact CB-CD1 4.41Å; I72-I77 HydrophobicContact CG2-CD1 4.01Å; I72-I77 HydrophobicContact CG2-CG1 3.93Å; S74-I77 PolarHBondContact O-N 3.27Å; S74-I77 VanDerWaalsContact O-N 3.15Å; Y75-I77 VanDerWaalsContact C-N 3.31Å; I77-F91 HydrophobicContact CB-CD2 4.4Å; I77-F91 HydrophobicContact CG1-CD2 3.88Å; I77-F91 HydrophobicContact CG1-CE2 4.29Å; I77-F91 HydrophobicContact CG1-CG 4.23Å; I77-F91 HydrophobicContact CG2-CB 4.16Å; I77-T94 VanDerWaalsContact C-OG1 3.26Å; I77-T94 PolarHBondContact O-OG1 2.96Å; I77-P144 HydrophobicContact CD1-CB 3.76Å; I77-A145 HydrophobicContact CD1-CB 3.93Å; I77-A145 HydrophobicContact CG1-CB 4.43Å |
| 78 | G | 87.7 | Confident | 88.8 | Confident | 42 Ų | 42 | 74.7 Ų | 74.7 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -73.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S92 T94 | G78-S92 WeakPolarHBondContact CA-O 3.29Å; G78-S92 PolarHBondContact N-O 2.91Å; G78-T94 WeakPolarHBondContact CA-OG1 3.45Å; G78-T94 PolarHBondContact N-OG1 3.35Å |
| 79 | K | 88.3 | Confident | 88.7 | Confident | 151 Ų | 151 | 68.9 Ų | 68.9 | 66% | 0.657 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.3 | 172.7 | -62.9 | 179.5 | 179.6 | 179.2 | 0 | 108.8 | F91 S92 | K79-F91 CarbonylContact O-C 3.54Å; K79-F91 VanDerWaalsContact O-CA 3.27Å; K79-F91 WeakPolarHBondContact O-CA 3.39Å; K79-S92 WeakPolarHBondContact CB-OG 3.48Å; K79-S92 PolarHBondContact N-OG 2.91Å; K79-S92 PolarHBondContact O-N 3.44Å |
| 80 | S | 88.4 | Confident | 88.6 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 47% | 0.469 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 137 | 172.8 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 81 | H | 88.2 | Confident | 88.5 | Confident | 105 Ų | 105 | 72.4 Ų | 72.4 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 138.9 | 170.5 | -65.9 | -78.9 | 0 | 0 | 0 | 109.2 | V83 V90 | H81-V83 WeakPolarHBondContact O-CG2 3.49Å; H81-V83 PolarHBondContact O-N 3.01Å; H81-V90 HydrophobicContact CB-CB 4.39Å; H81-V90 HydrophobicContact CB-CG1 4.4Å; H81-V90 WeakPolarHBondContact CB-O 3.48Å; H81-V90 PolarHBondContact N-O 3.32Å |
| 82 | R | 84.8 | Confident | 88.4 | Confident | 226 Ų | 226 | 73 Ų | 73 | 85% | 0.853 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 126.7 | 173.1 | -68.3 | -174.8 | 178.9 | -169.9 | -0.8 | 108.4 | ||
| 83 | V | 88.3 | Confident | 88.2 | Confident | 37 Ų | 37 | 76.1 Ų | 76.1 | 22% | 0.224 | 42% | 0.421 | C | S | . | . | trans | -114.6 | 153.4 | 177 | -158.2 | 0 | 0 | 0 | 0 | 108.6 | H81 K87 V90 | H81-V83 WeakPolarHBondContact O-CG2 3.49Å; H81-V83 PolarHBondContact O-N 3.01Å; V83-K87 HydrophobicContact CB-CB 4.42Å; V83-K87 HydrophobicContact CG1-CB 3.43Å; V83-K87 VanDerWaalsContact CG1-CB 3.43Å; V83-K87 HydrophobicContact CG1-CG 4.23Å; V83-V90 HydrophobicContact CG2-CB 4.03Å; V83-V90 HydrophobicContact CG2-CG2 4Å | ||
| 84 | A | 87.6 | Confident | 88.1 | Confident | 59 Ų | 59 | 78.2 Ų | 78.2 | 49% | 0.488 | 43% | 0.434 | S | S | . | . | trans | -53.7 | 148.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G86 K87 | A84-G86 PolarHBondContact O-N 3.35Å; A84-K87 HydrophobicContact CB-CG 4.15Å; A84-K87 WeakPolarHBondContact O-CB 3.5Å; A84-K87 PolarHBondContact O-N 2.66Å | ||
| 85 | P | 87 | Confident | 87.4 | Confident | 94 Ų | 94 | 82.9 Ų | 82.9 | 61% | 0.61 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 136.7 | -178.9 | 24.2 | -33.8 | 0 | 0 | 0 | 111 | K87 T148 | P85-K87 VanDerWaalsContact C-N 3.32Å; P85-K87 PolarHBondContact O-N 3.5Å; P85-T148 WeakPolarHBondContact CA-O 3.35Å |
| 86 | G | 85.9 | Confident | 87 | Confident | 50 Ų | 50 | 92 Ų | 92 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -9.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | A84 T148 | A84-G86 PolarHBondContact O-N 3.35Å; G86-T148 PolarHBondContact N-O 3.3Å |
| 87 | K | 87.6 | Confident | 86.7 | Confident | 126 Ų | 126 | 88.9 Ų | 88.9 | 55% | 0.548 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -82.6 | 154.4 | 176.5 | -67.6 | -63.9 | -176.3 | -178 | 0 | 111.9 | V83 A84 P85 | V83-K87 HydrophobicContact CB-CB 4.42Å; V83-K87 HydrophobicContact CG1-CB 3.43Å; V83-K87 VanDerWaalsContact CG1-CB 3.43Å; V83-K87 HydrophobicContact CG1-CG 4.23Å; A84-K87 HydrophobicContact CB-CG 4.15Å; A84-K87 WeakPolarHBondContact O-CB 3.5Å; A84-K87 PolarHBondContact O-N 2.66Å; P85-K87 VanDerWaalsContact C-N 3.32Å; P85-K87 PolarHBondContact O-N 3.5Å |
| 88 | P | 86.9 | Confident | 86.6 | Confident | 92 Ų | 92 | 92.4 Ų | 92.4 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 150.9 | 175.7 | 27.3 | -35.4 | 0 | 0 | 0 | 111 | ||
| 89 | P | 88.6 | Confident | 86.5 | Confident | 21 Ų | 21 | 96.7 Ų | 96.7 | 14% | 0.136 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 141.5 | -178.6 | 26.5 | -33 | 0 | 0 | 0 | 112.3 | P70 I72 F91 A145 N147 | P70-P89 HydrophobicContact CG-CG 3.74Å; I72-P89 HydrophobicContact CD1-CG 4.17Å; P89-F91 HydrophobicContact CB-CD1 4.14Å; P89-F91 HydrophobicContact CG-CE1 4.4Å; P89-A145 HydrophobicContact CB-CB 3.5Å; P89-A145 HydrophobicContact CG-CB 4.11Å; P89-N147 HydrophobicContact CB-CB 4.03Å |
| 90 | V | 88.7 | Confident | 86.5 | Confident | 82 Ų | 82 | 91.4 Ų | 91.4 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 109.3 | 171.6 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | H81 V83 | H81-V90 HydrophobicContact CB-CB 4.39Å; H81-V90 HydrophobicContact CB-CG1 4.4Å; H81-V90 WeakPolarHBondContact CB-O 3.48Å; H81-V90 PolarHBondContact N-O 3.32Å; V83-V90 HydrophobicContact CG2-CB 4.03Å; V83-V90 HydrophobicContact CG2-CG2 4Å |
| 91 | F | 89.4 | Confident | 86.8 | Confident | 59 Ų | 59 | 92.8 Ų | 92.8 | 26% | 0.259 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 147 | 179.5 | 64.3 | -79.7 | 0 | 0 | 0 | 110.5 | I72 I77 K79 P89 V93 A145 | I72-F91 HydrophobicContact CD1-CD1 4.21Å; I72-F91 HydrophobicContact CD1-CE1 3.28Å; I72-F91 HydrophobicContact CD1-CZ 3.49Å; I72-F91 VanDerWaalsContact CD1-CZ 3.49Å; I72-F91 HydrophobicContact CG1-CE1 4.46Å; I72-F91 HydrophobicContact CG1-CZ 4.25Å; I72-F91 HydrophobicContact CG2-CE2 4.37Å; I72-F91 HydrophobicContact CG2-CZ 4.23Å; I77-F91 HydrophobicContact CB-CD2 4.4Å; I77-F91 HydrophobicContact CG1-CD2 3.88Å; I77-F91 HydrophobicContact CG1-CE2 4.29Å; I77-F91 HydrophobicContact CG1-CG 4.23Å; I77-F91 HydrophobicContact CG2-CB 4.16Å; K79-F91 CarbonylContact O-C 3.54Å; K79-F91 VanDerWaalsContact O-CA 3.27Å; K79-F91 WeakPolarHBondContact O-CA 3.39Å; P89-F91 HydrophobicContact CB-CD1 4.14Å; P89-F91 HydrophobicContact CG-CE1 4.4Å; F91-V93 HydrophobicContact CE2-CG2 4.32Å; F91-A145 HydrophobicContact CD1-CB 4.06Å |
| 92 | S | 88.2 | Confident | 87 | Confident | 50 Ų | 50 | 93.2 Ų | 93.2 | 35% | 0.35 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 142.3 | 167.2 | 70.2 | 0 | 0 | 0 | 0 | 109.8 | G78 K79 | G78-S92 WeakPolarHBondContact CA-O 3.29Å; G78-S92 PolarHBondContact N-O 2.91Å; K79-S92 WeakPolarHBondContact CB-OG 3.48Å; K79-S92 PolarHBondContact N-OG 2.91Å; K79-S92 PolarHBondContact O-N 3.44Å |
| 93 | V | 87.8 | Confident | 87.4 | Confident | 94 Ų | 94 | 87.9 Ų | 87.9 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 137.3 | 173.5 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | R76 F91 Q95 L97 | R76-V93 WeakPolarHBondContact O-CA 3.36Å; F91-V93 HydrophobicContact CE2-CG2 4.32Å; V93-Q95 PolarHBondContact O-N 3.01Å; V93-Q95 VanDerWaalsContact O-N 3.11Å; V93-L97 HydrophobicContact CG1-CD1 4.05Å |
| 94 | T | 86.8 | Confident | 87.6 | Confident | 47 Ų | 47 | 91.1 Ų | 91.1 | 29% | 0.288 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 116.3 | 175.9 | -48.5 | 0 | 0 | 0 | 0 | 110 | Y75 R76 I77 G78 L97 | Y75-T94 PolarHBondContact O-OG1 3.37Å; R76-T94 PolarHBondContact O-N 2.88Å; I77-T94 VanDerWaalsContact C-OG1 3.26Å; I77-T94 PolarHBondContact O-OG1 2.96Å; G78-T94 WeakPolarHBondContact CA-OG1 3.45Å; G78-T94 PolarHBondContact N-OG1 3.35Å; T94-L97 HydrophobicContact CG2-CG 4.47Å; T94-L97 WeakPolarHBondContact O-CD1 3.48Å |
| 95 | Q | 75.8 | Confident | 87.8 | Confident | 157 Ų | 157 | 89.1 Ų | 89.1 | 73% | 0.734 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 133.4 | 172.2 | -62.2 | 173.4 | -6.4 | 0 | 0 | 106.6 | V93 | V93-Q95 PolarHBondContact O-N 3.01Å; V93-Q95 VanDerWaalsContact O-N 3.11Å |
| 96 | Y | 81.7 | Confident | 88.1 | Confident | 222 Ų | 222 | 92.3 Ų | 92.3 | 87% | 0.871 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 37.1 | -176.7 | -37.1 | -71.4 | 0 | 0 | 0 | 117.8 | ||
| 97 | L | 83.5 | Confident | 88.4 | Confident | 63 Ų | 63 | 96.2 Ų | 96.2 | 33% | 0.33 | 50% | 0.497 | S | S | . | . | trans | -73.4 | 127.1 | 168.1 | -83 | 151.2 | 0 | 0 | 0 | 111.5 | Y75 V93 T94 | Y75-L97 HydrophobicContact CD2-CD2 3.66Å; Y75-L97 HydrophobicContact CE2-CD2 4.31Å; V93-L97 HydrophobicContact CG1-CD1 4.05Å; T94-L97 HydrophobicContact CG2-CG 4.47Å; T94-L97 WeakPolarHBondContact O-CD1 3.48Å | ||
| 98 | P | 87.1 | Confident | 88.7 | Confident | 97 Ų | 97 | 91.7 Ų | 91.7 | 63% | 0.63 | 48% | 0.478 | S | S | * | . | trans | -64.9 | 161.8 | 169.4 | 28.5 | -34 | 0 | 0 | 0 | 110.5 | V100 | P98-V100 WeakPolarHBondContact O-CG2 3.14Å; P98-V100 PolarHBondContact O-N 3.24Å | ||
| 99 | S | 86.9 | Confident | 89 | Confident | 131 Ų | 131 | 88.9 Ų | 88.9 | 92% | 0.916 | 46% | 0.459 | S | S | * | . | trans | -61 | 113 | 171.4 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 100 | V | 87.8 | Confident | 89.2 | Confident | 41 Ų | 41 | 88.5 Ų | 88.5 | 25% | 0.248 | 46% | 0.459 | C | S | . | . | trans | -97.2 | 132.1 | -173 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | Y75 P98 Y104 | Y75-V100 HydrophobicContact CD2-CG2 4.29Å; Y75-V100 HydrophobicContact CE2-CB 4.31Å; Y75-V100 HydrophobicContact CE2-CG1 4.04Å; Y75-V100 HydrophobicContact CE2-CG2 3.89Å; P98-V100 WeakPolarHBondContact O-CG2 3.14Å; P98-V100 PolarHBondContact O-N 3.24Å; V100-Y104 HydrophobicContact CG1-CD1 3.2Å; V100-Y104 HydrophobicContact CG1-CE1 4.06Å; V100-Y104 HydrophobicContact CG1-CG 3.74Å | ||
| 101 | T | 94 | Very high | 89.5 | Confident | 95 Ų | 95 | 87.3 Ų | 87.3 | 58% | 0.583 | 45% | 0.448 | S | S | * | . | trans | -69.8 | 150.2 | 174.4 | 62.8 | 0 | 0 | 0 | 0 | 112.1 | N103 Y104 C105 | T101-N103 PolarHBondContact O-N 3.1Å; T101-N103 VanDerWaalsContact O-N 3.13Å; T101-Y104 PolarHBondContact O-N 3.26Å; T101-C105 PolarHBondContact O-N 3.21Å; T101-C105 VanDerWaalsContact O-N 3.09Å; T101-C105 PolarHBondContact O-SG 3.35Å; T101-C105 VanDerWaalsContact O-SG 3.42Å | ||
| 102 | D | 92.3 | Very high | 89.7 | Confident | 114 Ų | 114 | 84.8 Ų | 84.8 | 61% | 0.61 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -55.2 | -33.6 | 176.8 | -79.3 | -6.9 | 0 | 0 | 0 | 113.6 | C105 R106 | D102-C105 WeakPolarHBondContact O-CB 3.21Å; D102-C105 PolarHBondContact O-N 3.39Å; D102-R106 WeakPolarHBondContact O-CB 3.29Å; D102-R106 VanDerWaalsContact O-CG 3.26Å; D102-R106 WeakPolarHBondContact O-CG 3.43Å; D102-R106 PolarHBondContact O-N 2.99Å |
| 103 | N | 93.5 | Very high | 90 | Very high | 115 Ų | 115 | 82.5 Ų | 82.5 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.5 | -41.4 | 178 | -75.1 | -16 | 0 | 0 | 0 | 111.8 | T101 R106 Y107 | T101-N103 PolarHBondContact O-N 3.1Å; T101-N103 VanDerWaalsContact O-N 3.13Å; N103-R106 PolarHBondContact O-N 3.45Å; N103-Y107 WeakPolarHBondContact O-CB 3.44Å; N103-Y107 PolarHBondContact O-N 3.02Å |
| 104 | Y | 93.3 | Very high | 90.3 | Very high | 104 Ų | 104 | 81.7 Ų | 81.7 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 174.4 | -176.3 | -84.6 | 0 | 0 | 0 | 111 | Y75 V100 T101 R106 Y107 M108 | Y75-Y104 HydrophobicContact CD1-CE1 4Å; Y75-Y104 AromaticContact CD2-CE1 3.9Å; Y75-Y104 HydrophobicContact CD2-CE1 3.9Å; Y75-Y104 HydrophobicContact CE1-CE1 4.36Å; Y75-Y104 HydrophobicContact CE2-CD1 4.42Å; Y75-Y104 HydrophobicContact CE2-CE1 4.24Å; Y75-Y104 AromaticContact CG-CE1 3.76Å; Y75-Y104 HydrophobicContact CG-CE1 3.76Å; V100-Y104 HydrophobicContact CG1-CD1 3.2Å; V100-Y104 HydrophobicContact CG1-CE1 4.06Å; V100-Y104 HydrophobicContact CG1-CG 3.74Å; T101-Y104 PolarHBondContact O-N 3.26Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 2.94Å; Y104-Y107 PolarHBondContact O-N 3.47Å; Y104-Y107 VanDerWaalsContact O-N 3.15Å; Y104-M108 HydrophobicContact CD1-CG 3.74Å; Y104-M108 HydrophobicContact CE1-CG 3.39Å; Y104-M108 HydrophobicContact CE1-SD 4.26Å; Y104-M108 HydrophobicContact CE2-CG 4.3Å; Y104-M108 HydrophobicContact CE2-SD 4.38Å; Y104-M108 HydrophobicContact CG-CG 4.39Å; Y104-M108 WeakPolarHBondContact O-CG 3.48Å; Y104-M108 PolarHBondContact O-N 3.15Å |
| 105 | C | 91.2 | Very high | 90.6 | Very high | 18 Ų | 18 | 82 Ų | 82 | 12% | 0.122 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -54.4 | -46.4 | 174 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | Y75 T101 D102 T109 | Y75-C105 WeakPolarHBondContact OH-CB 3.34Å; Y75-C105 PolarHBondContact OH-SG 3.46Å; T101-C105 PolarHBondContact O-N 3.21Å; T101-C105 VanDerWaalsContact O-N 3.09Å; T101-C105 PolarHBondContact O-SG 3.35Å; T101-C105 VanDerWaalsContact O-SG 3.42Å; D102-C105 WeakPolarHBondContact O-CB 3.21Å; D102-C105 PolarHBondContact O-N 3.39Å; C105-T109 WeakPolarHBondContact O-CB 3.39Å; C105-T109 PolarHBondContact O-N 3.33Å; C105-T109 PolarHBondContact O-OG1 3.42Å |
| 106 | R | 92.2 | Very high | 91.5 | Very high | 161 Ų | 161 | 74.5 Ų | 74.5 | 61% | 0.608 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.2 | -39.5 | 177.8 | -73.2 | 171.1 | -176.2 | 172.9 | 2.8 | 112.5 | D102 N103 Y104 G110 | D102-R106 WeakPolarHBondContact O-CB 3.29Å; D102-R106 VanDerWaalsContact O-CG 3.26Å; D102-R106 WeakPolarHBondContact O-CG 3.43Å; D102-R106 PolarHBondContact O-N 2.99Å; N103-R106 PolarHBondContact O-N 3.45Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 2.94Å; R106-G110 PolarHBondContact O-N 3.02Å |
| 107 | Y | 93.6 | Very high | 92.1 | Very high | 131 Ų | 131 | 66 Ų | 66 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.3 | -53.6 | 176.8 | 178.4 | -96.8 | 0 | 0 | 0 | 110.6 | N103 Y104 T109 G110 E111 | N103-Y107 WeakPolarHBondContact O-CB 3.44Å; N103-Y107 PolarHBondContact O-N 3.02Å; Y104-Y107 PolarHBondContact O-N 3.47Å; Y104-Y107 VanDerWaalsContact O-N 3.15Å; Y107-T109 VanDerWaalsContact C-N 3.35Å; Y107-T109 PolarHBondContact O-N 3.33Å; Y107-G110 CarbonylContact O-C 3.48Å; Y107-G110 VanDerWaalsContact O-CA 3.26Å; Y107-G110 WeakPolarHBondContact O-CA 3.44Å; Y107-G110 PolarHBondContact O-N 2.85Å; Y107-E111 HydrophobicContact CD1-CG 4.23Å; Y107-E111 HydrophobicContact CE1-CG 3.85Å; Y107-E111 PolarHBondContact O-N 3.16Å; Y107-E111 PolarHBondContact OH-OE1 3.01Å |
| 108 | M | 93.5 | Very high | 92.5 | Very high | 31 Ų | 31 | 71.7 Ų | 71.7 | 15% | 0.153 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | -179.4 | -66.5 | -55.1 | -69.1 | 0 | 0 | 112.5 | Y75 Y104 G110 E111 V112 | Y75-M108 HydrophobicContact CD1-CB 3.55Å; Y75-M108 HydrophobicContact CD1-CE 4.35Å; Y75-M108 HydrophobicContact CD1-CG 3.6Å; Y75-M108 HydrophobicContact CE1-CB 3.66Å; Y75-M108 HydrophobicContact CE1-CG 3.99Å; Y75-M108 HydrophobicContact CG-CG 4.37Å; Y104-M108 HydrophobicContact CD1-CG 3.74Å; Y104-M108 HydrophobicContact CE1-CG 3.39Å; Y104-M108 HydrophobicContact CE1-SD 4.26Å; Y104-M108 HydrophobicContact CE2-CG 4.3Å; Y104-M108 HydrophobicContact CE2-SD 4.38Å; Y104-M108 HydrophobicContact CG-CG 4.39Å; Y104-M108 WeakPolarHBondContact O-CG 3.48Å; Y104-M108 PolarHBondContact O-N 3.15Å; M108-G110 VanDerWaalsContact C-N 3.26Å; M108-G110 PolarHBondContact O-N 3.11Å; M108-E111 WeakPolarHBondContact O-CB 3.45Å; M108-E111 PolarHBondContact O-N 3.28Å; M108-V112 PolarHBondContact O-N 3.16Å |
| 109 | T | 92.8 | Very high | 92.7 | Very high | 33 Ų | 33 | 74 Ų | 74 | 20% | 0.202 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 172 | -52.8 | 0 | 0 | 0 | 0 | 111 | V71 C105 Y107 E111 V112 I113 | V71-T109 HydrophobicContact CB-CG2 4.09Å; V71-T109 HydrophobicContact CG1-CG2 3.63Å; C105-T109 WeakPolarHBondContact O-CB 3.39Å; C105-T109 PolarHBondContact O-N 3.33Å; C105-T109 PolarHBondContact O-OG1 3.42Å; Y107-T109 VanDerWaalsContact C-N 3.35Å; Y107-T109 PolarHBondContact O-N 3.33Å; T109-E111 VanDerWaalsContact C-N 3.34Å; T109-V112 PolarHBondContact O-N 2.9Å; T109-I113 HydrophobicContact CG2-CD1 4.08Å; T109-I113 WeakPolarHBondContact O-CD1 3.27Å; T109-I113 WeakPolarHBondContact O-CG1 3.11Å; T109-I113 PolarHBondContact O-N 3.25Å; T109-I113 VanDerWaalsContact O-N 3.15Å |
| 110 | G | 93.6 | Very high | 93 | Very high | 13 Ų | 13 | 67.9 Ų | 67.9 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.4 | -32.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R106 Y107 M108 I113 R114 | R106-G110 PolarHBondContact O-N 3.02Å; Y107-G110 CarbonylContact O-C 3.48Å; Y107-G110 VanDerWaalsContact O-CA 3.26Å; Y107-G110 WeakPolarHBondContact O-CA 3.44Å; Y107-G110 PolarHBondContact O-N 2.85Å; M108-G110 VanDerWaalsContact C-N 3.26Å; M108-G110 PolarHBondContact O-N 3.11Å; G110-I113 PolarHBondContact O-N 2.91Å; G110-R114 WeakPolarHBondContact O-CB 3.44Å; G110-R114 PolarHBondContact O-N 3.43Å |
| 111 | E | 93.8 | Very high | 93.2 | Very high | 58 Ų | 58 | 67.1 Ų | 67.1 | 27% | 0.271 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 172.7 | -65.9 | -57.8 | 112.9 | 0 | 0 | 111.1 | Y107 M108 T109 I113 R114 D115 | Y107-E111 HydrophobicContact CD1-CG 4.23Å; Y107-E111 HydrophobicContact CE1-CG 3.85Å; Y107-E111 PolarHBondContact O-N 3.16Å; Y107-E111 PolarHBondContact OH-OE1 3.01Å; M108-E111 WeakPolarHBondContact O-CB 3.45Å; M108-E111 PolarHBondContact O-N 3.28Å; T109-E111 VanDerWaalsContact C-N 3.34Å; E111-I113 VanDerWaalsContact C-N 3.29Å; E111-I113 PolarHBondContact O-N 2.92Å; E111-R114 WeakPolarHBondContact O-CB 3.5Å; E111-R114 PolarHBondContact O-N 3.39Å; E111-R114 IonicContact OE1-CZ 3.5Å; E111-R114 IonicContact OE1-NH1 2.72Å; E111-R114 PolarHBondContact OE1-NH1 3.25Å; E111-R114 IonicContact OE1-NH2 3.8Å; E111-R114 PolarHBondContact OE1-NH2 3.31Å; E111-R114 IonicContact OE2-CZ 3.72Å; E111-R114 IonicContact OE2-NH1 3.13Å; E111-R114 PolarHBondContact OE2-NH1 3.11Å; E111-D115 PolarHBondContact O-N 3Å |
| 112 | V | 94.2 | Very high | 93 | Very high | 6 Ų | 6 | 66.4 Ų | 66.4 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 177.2 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | V71 M108 T109 R114 D115 F116 F143 P144 | V71-V112 HydrophobicContact CG1-CB 4.11Å; V71-V112 HydrophobicContact CG1-CG1 3.95Å; M108-V112 PolarHBondContact O-N 3.16Å; T109-V112 PolarHBondContact O-N 2.9Å; V112-R114 VanDerWaalsContact C-N 3.32Å; V112-R114 PolarHBondContact O-N 2.99Å; V112-D115 PolarHBondContact O-N 3.35Å; V112-F116 WeakPolarHBondContact O-CB 3.48Å; V112-F116 PolarHBondContact O-N 3.39Å; V112-F143 HydrophobicContact CG1-CD1 4.34Å; V112-P144 HydrophobicContact CG1-CG 4.11Å; V112-P144 HydrophobicContact CG2-CG 4.02Å |
| 113 | I | 94.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.2 | -32.7 | 177.5 | -66.9 | 157.2 | 0 | 0 | 0 | 112 | N57 C60 K61 V71 T109 G110 E111 K117 | N57-I113 HydrophobicContact CB-CG2 4.3Å; C60-I113 HydrophobicContact CB-CG2 3.82Å; K61-I113 HydrophobicContact CD-CD1 3.84Å; K61-I113 HydrophobicContact CG-CD1 3.36Å; K61-I113 HydrophobicContact CG-CG1 4.35Å; V71-I113 HydrophobicContact CG1-CG1 4.21Å; T109-I113 HydrophobicContact CG2-CD1 4.08Å; T109-I113 WeakPolarHBondContact O-CD1 3.27Å; T109-I113 WeakPolarHBondContact O-CG1 3.11Å; T109-I113 PolarHBondContact O-N 3.25Å; T109-I113 VanDerWaalsContact O-N 3.15Å; G110-I113 PolarHBondContact O-N 2.91Å; E111-I113 VanDerWaalsContact C-N 3.29Å; E111-I113 PolarHBondContact O-N 2.92Å; I113-K117 VanDerWaalsContact O-CB 3.27Å; I113-K117 WeakPolarHBondContact O-CB 3.42Å; I113-K117 PolarHBondContact O-N 2.9Å |
| 114 | R | 93.6 | Very high | 92.4 | Very high | 77 Ų | 77 | 60.1 Ų | 60.1 | 29% | 0.291 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 176.7 | -165.4 | -174.1 | -55.1 | 93 | -6.4 | 110.8 | G110 E111 V112 K117 K118 | G110-R114 WeakPolarHBondContact O-CB 3.44Å; G110-R114 PolarHBondContact O-N 3.43Å; E111-R114 WeakPolarHBondContact O-CB 3.5Å; E111-R114 PolarHBondContact O-N 3.39Å; E111-R114 IonicContact OE1-CZ 3.5Å; E111-R114 IonicContact OE1-NH1 2.72Å; E111-R114 PolarHBondContact OE1-NH1 3.25Å; E111-R114 IonicContact OE1-NH2 3.8Å; E111-R114 PolarHBondContact OE1-NH2 3.31Å; E111-R114 IonicContact OE2-CZ 3.72Å; E111-R114 IonicContact OE2-NH1 3.13Å; E111-R114 PolarHBondContact OE2-NH1 3.11Å; V112-R114 VanDerWaalsContact C-N 3.32Å; V112-R114 PolarHBondContact O-N 2.99Å; R114-K117 PolarHBondContact O-N 3.32Å; R114-K118 PolarHBondContact O-N 2.98Å |
| 115 | D | 94.5 | Very high | 91.9 | Very high | 52 Ų | 52 | 62.2 Ų | 62.2 | 28% | 0.278 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 173.9 | -177.4 | 67.1 | 0 | 0 | 0 | 111.3 | E111 V112 K117 K118 R119 Y141 | E111-D115 PolarHBondContact O-N 3Å; V112-D115 PolarHBondContact O-N 3.35Å; D115-K117 VanDerWaalsContact C-N 3.33Å; D115-K117 PolarHBondContact O-N 3.37Å; D115-K118 WeakPolarHBondContact O-CB 3.34Å; D115-K118 PolarHBondContact O-N 3.4Å; D115-R119 PolarHBondContact O-N 3.46Å; D115-R119 IonicContact OD1-CZ 3.87Å; D115-R119 IonicContact OD1-NE 3.6Å; D115-R119 IonicContact OD2-CZ 3.58Å; D115-R119 IonicContact OD2-NE 3.77Å; D115-R119 IonicContact OD2-NH1 3.71Å; D115-R119 PolarHBondContact OD2-NH1 3.28Å; D115-Y141 WeakPolarHBondContact OD2-CE2 3.26Å; D115-Y141 PolarHBondContact OD2-OH 2.68Å |
| 116 | F | 94.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 67 Ų | 67 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -51.8 | -51.1 | 172.8 | 176 | -101.4 | 0 | 0 | 0 | 111.6 | C60 L63 L64 V112 K118 R119 V120 Y141 F143 F151 | C60-F116 HydrophobicContact CB-CD1 4.06Å; C60-F116 HydrophobicContact CB-CE1 4.15Å; L63-F116 HydrophobicContact CD2-CZ 4.49Å; L64-F116 HydrophobicContact CD1-CD1 4.46Å; L64-F116 HydrophobicContact CD2-CE2 4.2Å; L64-F116 HydrophobicContact CD2-CZ 4.13Å; V112-F116 WeakPolarHBondContact O-CB 3.48Å; V112-F116 PolarHBondContact O-N 3.39Å; F116-K118 VanDerWaalsContact C-N 3.26Å; F116-K118 PolarHBondContact O-N 3.15Å; F116-R119 PolarHBondContact O-N 3.3Å; F116-V120 HydrophobicContact CD2-CB 4.04Å; F116-V120 HydrophobicContact CD2-CG1 4.4Å; F116-V120 HydrophobicContact CD2-CG2 3.7Å; F116-V120 HydrophobicContact CE1-CB 4.45Å; F116-V120 HydrophobicContact CE1-CG1 4.34Å; F116-V120 HydrophobicContact CE2-CB 3.76Å; F116-V120 HydrophobicContact CE2-CG1 3.62Å; F116-V120 HydrophobicContact CE2-CG2 3.64Å; F116-V120 HydrophobicContact CG-CG2 4.48Å; F116-V120 HydrophobicContact CZ-CB 3.98Å; F116-V120 HydrophobicContact CZ-CG1 3.58Å; F116-V120 HydrophobicContact CZ-CG2 4.37Å; F116-V120 VanDerWaalsContact O-CB 3.26Å; F116-V120 WeakPolarHBondContact O-CB 3.44Å; F116-V120 PolarHBondContact O-N 2.85Å; F116-Y141 HydrophobicContact CB-CE1 4.27Å; F116-Y141 HydrophobicContact CB-CE2 4.39Å; F116-Y141 AromaticContact CD2-CD1 3.78Å; F116-Y141 HydrophobicContact CD2-CD1 3.78Å; F116-Y141 HydrophobicContact CD2-CD2 4.34Å; F116-Y141 AromaticContact CD2-CE1 3.89Å; F116-Y141 HydrophobicContact CD2-CE1 3.89Å; F116-Y141 HydrophobicContact CD2-CE2 4.43Å; F116-Y141 HydrophobicContact CD2-CG 4.02Å; F116-Y141 HydrophobicContact CE2-CD1 4.41Å; F116-Y141 PolarHBondContact N-OH 2.88Å; F116-F143 HydrophobicContact CD2-CE1 4.44Å; F116-F143 HydrophobicContact CD2-CZ 4.25Å; F116-F143 HydrophobicContact CE2-CZ 4.4Å; F116-F151 HydrophobicContact CE2-CD1 4.47Å; F116-F151 HydrophobicContact CE2-CD2 4.09Å; F116-F151 HydrophobicContact CE2-CE1 4.03Å; F116-F151 AromaticContact CE2-CE2 3.63Å; F116-F151 HydrophobicContact CE2-CE2 3.63Å; F116-F151 HydrophobicContact CE2-CG 4.5Å; F116-F151 AromaticContact CE2-CZ 3.58Å; F116-F151 HydrophobicContact CE2-CZ 3.58Å; F116-F151 HydrophobicContact CZ-CD1 4.31Å; F116-F151 AromaticContact CZ-CE1 3.98Å; F116-F151 HydrophobicContact CZ-CE1 3.98Å; F116-F151 HydrophobicContact CZ-CE2 4.37Å; F116-F151 HydrophobicContact CZ-CZ 4Å |
| 117 | K | 93.2 | Very high | 90.9 | Very high | 43 Ų | 43 | 63 Ų | 63 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -35.8 | 177.9 | -176.7 | 179.4 | 67.1 | -173.5 | 0 | 112.8 | L56 N57 I113 R114 D115 V121 | L56-K117 HydrophobicContact CB-CD 3.75Å; L56-K117 HydrophobicContact CD1-CD 3.92Å; N57-K117 PolarHBondContact OD1-NZ 2.9Å; I113-K117 VanDerWaalsContact O-CB 3.27Å; I113-K117 WeakPolarHBondContact O-CB 3.42Å; I113-K117 PolarHBondContact O-N 2.9Å; R114-K117 PolarHBondContact O-N 3.32Å; D115-K117 VanDerWaalsContact C-N 3.33Å; D115-K117 PolarHBondContact O-N 3.37Å; K117-V121 HydrophobicContact CB-CG2 4.39Å; K117-V121 HydrophobicContact CG-CB 4.1Å; K117-V121 HydrophobicContact CG-CG2 4.12Å; K117-V121 WeakPolarHBondContact O-CB 3.5Å; K117-V121 PolarHBondContact O-N 3.36Å |
| 118 | K | 92.5 | Very high | 89.9 | Confident | 182 Ų | 182 | 59.4 Ų | 59.4 | 79% | 0.791 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -70.3 | -35.2 | 179.6 | -176.2 | -178.1 | 174.7 | -173.4 | 0 | 112.2 | R114 D115 F116 | R114-K118 PolarHBondContact O-N 2.98Å; D115-K118 WeakPolarHBondContact O-CB 3.34Å; D115-K118 PolarHBondContact O-N 3.4Å; F116-K118 VanDerWaalsContact C-N 3.26Å; F116-K118 PolarHBondContact O-N 3.15Å |
| 119 | R | 92.6 | Very high | 89 | Confident | 147 Ų | 147 | 62.4 Ų | 62.4 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -94.4 | -27 | -175 | -67.8 | -172.4 | -178.2 | 163.1 | -5.6 | 114.4 | D115 F116 Y141 | D115-R119 PolarHBondContact O-N 3.46Å; D115-R119 IonicContact OD1-CZ 3.87Å; D115-R119 IonicContact OD1-NE 3.6Å; D115-R119 IonicContact OD2-CZ 3.58Å; D115-R119 IonicContact OD2-NE 3.77Å; D115-R119 IonicContact OD2-NH1 3.71Å; D115-R119 PolarHBondContact OD2-NH1 3.28Å; F116-R119 PolarHBondContact O-N 3.3Å; R119-Y141 HydrophobicContact CB-CD2 4.05Å; R119-Y141 HydrophobicContact CB-CE2 4.15Å; R119-Y141 HydrophobicContact CG-CE2 4.45Å |
| 120 | V | 92.7 | Very high | 88.1 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -115.5 | -32.8 | -166.7 | 179.6 | 0 | 0 | 0 | 0 | 112.5 | F116 Y141 F151 R155 | F116-V120 HydrophobicContact CD2-CB 4.04Å; F116-V120 HydrophobicContact CD2-CG1 4.4Å; F116-V120 HydrophobicContact CD2-CG2 3.7Å; F116-V120 HydrophobicContact CE1-CB 4.45Å; F116-V120 HydrophobicContact CE1-CG1 4.34Å; F116-V120 HydrophobicContact CE2-CB 3.76Å; F116-V120 HydrophobicContact CE2-CG1 3.62Å; F116-V120 HydrophobicContact CE2-CG2 3.64Å; F116-V120 HydrophobicContact CG-CG2 4.48Å; F116-V120 HydrophobicContact CZ-CB 3.98Å; F116-V120 HydrophobicContact CZ-CG1 3.58Å; F116-V120 HydrophobicContact CZ-CG2 4.37Å; F116-V120 VanDerWaalsContact O-CB 3.26Å; F116-V120 WeakPolarHBondContact O-CB 3.44Å; F116-V120 PolarHBondContact O-N 2.85Å; V120-Y141 HydrophobicContact CG2-CD2 3.62Å; V120-Y141 HydrophobicContact CG2-CE2 4.49Å; V120-Y141 HydrophobicContact CG2-CG 3.79Å; V120-F151 HydrophobicContact CG1-CB 3.85Å; V120-F151 HydrophobicContact CG1-CD1 4.46Å; V120-F151 HydrophobicContact CG1-CD2 4.03Å; V120-F151 HydrophobicContact CG1-CG 3.85Å; V120-F151 HydrophobicContact CG2-CD2 4.49Å; V120-R155 HydrophobicContact CG1-CG 3.53Å; V120-R155 WeakPolarHBondContact O-CB 3.49Å; V120-R155 WeakPolarHBondContact O-CD 3.38Å; V120-R155 WeakPolarHBondContact O-CG 3.39Å |
| 121 | V | 92 | Very high | 87.2 | Confident | 25 Ų | 25 | 67.3 Ų | 67.3 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | trans | -88 | 120.6 | -175 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | K117 V158 A159 | K117-V121 HydrophobicContact CB-CG2 4.39Å; K117-V121 HydrophobicContact CG-CB 4.1Å; K117-V121 HydrophobicContact CG-CG2 4.12Å; K117-V121 WeakPolarHBondContact O-CB 3.5Å; K117-V121 PolarHBondContact O-N 3.36Å; V121-V158 HydrophobicContact CG1-CB 4.24Å; V121-V158 HydrophobicContact CG1-CG1 4.11Å; V121-V158 HydrophobicContact CG2-CB 4.24Å; V121-V158 HydrophobicContact CG2-CG1 4Å; V121-A159 HydrophobicContact CG1-CB 3.87Å | ||
| 122 | E | 89.8 | Confident | 86.5 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 37% | 0.369 | 36% | 0.357 | S | S | . | . | trans | -131 | 156.1 | -179.6 | -67 | 177.2 | 178.1 | 0 | 0 | 109.8 | Y156 A159 | E122-Y156 HydrophobicContact CB-CD1 4.17Å; E122-Y156 HydrophobicContact CB-CE1 3.77Å; E122-Y156 WeakPolarHBondContact O-CA 3.38Å; E122-Y156 WeakPolarHBondContact O-CD1 3.43Å; E122-A159 WeakPolarHBondContact O-CB 3.35Å | ||
| 123 | V | 87.3 | Confident | 85.7 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | trans | -101.7 | 130.7 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 106.9 | A159 F163 | V123-A159 HydrophobicContact CB-CB 4.45Å; V123-A159 HydrophobicContact CG2-CB 3.67Å; V123-F163 HydrophobicContact CG1-CE2 3.8Å; V123-F163 HydrophobicContact CG1-CZ 4.32Å; V123-F163 HydrophobicContact CG2-CE2 4.11Å | ||
| 124 | S | 84.6 | Confident | 85.1 | Confident | 16 Ų | 16 | 82 Ų | 82 | 11% | 0.112 | 43% | 0.426 | C | S | . | . | trans | -77.6 | 146.1 | 175.3 | 57 | 0 | 0 | 0 | 0 | 110.1 | E126 M131 | S124-E126 VanDerWaalsContact C-N 3.31Å; S124-E126 VanDerWaalsContact CB-O 3.29Å; S124-E126 WeakPolarHBondContact CB-O 3.37Å; S124-E126 PolarHBondContact OG-O 3.09Å; S124-M131 VanDerWaalsContact CB-CE 3.42Å; S124-M131 WeakPolarHBondContact OG-CE 3.42Å | ||
| 125 | T | 84.1 | Confident | 84.6 | Confident | 148 Ų | 148 | 84.5 Ų | 84.5 | 91% | 0.908 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -77.1 | -26 | 169.7 | 45.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 126 | E | 82.1 | Confident | 84.2 | Confident | 119 Ų | 119 | 82.9 Ų | 82.9 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -104 | 152 | -179.1 | -66.2 | 179.7 | -175.5 | 0 | 0 | 111.2 | S124 M128 | S124-E126 VanDerWaalsContact C-N 3.31Å; S124-E126 VanDerWaalsContact CB-O 3.29Å; S124-E126 WeakPolarHBondContact CB-O 3.37Å; S124-E126 PolarHBondContact OG-O 3.09Å; E126-M128 PolarHBondContact O-N 3.03Å |
| 127 | P | 79.2 | Confident | 83.9 | Confident | 75 Ų | 75 | 90.9 Ų | 90.9 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | trans | -61.6 | 133.6 | 176.2 | 27.2 | -35.8 | 0 | 0 | 0 | 111 | A129 D130 | P127-A129 PolarHBondContact O-N 3.13Å; P127-D130 HydrophobicContact CG-CB 4.33Å; P127-D130 WeakPolarHBondContact CG-OD2 3.44Å; P127-D130 PolarHBondContact O-N 3.02Å | ||
| 128 | M | 73.7 | Confident | 83.8 | Confident | 56 Ų | 56 | 94.6 Ų | 94.6 | 28% | 0.276 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -59.9 | -22.6 | -176.7 | -168 | -172.4 | 176.5 | 0 | 0 | 114.2 | E126 D130 M131 I153 R157 E160 | E126-M128 PolarHBondContact O-N 3.03Å; M128-D130 VanDerWaalsContact C-N 3.25Å; M128-D130 PolarHBondContact O-N 3.07Å; M128-M131 HydrophobicContact CB-CE 4.1Å; M128-M131 HydrophobicContact CG-CE 4.12Å; M128-M131 PolarHBondContact O-N 2.9Å; M128-I153 HydrophobicContact CE-CD1 4.11Å; M128-I153 HydrophobicContact CE-CG1 3.79Å; M128-R157 HydrophobicContact CE-CB 3.75Å; M128-R157 HydrophobicContact CE-CG 4.15Å; M128-R157 HydrophobicContact SD-CB 4.13Å; M128-R157 HydrophobicContact SD-CG 4.35Å; M128-E160 HydrophobicContact CB-CG 4.49Å |
| 129 | A | 74.3 | Confident | 83.8 | Confident | 95 Ų | 95 | 88.7 Ų | 88.7 | 79% | 0.785 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -65.4 | -29.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | P127 | P127-A129 PolarHBondContact O-N 3.13Š|
| 130 | D | 73 | Confident | 83.8 | Confident | 119 Ų | 119 | 85.6 Ų | 85.6 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -94.8 | -6.1 | -174.6 | -60.4 | -25.7 | 0 | 0 | 0 | 112.3 | P127 M128 P132 | P127-D130 HydrophobicContact CG-CB 4.33Å; P127-D130 WeakPolarHBondContact CG-OD2 3.44Å; P127-D130 PolarHBondContact O-N 3.02Å; M128-D130 VanDerWaalsContact C-N 3.25Å; M128-D130 PolarHBondContact O-N 3.07Å; D130-P132 WeakPolarHBondContact O-CD 3.26Å |
| 131 | M | 76.1 | Confident | 83.8 | Confident | 30 Ų | 30 | 85.8 Ų | 85.8 | 15% | 0.148 | 47% | 0.469 | C | S | . | . | trans | -87 | 107.5 | 178.3 | -70.5 | -167.8 | -73.8 | 0 | 0 | 110.9 | S124 M128 Y156 | S124-M131 VanDerWaalsContact CB-CE 3.42Å; S124-M131 WeakPolarHBondContact OG-CE 3.42Å; M128-M131 HydrophobicContact CB-CE 4.1Å; M128-M131 HydrophobicContact CG-CE 4.12Å; M128-M131 PolarHBondContact O-N 2.9Å; M131-Y156 HydrophobicContact CE-CD2 3.95Å; M131-Y156 HydrophobicContact CE-CG 4.14Å; M131-Y156 HydrophobicContact SD-CD2 4.41Å; M131-Y156 HydrophobicContact SD-CE2 4.46Å | ||
| 132 | P | 77.4 | Confident | 83.8 | Confident | 64 Ų | 64 | 89.1 Ų | 89.1 | 42% | 0.416 | 48% | 0.483 | S | S | . | . | trans | -65.1 | 140.9 | 171.7 | 29.1 | -34.8 | 0 | 0 | 0 | 109.7 | D130 D134 D135 | D130-P132 WeakPolarHBondContact O-CD 3.26Å; P132-D134 PolarHBondContact O-N 3.26Å; P132-D135 HydrophobicContact CG-CB 3.87Å; P132-D135 VanDerWaalsContact CG-CG 3.45Å; P132-D135 WeakPolarHBondContact CG-OD2 3.45Å; P132-D135 PolarHBondContact O-N 2.71Å | ||
| 133 | K | 79.1 | Confident | 84 | Confident | 156 Ų | 156 | 85.7 Ų | 85.7 | 68% | 0.678 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.7 | -176.4 | -67.2 | -177.7 | -179.2 | 170.5 | 0 | 113.1 | I153 | K133-I153 HydrophobicContact CG-CD1 4.05Å; K133-I153 HydrophobicContact CG-CG2 4.23Å |
| 134 | D | 80.7 | Confident | 84.1 | Confident | 153 Ų | 153 | 84 Ų | 84 | 82% | 0.818 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -23.3 | -172.2 | -57.6 | -34.2 | 0 | 0 | 0 | 112.5 | P132 V136 | P132-D134 PolarHBondContact O-N 3.26Å; D134-V136 VanDerWaalsContact C-N 3.32Å |
| 135 | D | 83.9 | Confident | 84.3 | Confident | 130 Ų | 130 | 83.3 Ų | 83.3 | 70% | 0.695 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -13.6 | 177.9 | -65.8 | -5.6 | 0 | 0 | 0 | 112.2 | P132 E137 | P132-D135 HydrophobicContact CG-CB 3.87Å; P132-D135 VanDerWaalsContact CG-CG 3.45Å; P132-D135 WeakPolarHBondContact CG-OD2 3.45Å; P132-D135 PolarHBondContact O-N 2.71Å; D135-E137 PolarHBondContact O-N 3.01Å |
| 136 | V | 85.4 | Confident | 84.5 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -86 | 105.5 | -177.3 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | D134 E138 R155 Y156 | D134-V136 VanDerWaalsContact C-N 3.32Å; V136-E138 PolarHBondContact O-N 2.83Å; V136-R155 VanDerWaalsContact CG1-NH2 3.31Å; V136-Y156 HydrophobicContact CG1-CE2 3.77Å |
| 137 | E | 88.3 | Confident | 84.8 | Confident | 169 Ų | 169 | 70.8 Ų | 70.8 | 79% | 0.79 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 120 | 176.2 | -66.7 | -175.6 | 176.2 | 0 | 0 | 112.5 | D135 I139 R155 | D135-E137 PolarHBondContact O-N 3.01Å; E137-I139 PolarHBondContact O-N 3.49Å; E137-R155 PolarHBondContact O-NH2 3.49Å |
| 138 | E | 91 | Very high | 85.5 | Confident | 121 Ų | 121 | 68.7 Ų | 68.7 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -71 | 130.3 | 178.7 | -58.6 | -169.3 | 150.9 | 0 | 0 | 112.7 | V136 N150 F151 | V136-E138 PolarHBondContact O-N 2.83Å; E138-N150 HydrophobicContact CB-CB 4.06Å; E138-N150 WeakPolarHBondContact OE2-CB 3.25Å; E138-N150 PolarHBondContact OE2-ND2 3.48Å; E138-F151 WeakPolarHBondContact CA-O 3.4Å |
| 139 | I | 91.7 | Very high | 86.4 | Confident | 58 Ų | 58 | 67.5 Ų | 67.5 | 30% | 0.297 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.7 | 171.7 | -71.7 | 178.1 | 0 | 0 | 0 | 110.3 | E137 F151 | E137-I139 PolarHBondContact O-N 3.49Å; I139-F151 PolarHBondContact N-O 3.23Å; I139-F151 PolarHBondContact O-N 3.34Å |
| 140 | P | 92.7 | Very high | 87.2 | Confident | 81 Ų | 81 | 66.7 Ų | 66.7 | 53% | 0.526 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 129.1 | 171.1 | 29.9 | -32.6 | 0 | 0 | 0 | 110.6 | T148 N150 | P140-T148 HydrophobicContact CB-CG2 3.88Å; P140-N150 WeakPolarHBondContact CB-OD1 3.21Å |
| 141 | Y | 94.1 | Very high | 88.2 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.4 | 169.1 | 179.7 | -92.7 | 0 | 0 | 0 | 110.3 | D115 F116 R119 V120 F143 T148 H149 | D115-Y141 WeakPolarHBondContact OD2-CE2 3.26Å; D115-Y141 PolarHBondContact OD2-OH 2.68Å; F116-Y141 HydrophobicContact CB-CE1 4.27Å; F116-Y141 HydrophobicContact CB-CE2 4.39Å; F116-Y141 AromaticContact CD2-CD1 3.78Å; F116-Y141 HydrophobicContact CD2-CD1 3.78Å; F116-Y141 HydrophobicContact CD2-CD2 4.34Å; F116-Y141 AromaticContact CD2-CE1 3.89Å; F116-Y141 HydrophobicContact CD2-CE1 3.89Å; F116-Y141 HydrophobicContact CD2-CE2 4.43Å; F116-Y141 HydrophobicContact CD2-CG 4.02Å; F116-Y141 HydrophobicContact CE2-CD1 4.41Å; F116-Y141 PolarHBondContact N-OH 2.88Å; R119-Y141 HydrophobicContact CB-CD2 4.05Å; R119-Y141 HydrophobicContact CB-CE2 4.15Å; R119-Y141 HydrophobicContact CG-CE2 4.45Å; V120-Y141 HydrophobicContact CG2-CD2 3.62Å; V120-Y141 HydrophobicContact CG2-CE2 4.49Å; V120-Y141 HydrophobicContact CG2-CG 3.79Å; Y141-F143 HydrophobicContact CD1-CD1 4.13Å; Y141-F143 AromaticContact CD1-CD2 3.89Å; Y141-F143 HydrophobicContact CD1-CD2 3.89Å; Y141-F143 AromaticContact CD1-CE1 3.96Å; Y141-F143 HydrophobicContact CD1-CE1 3.96Å; Y141-F143 AromaticContact CD1-CE2 3.71Å; Y141-F143 HydrophobicContact CD1-CE2 3.71Å; Y141-F143 HydrophobicContact CD1-CG 4.08Å; Y141-F143 AromaticContact CD1-CZ 3.72Å; Y141-F143 HydrophobicContact CD1-CZ 3.72Å; Y141-F143 AromaticContact CE1-CD1 3.6Å; Y141-F143 HydrophobicContact CE1-CD1 3.6Å; Y141-F143 HydrophobicContact CE1-CD2 4.16Å; Y141-F143 AromaticContact CE1-CE1 3.63Å; Y141-F143 HydrophobicContact CE1-CE1 3.63Å; Y141-F143 HydrophobicContact CE1-CE2 4.19Å; Y141-F143 AromaticContact CE1-CG 3.85Å; Y141-F143 HydrophobicContact CE1-CG 3.85Å; Y141-F143 AromaticContact CE1-CZ 3.91Å; Y141-F143 HydrophobicContact CE1-CZ 3.91Å; Y141-T148 WeakPolarHBondContact O-CA 3.43Å; Y141-H149 PolarHBondContact N-O 2.81Å; Y141-H149 PolarHBondContact O-N 3.11Å |
| 142 | Q | 91.3 | Very high | 88.8 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.2 | 174.6 | -170.6 | 178.3 | 17.1 | 0 | 0 | 110.1 | ||
| 143 | F | 92.9 | Very high | 89.4 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | trans | -78 | 156.8 | 174 | -70.3 | -89.1 | 0 | 0 | 0 | 110.9 | L64 I69 V112 F116 Y141 A145 G146 N147 H149 F151 | L64-F143 HydrophobicContact CD1-CE1 4.32Å; L64-F143 HydrophobicContact CD2-CE1 4.08Å; L64-F143 HydrophobicContact CD2-CZ 3.58Å; I69-F143 HydrophobicContact CD1-CE2 4.34Å; I69-F143 HydrophobicContact CG2-CD2 4.15Å; I69-F143 HydrophobicContact CG2-CE1 4.28Å; I69-F143 HydrophobicContact CG2-CE2 3.72Å; I69-F143 HydrophobicContact CG2-CZ 3.81Å; V112-F143 HydrophobicContact CG1-CD1 4.34Å; F116-F143 HydrophobicContact CD2-CE1 4.44Å; F116-F143 HydrophobicContact CD2-CZ 4.25Å; F116-F143 HydrophobicContact CE2-CZ 4.4Å; Y141-F143 HydrophobicContact CD1-CD1 4.13Å; Y141-F143 AromaticContact CD1-CD2 3.89Å; Y141-F143 HydrophobicContact CD1-CD2 3.89Å; Y141-F143 AromaticContact CD1-CE1 3.96Å; Y141-F143 HydrophobicContact CD1-CE1 3.96Å; Y141-F143 AromaticContact CD1-CE2 3.71Å; Y141-F143 HydrophobicContact CD1-CE2 3.71Å; Y141-F143 HydrophobicContact CD1-CG 4.08Å; Y141-F143 AromaticContact CD1-CZ 3.72Å; Y141-F143 HydrophobicContact CD1-CZ 3.72Å; Y141-F143 AromaticContact CE1-CD1 3.6Å; Y141-F143 HydrophobicContact CE1-CD1 3.6Å; Y141-F143 HydrophobicContact CE1-CD2 4.16Å; Y141-F143 AromaticContact CE1-CE1 3.63Å; Y141-F143 HydrophobicContact CE1-CE1 3.63Å; Y141-F143 HydrophobicContact CE1-CE2 4.19Å; Y141-F143 AromaticContact CE1-CG 3.85Å; Y141-F143 HydrophobicContact CE1-CG 3.85Å; Y141-F143 AromaticContact CE1-CZ 3.91Å; Y141-F143 HydrophobicContact CE1-CZ 3.91Å; F143-A145 PolarHBondContact O-N 3.39Å; F143-G146 PolarHBondContact O-N 3.35Å; F143-N147 VanDerWaalsContact CB-OD1 3.27Å; F143-N147 WeakPolarHBondContact CB-OD1 3.16Å; F143-N147 WeakPolarHBondContact CD2-ND2 3.45Å; F143-N147 PolarHBondContact N-O 2.88Å; F143-H149 HydrophobicContact CE2-CB 4.38Å; F143-H149 AromaticContact CE2-CD2 3.83Å; F143-F151 HydrophobicContact CE2-CE2 4.4Å; F143-F151 HydrophobicContact CE2-CZ 4.36Å; F143-F151 HydrophobicContact CZ-CZ 4.26Å | ||
| 144 | P | 90.7 | Very high | 89.8 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -27.8 | 177.4 | -26.9 | 35.2 | 0 | 0 | 0 | 114.2 | I77 V112 G146 | I77-P144 HydrophobicContact CD1-CB 3.76Å; V112-P144 HydrophobicContact CG1-CG 4.11Å; V112-P144 HydrophobicContact CG2-CG 4.02Å; P144-G146 PolarHBondContact O-N 3.2Å |
| 145 | A | 88.8 | Confident | 90.2 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -4.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I72 I77 P89 F91 F143 | I72-A145 HydrophobicContact CD1-CB 4.09Å; I77-A145 HydrophobicContact CD1-CB 3.93Å; I77-A145 HydrophobicContact CG1-CB 4.43Å; P89-A145 HydrophobicContact CB-CB 3.5Å; P89-A145 HydrophobicContact CG-CB 4.11Å; F91-A145 HydrophobicContact CD1-CB 4.06Å; F143-A145 PolarHBondContact O-N 3.39Å |
| 146 | G | 87.7 | Confident | 90.5 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 98.3 | -9.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F143 P144 | F143-G146 PolarHBondContact O-N 3.35Å; P144-G146 PolarHBondContact O-N 3.2Å |
| 147 | N | 89.7 | Confident | 90.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -78.1 | 139.4 | 175.1 | 60.8 | -53.4 | 0 | 0 | 0 | 111.6 | P89 F143 H149 | P89-N147 HydrophobicContact CB-CB 4.03Å; F143-N147 VanDerWaalsContact CB-OD1 3.27Å; F143-N147 WeakPolarHBondContact CB-OD1 3.16Å; F143-N147 WeakPolarHBondContact CD2-ND2 3.45Å; F143-N147 PolarHBondContact N-O 2.88Å; N147-H149 PolarHBondContact ND2-CD2 3.14Å; N147-H149 VanDerWaalsContact ND2-CD2 3.27Å; N147-H149 PolarHBondContact ND2-NE2 3.11Å; N147-H149 VanDerWaalsContact ND2-NE2 3.11Å | ||
| 148 | T | 92.6 | Very high | 90.5 | Very high | 32 Ų | 32 | 41 Ų | 41 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132 | 175.8 | -56.8 | 0 | 0 | 0 | 0 | 109.3 | P85 G86 P140 Y141 | P85-T148 WeakPolarHBondContact CA-O 3.35Å; G86-T148 PolarHBondContact N-O 3.3Å; P140-T148 HydrophobicContact CB-CG2 3.88Å; Y141-T148 WeakPolarHBondContact O-CA 3.43Å |
| 149 | H | 92.3 | Very high | 90.2 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 14% | 0.144 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.5 | 173.2 | -69.4 | -89.9 | 0 | 0 | 0 | 110.1 | I69 Y141 F143 N147 F151 | I69-H149 HydrophobicContact CD1-CB 3.96Å; Y141-H149 PolarHBondContact N-O 2.81Å; Y141-H149 PolarHBondContact O-N 3.11Å; F143-H149 HydrophobicContact CE2-CB 4.38Å; F143-H149 AromaticContact CE2-CD2 3.83Å; N147-H149 PolarHBondContact ND2-CD2 3.14Å; N147-H149 VanDerWaalsContact ND2-CD2 3.27Å; N147-H149 PolarHBondContact ND2-NE2 3.11Å; N147-H149 VanDerWaalsContact ND2-NE2 3.11Å; H149-F151 HydrophobicContact CB-CE2 3.8Å; H149-F151 HydrophobicContact CB-CZ 3.97Å; H149-F151 WeakPolarHBondContact O-CD2 3.48Å; H149-F151 WeakPolarHBondContact O-CE2 3.45Å |
| 150 | N | 92.5 | Very high | 89.9 | Confident | 77 Ų | 77 | 34.3 Ų | 34.3 | 41% | 0.412 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 139 | 175.1 | -68.2 | 1.5 | 0 | 0 | 0 | 110.1 | E138 P140 | E138-N150 HydrophobicContact CB-CB 4.06Å; E138-N150 WeakPolarHBondContact OE2-CB 3.25Å; E138-N150 PolarHBondContact OE2-ND2 3.48Å; P140-N150 WeakPolarHBondContact CB-OD1 3.21Å |
| 151 | F | 92.6 | Very high | 89.4 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 120.1 | 176.8 | -63 | -85.6 | 0 | 0 | 0 | 109.2 | L63 L64 I69 F116 V120 E138 I139 F143 H149 R155 | L63-F151 HydrophobicContact CD2-CD1 4.11Å; L63-F151 HydrophobicContact CD2-CE1 3.65Å; L64-F151 HydrophobicContact CD2-CE1 4.41Å; L64-F151 HydrophobicContact CD2-CZ 4.11Å; I69-F151 HydrophobicContact CD1-CE1 4.37Å; I69-F151 HydrophobicContact CD1-CZ 3.91Å; F116-F151 HydrophobicContact CE2-CD1 4.47Å; F116-F151 HydrophobicContact CE2-CD2 4.09Å; F116-F151 HydrophobicContact CE2-CE1 4.03Å; F116-F151 AromaticContact CE2-CE2 3.63Å; F116-F151 HydrophobicContact CE2-CE2 3.63Å; F116-F151 HydrophobicContact CE2-CG 4.5Å; F116-F151 AromaticContact CE2-CZ 3.58Å; F116-F151 HydrophobicContact CE2-CZ 3.58Å; F116-F151 HydrophobicContact CZ-CD1 4.31Å; F116-F151 AromaticContact CZ-CE1 3.98Å; F116-F151 HydrophobicContact CZ-CE1 3.98Å; F116-F151 HydrophobicContact CZ-CE2 4.37Å; F116-F151 HydrophobicContact CZ-CZ 4Å; V120-F151 HydrophobicContact CG1-CB 3.85Å; V120-F151 HydrophobicContact CG1-CD1 4.46Å; V120-F151 HydrophobicContact CG1-CD2 4.03Å; V120-F151 HydrophobicContact CG1-CG 3.85Å; V120-F151 HydrophobicContact CG2-CD2 4.49Å; E138-F151 WeakPolarHBondContact CA-O 3.4Å; I139-F151 PolarHBondContact N-O 3.23Å; I139-F151 PolarHBondContact O-N 3.34Å; F143-F151 HydrophobicContact CE2-CE2 4.4Å; F143-F151 HydrophobicContact CE2-CZ 4.36Å; F143-F151 HydrophobicContact CZ-CZ 4.26Å; H149-F151 HydrophobicContact CB-CE2 3.8Å; H149-F151 HydrophobicContact CB-CZ 3.97Å; H149-F151 WeakPolarHBondContact O-CD2 3.48Å; H149-F151 WeakPolarHBondContact O-CE2 3.45Å; F151-R155 HydrophobicContact CB-CG 3.71Å; F151-R155 WeakPolarHBondContact O-CD 3.45Å; F151-R155 PolarHBondContact O-NE 3.5Å; F151-R155 PolarHBondContact O-NH2 2.99Å |
| 152 | G | 89.8 | Confident | 88.7 | Confident | 11 Ų | 11 | 31.5 Ų | 31.5 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -99 | -119.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | E154 R155 | G152-E154 PolarHBondContact O-N 2.79Å; G152-E154 VanDerWaalsContact O-N 3.11Å; G152-R155 WeakPolarHBondContact O-CB 3.4Å; G152-R155 WeakPolarHBondContact O-CG 3.22Å; G152-R155 PolarHBondContact O-N 2.72Å; G152-R155 PolarHBondContact O-NE 2.67Å; G152-R155 PolarHBondContact O-NH2 3.46Å |
| 153 | I | 89.1 | Confident | 88.1 | Confident | 29 Ų | 29 | 31.1 Ų | 31.1 | 15% | 0.149 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.7 | -176.8 | -158.2 | 171.1 | 0 | 0 | 0 | 115.1 | M128 K133 R155 Y156 | M128-I153 HydrophobicContact CE-CD1 4.11Å; M128-I153 HydrophobicContact CE-CG1 3.79Å; K133-I153 HydrophobicContact CG-CD1 4.05Å; K133-I153 HydrophobicContact CG-CG2 4.23Å; I153-R155 PolarHBondContact O-N 2.74Å; I153-R155 VanDerWaalsContact O-N 3.1Å; I153-Y156 PolarHBondContact O-N 2.92Å |
| 154 | E | 88 | Confident | 87.2 | Confident | 53 Ų | 53 | 34.5 Ų | 34.5 | 25% | 0.248 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -21.8 | -176.6 | -60.1 | 178.6 | -179.3 | 0 | 0 | 113.3 | L63 K67 G152 Y156 R157 | L63-E154 HydrophobicContact CD1-CB 3.95Å; K67-E154 WeakPolarHBondContact CE-OE1 3.32Å; K67-E154 WeakPolarHBondContact CE-OE2 3.36Å; K67-E154 IonicContact NZ-OE1 2.74Å; K67-E154 PolarHBondContact NZ-OE1 3.33Å; K67-E154 IonicContact NZ-OE2 2.68Å; G152-E154 PolarHBondContact O-N 2.79Å; G152-E154 VanDerWaalsContact O-N 3.11Å; E154-Y156 VanDerWaalsContact C-N 3.35Å; E154-R157 WeakPolarHBondContact O-CB 3.4Å; E154-R157 PolarHBondContact O-N 3.37Å |
| 155 | R | 89.2 | Confident | 85.8 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 176 | -68.9 | -176.1 | -73.2 | 165.5 | -7.3 | 112.4 | V120 V136 E137 F151 G152 I153 | V120-R155 HydrophobicContact CG1-CG 3.53Å; V120-R155 WeakPolarHBondContact O-CB 3.49Å; V120-R155 WeakPolarHBondContact O-CD 3.38Å; V120-R155 WeakPolarHBondContact O-CG 3.39Å; V136-R155 VanDerWaalsContact CG1-NH2 3.31Å; E137-R155 PolarHBondContact O-NH2 3.49Å; F151-R155 HydrophobicContact CB-CG 3.71Å; F151-R155 WeakPolarHBondContact O-CD 3.45Å; F151-R155 PolarHBondContact O-NE 3.5Å; F151-R155 PolarHBondContact O-NH2 2.99Å; G152-R155 WeakPolarHBondContact O-CB 3.4Å; G152-R155 WeakPolarHBondContact O-CG 3.22Å; G152-R155 PolarHBondContact O-N 2.72Å; G152-R155 PolarHBondContact O-NE 2.67Å; G152-R155 PolarHBondContact O-NH2 3.46Å; I153-R155 PolarHBondContact O-N 2.74Å; I153-R155 VanDerWaalsContact O-N 3.1Å |
| 156 | Y | 89.7 | Confident | 84.2 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 15% | 0.145 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.3 | -39 | 179.5 | -56.3 | -62.5 | 0 | 0 | 0 | 111.4 | E122 M131 V136 I153 E154 V158 A159 E160 | E122-Y156 HydrophobicContact CB-CD1 4.17Å; E122-Y156 HydrophobicContact CB-CE1 3.77Å; E122-Y156 WeakPolarHBondContact O-CA 3.38Å; E122-Y156 WeakPolarHBondContact O-CD1 3.43Å; M131-Y156 HydrophobicContact CE-CD2 3.95Å; M131-Y156 HydrophobicContact CE-CG 4.14Å; M131-Y156 HydrophobicContact SD-CD2 4.41Å; M131-Y156 HydrophobicContact SD-CE2 4.46Å; V136-Y156 HydrophobicContact CG1-CE2 3.77Å; I153-Y156 PolarHBondContact O-N 2.92Å; E154-Y156 VanDerWaalsContact C-N 3.35Å; Y156-V158 PolarHBondContact O-N 3.13Å; Y156-A159 PolarHBondContact O-N 3.34Å; Y156-E160 WeakPolarHBondContact O-CG 3.35Å; Y156-E160 PolarHBondContact O-N 3.02Å |
| 157 | R | 86.1 | Confident | 82.6 | Confident | 152 Ų | 152 | 48.9 Ų | 48.9 | 57% | 0.574 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -52.3 | -37.4 | -179.2 | -164.9 | -178.7 | -176.9 | -170.3 | 3 | 113.5 | M128 E154 | M128-R157 HydrophobicContact CE-CB 3.75Å; M128-R157 HydrophobicContact CE-CG 4.15Å; M128-R157 HydrophobicContact SD-CB 4.13Å; M128-R157 HydrophobicContact SD-CG 4.35Å; E154-R157 WeakPolarHBondContact O-CB 3.4Å; E154-R157 PolarHBondContact O-N 3.37Å |
| 158 | V | 87.9 | Confident | 80.9 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.9 | -37.5 | 179.9 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | L56 L59 L63 V121 Y156 | L56-V158 HydrophobicContact CD2-CG1 3.99Å; L56-V158 VanDerWaalsContact CD2-O 3.29Å; L56-V158 WeakPolarHBondContact CD2-O 3.44Å; L59-V158 HydrophobicContact CB-CG1 3.86Å; L63-V158 HydrophobicContact CD1-CG2 3.5Å; V121-V158 HydrophobicContact CG1-CB 4.24Å; V121-V158 HydrophobicContact CG1-CG1 4.11Å; V121-V158 HydrophobicContact CG2-CB 4.24Å; V121-V158 HydrophobicContact CG2-CG1 4Å; Y156-V158 PolarHBondContact O-N 3.13Å |
| 159 | A | 86.1 | Confident | 78.7 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -81.9 | -37.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | V121 E122 V123 Y156 A161 L162 | V121-A159 HydrophobicContact CG1-CB 3.87Å; E122-A159 WeakPolarHBondContact O-CB 3.35Å; V123-A159 HydrophobicContact CB-CB 4.45Å; V123-A159 HydrophobicContact CG2-CB 3.67Å; Y156-A159 PolarHBondContact O-N 3.34Å; A159-A161 PolarHBondContact O-N 2.88Å; A159-L162 WeakPolarHBondContact O-CB 3.43Å; A159-L162 PolarHBondContact O-N 2.81Å |
| 160 | E | 84.2 | Confident | 76.6 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.6 | -34 | 177 | -72.6 | -47.9 | 115.1 | 0 | 0 | 112.8 | M128 Y156 L162 F163 D164 | M128-E160 HydrophobicContact CB-CG 4.49Å; Y156-E160 WeakPolarHBondContact O-CG 3.35Å; Y156-E160 PolarHBondContact O-N 3.02Å; E160-L162 PolarHBondContact O-N 3.24Å; E160-F163 WeakPolarHBondContact O-CA 3.44Å; E160-F163 PolarHBondContact O-N 3.27Å; E160-D164 PolarHBondContact O-N 2.79Å; E160-D164 VanDerWaalsContact O-N 3.11Å |
| 161 | A | 82.2 | Confident | 74.4 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -14.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | M55 L59 A159 F167 | M55-A161 HydrophobicContact CE-CB 4.38Å; M55-A161 WeakPolarHBondContact CE-O 3.05Å; L59-A161 HydrophobicContact CD1-CB 3.48Å; L59-A161 VanDerWaalsContact CD1-CB 3.48Å; A159-A161 PolarHBondContact O-N 2.88Å; A161-F167 HydrophobicContact CB-CE2 4.39Å |
| 162 | L | 79.5 | Confident | 71.9 | Confident | 20 Ų | 20 | 67.7 Ų | 67.7 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -21.7 | 171.3 | -72.7 | 174.5 | 0 | 0 | 0 | 113.9 | R37 A51 M55 L56 A159 E160 H168 | R37-L162 PolarHBondContact NH1-O 3.01Å; R37-L162 PolarHBondContact NH2-O 2.89Å; A51-L162 HydrophobicContact CB-CD2 4.48Å; M55-L162 HydrophobicContact CE-CD2 3.55Å; M55-L162 HydrophobicContact CE-CG 4.13Å; L56-L162 HydrophobicContact CD1-CD1 3.86Å; L56-L162 HydrophobicContact CD2-CD1 3.66Å; L56-L162 HydrophobicContact CD2-CD2 4.32Å; L56-L162 HydrophobicContact CD2-CG 3.8Å; L56-L162 HydrophobicContact CG-CD1 3.88Å; L56-L162 HydrophobicContact CG-CD2 4.28Å; L56-L162 HydrophobicContact CG-CG 4.22Å; A159-L162 WeakPolarHBondContact O-CB 3.43Å; A159-L162 PolarHBondContact O-N 2.81Å; E160-L162 PolarHBondContact O-N 3.24Å; L162-H168 PolarHBondContact O-NE2 3.09Å |
| 163 | F | 79.3 | Confident | 69.5 | Low | 89 Ų | 89 | 72.9 Ų | 72.9 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -22 | -175.7 | -59.5 | -77.4 | 0 | 0 | 0 | 112.7 | V123 E160 D165 | V123-F163 HydrophobicContact CG1-CE2 3.8Å; V123-F163 HydrophobicContact CG1-CZ 4.32Å; V123-F163 HydrophobicContact CG2-CE2 4.11Å; E160-F163 WeakPolarHBondContact O-CA 3.44Å; E160-F163 PolarHBondContact O-N 3.27Å; F163-D165 PolarHBondContact O-N 2.97Å; F163-D165 VanDerWaalsContact O-N 3.12Å |
| 164 | D | 73.6 | Confident | 67.1 | Low | 77 Ų | 77 | 78.5 Ų | 78.5 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | trans | -57.6 | 114.8 | 173.8 | -78.6 | -24.1 | 0 | 0 | 0 | 112.8 | E160 E166 F167 H168 | E160-D164 PolarHBondContact O-N 2.79Å; E160-D164 VanDerWaalsContact O-N 3.11Å; D164-E166 PolarHBondContact O-N 3.09Å; D164-F167 HydrophobicContact CB-CD2 3.82Å; D164-F167 HydrophobicContact CB-CE2 4.49Å; D164-F167 PolarHBondContact O-N 3.36Å; D164-H168 PolarHBondContact O-CD2 2.87Å | ||
| 165 | D | 60.5 | Low | 64.9 | Low | 110 Ų | 110 | 82.7 Ų | 82.7 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.7 | -27.2 | 178.5 | -84.5 | -23.8 | 0 | 0 | 0 | 113 | F163 F167 H168 K169 | F163-D165 PolarHBondContact O-N 2.97Å; F163-D165 VanDerWaalsContact O-N 3.12Å; D165-F167 VanDerWaalsContact C-N 3.29Å; D165-F167 PolarHBondContact O-N 3.11Å; D165-H168 WeakPolarHBondContact O-CA 3.42Å; D165-H168 PolarHBondContact O-N 3.14Å; D165-K169 WeakPolarHBondContact O-CG 3.34Å; D165-K169 PolarHBondContact O-N 2.73Å |
| 166 | E | 56 | Low | 62.5 | Low | 131 Ų | 131 | 90.3 Ų | 90.3 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -53 | -45.8 | 174.7 | -72 | -77.3 | 124.9 | 0 | 0 | 111.2 | D164 H168 K169 V170 | D164-E166 PolarHBondContact O-N 3.09Å; E166-H168 PolarHBondContact O-N 2.94Å; E166-K169 PolarHBondContact O-N 2.85Å; E166-K169 VanDerWaalsContact O-N 3.16Å; E166-V170 WeakPolarHBondContact O-CG2 3.47Å; E166-V170 PolarHBondContact O-N 3.21Å |
| 167 | F | 53.6 | Low | 60 | Low | 113 Ų | 113 | 94.4 Ų | 94.4 | 50% | 0.496 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.4 | -26.9 | 178.6 | -80.9 | -81.3 | 0 | 0 | 0 | 113 | A161 D164 D165 | A161-F167 HydrophobicContact CB-CE2 4.39Å; D164-F167 HydrophobicContact CB-CD2 3.82Å; D164-F167 HydrophobicContact CB-CE2 4.49Å; D164-F167 PolarHBondContact O-N 3.36Å; D165-F167 VanDerWaalsContact C-N 3.29Å; D165-F167 PolarHBondContact O-N 3.11Å |
| 168 | H | 54.2 | Low | 57.8 | Low | 60 Ų | 60 | 89.9 Ų | 89.9 | 28% | 0.278 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -82.2 | -30.4 | 175.8 | -62.1 | -65.3 | 0 | 0 | 0 | 112.1 | L162 D164 D165 E166 | L162-H168 PolarHBondContact O-NE2 3.09Å; D164-H168 PolarHBondContact O-CD2 2.87Å; D165-H168 WeakPolarHBondContact O-CA 3.42Å; D165-H168 PolarHBondContact O-N 3.14Å; E166-H168 PolarHBondContact O-N 2.94Å |
| 169 | K | 47.6 | Very low | 55.5 | Low | 127 Ų | 127 | 98.8 Ų | 98.8 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -75.2 | -40.4 | 177.5 | -72.3 | 176.1 | -173 | 171.1 | 0 | 113 | D165 E166 R171 K172 | D165-K169 WeakPolarHBondContact O-CG 3.34Å; D165-K169 PolarHBondContact O-N 2.73Å; E166-K169 PolarHBondContact O-N 2.85Å; E166-K169 VanDerWaalsContact O-N 3.16Å; K169-R171 PolarHBondContact O-N 2.73Å; K169-R171 VanDerWaalsContact O-N 3.11Å; K169-K172 WeakPolarHBondContact O-CB 3.38Å; K169-K172 PolarHBondContact O-N 3.36Å |
| 170 | V | 46.2 | Very low | 53.7 | Low | 81 Ų | 81 | 104.1 Ų | 104.1 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -26.5 | 179.3 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | E166 K172 L173 F174 | E166-V170 WeakPolarHBondContact O-CG2 3.47Å; E166-V170 PolarHBondContact O-N 3.21Å; V170-K172 VanDerWaalsContact C-N 3.27Å; V170-K172 PolarHBondContact O-N 3.33Å; V170-L173 WeakPolarHBondContact O-CB 3.33Å; V170-L173 PolarHBondContact O-N 3.44Å; V170-L173 VanDerWaalsContact O-N 3.11Å; V170-F174 PolarHBondContact O-N 3.35Å |
| 171 | R | 47 | Very low | 51.3 | Low | 121 Ų | 121 | 107.7 Ų | 107.7 | 46% | 0.457 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.6 | -15.4 | 172.8 | -113.4 | -177.9 | 165.7 | 136.5 | -4.4 | 114.8 | K169 R175 | K169-R171 PolarHBondContact O-N 2.73Å; K169-R171 VanDerWaalsContact O-N 3.11Å; R171-R175 PolarHBondContact O-N 3.35Å; R171-R175 PolarHBondContact O-NE 3.02Å |
| 172 | K | 40.5 | Very low | 49 | Very low | 149 Ų | 149 | 116.9 Ų | 116.9 | 65% | 0.648 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -75.4 | -37.1 | 166.6 | -73.9 | -175.3 | 176.3 | -179.6 | 0 | 110.9 | K169 V170 R175 | K169-K172 WeakPolarHBondContact O-CB 3.38Å; K169-K172 PolarHBondContact O-N 3.36Å; V170-K172 VanDerWaalsContact C-N 3.27Å; V170-K172 PolarHBondContact O-N 3.33Å; K172-R175 WeakPolarHBondContact O-CB 3.49Å; K172-R175 PolarHBondContact O-N 3.18Å |
| 173 | L | 38.6 | Very low | 46.9 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 63% | 0.628 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.3 | -40.2 | 175.2 | -128 | 87.6 | 0 | 0 | 0 | 112 | V170 R175 F176 F177 | V170-L173 WeakPolarHBondContact O-CB 3.33Å; V170-L173 PolarHBondContact O-N 3.44Å; V170-L173 VanDerWaalsContact O-N 3.11Å; L173-R175 PolarHBondContact O-N 3.3Å; L173-F176 VanDerWaalsContact O-CB 3.25Å; L173-F176 WeakPolarHBondContact O-CB 3.49Å; L173-F176 PolarHBondContact O-N 3.39Å; L173-F177 PolarHBondContact O-N 3.11Å |
| 174 | F | 39.9 | Very low | 44.4 | Very low | 146 Ų | 146 | 125 Ų | 125 | 64% | 0.64 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.4 | -23.7 | 174.3 | -112.3 | -90 | 0 | 0 | 0 | 113.4 | V170 F176 F177 S178 | V170-F174 PolarHBondContact O-N 3.35Å; F174-F176 VanDerWaalsContact C-N 3.28Å; F174-F177 PolarHBondContact O-N 3.18Å; F174-S178 WeakPolarHBondContact O-CB 3.41Å; F174-S178 PolarHBondContact O-N 2.93Å |
| 175 | R | 41.4 | Very low | 42.4 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 54% | 0.536 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.2 | -24.1 | 170.6 | -96.6 | -176.9 | -84.5 | 172.7 | -10.3 | 113 | R171 K172 L173 | R171-R175 PolarHBondContact O-N 3.35Å; R171-R175 PolarHBondContact O-NE 3.02Å; K172-R175 WeakPolarHBondContact O-CB 3.49Å; K172-R175 PolarHBondContact O-N 3.18Å; L173-R175 PolarHBondContact O-N 3.3Å |
| 176 | F | 37.8 | Very low | 41 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 73% | 0.732 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.4 | -43 | 173.1 | -157.3 | -96.9 | 0 | 0 | 0 | 110.7 | L173 F174 | L173-F176 VanDerWaalsContact O-CB 3.25Å; L173-F176 WeakPolarHBondContact O-CB 3.49Å; L173-F176 PolarHBondContact O-N 3.39Å; F174-F176 VanDerWaalsContact C-N 3.28Å |
| 177 | F | 37.8 | Very low | 39.8 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 54% | 0.535 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -76.2 | -27.1 | 176.9 | -81.8 | -84.1 | 0 | 0 | 0 | 114.5 | L173 F174 K179 V180 L181 | L173-F177 PolarHBondContact O-N 3.11Å; F174-F177 PolarHBondContact O-N 3.18Å; F177-K179 PolarHBondContact O-N 3.48Å; F177-V180 WeakPolarHBondContact O-CA 3.46Å; F177-V180 WeakPolarHBondContact O-CB 3.47Å; F177-V180 PolarHBondContact O-N 2.83Å; F177-L181 PolarHBondContact O-N 3.49Å; F177-L181 VanDerWaalsContact O-N 3.07Å |
| 178 | S | 39.9 | Very low | 38.7 | Very low | 58 Ų | 58 | 137.3 Ų | 137.3 | 41% | 0.406 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | -12.3 | 174.4 | -179 | 0 | 0 | 0 | 0 | 113.8 | F174 V180 | F174-S178 WeakPolarHBondContact O-CB 3.41Å; F174-S178 PolarHBondContact O-N 2.93Å; S178-V180 VanDerWaalsContact C-N 3.31Å |
| 179 | K | 39.9 | Very low | 37.8 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 85% | 0.848 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -20.3 | 165.7 | -83.2 | -175.5 | 172.6 | -176.1 | 0 | 112.4 | F177 | F177-K179 PolarHBondContact O-N 3.48Š|
| 180 | V | 47.3 | Very low | 37.1 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -27.6 | -178.4 | -178 | 0 | 0 | 0 | 0 | 111.6 | F177 S178 | F177-V180 WeakPolarHBondContact O-CA 3.46Å; F177-V180 WeakPolarHBondContact O-CB 3.47Å; F177-V180 PolarHBondContact O-N 2.83Å; S178-V180 VanDerWaalsContact C-N 3.31Å |
| 181 | L | 35.2 | Very low | 36.8 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 59% | 0.592 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -110.2 | 116.9 | 169.2 | -83.7 | 113.9 | 0 | 0 | 0 | 110.2 | F177 V183 | F177-L181 PolarHBondContact O-N 3.49Å; F177-L181 VanDerWaalsContact O-N 3.07Å; L181-V183 HydrophobicContact CB-CG2 4.46Å; L181-V183 PolarHBondContact O-N 3Å |
| 182 | Q | 32.6 | Very low | 36.6 | Very low | 200 Ų | 200 | 143.3 Ų | 143.3 | 94% | 0.935 | 66% | 0.66 | S | S | * | * | trans | -63.6 | 61.3 | 177.3 | -69.8 | -167.8 | -17.2 | 0 | 0 | 113.7 | K184 | Q182-K184 PolarHBondContact O-N 3.27Š| ||
| 183 | V | 35.8 | Very low | 37.1 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 56% | 0.564 | 65% | 0.645 | S | S | * | * | trans | -92.7 | 98.8 | 169.7 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | L181 E185 | L181-V183 HydrophobicContact CB-CG2 4.46Å; L181-V183 PolarHBondContact O-N 3Å; V183-E185 PolarHBondContact O-N 3.42Å | ||
| 184 | K | 26.8 | Very low | 37.5 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 81% | 0.813 | 62% | 0.623 | S | S | * | * | trans | -66.8 | 90.6 | 173.9 | -78.5 | 179.7 | 174.9 | 176 | 0 | 110.6 | Q182 | Q182-K184 PolarHBondContact O-N 3.27Š| ||
| 185 | E | 32.2 | Very low | 38 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | trans | -108.4 | 78.5 | 157.6 | -73.1 | -166.6 | 170 | 0 | 0 | 109.5 | V183 | V183-E185 PolarHBondContact O-N 3.42Š| ||
| 186 | H | 30.1 | Very low | 38.6 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | trans | -77.7 | 129.7 | 168.8 | -77.3 | -96.7 | 0 | 0 | 0 | 109.5 | ||||
| 187 | Y | 30.7 | Very low | 39.2 | Very low | 181 Ų | 181 | 122.9 Ų | 122.9 | 71% | 0.71 | 60% | 0.596 | S | S | * | * | trans | 171.5 | 71.3 | 140.3 | -77.7 | -57.8 | 0 | 0 | 0 | 108.7 | ||||
| 188 | Y | 32.3 | Very low | 39.9 | Very low | 192 Ų | 192 | 120.3 Ų | 120.3 | 75% | 0.753 | 59% | 0.587 | S | S | * | * | trans | -102.3 | 115.9 | 163.8 | -87.3 | -87.5 | 0 | 0 | 0 | 107.9 | ||||
| 189 | Y | 35.3 | Very low | 40.6 | Very low | 134 Ų | 134 | 118.9 Ų | 118.9 | 53% | 0.525 | 58% | 0.582 | S | S | . | * | trans | -79.8 | 125.3 | 156.9 | -72.2 | -90.3 | 0 | 0 | 0 | 105.9 | D193 | Y189-D193 WeakPolarHBondContact CA-OD2 3.33Å; Y189-D193 HydrophobicContact CD1-CB 3.94Å | ||
| 190 | R | 31.5 | Very low | 41.3 | Very low | 180 Ų | 180 | 117.6 Ų | 117.6 | 68% | 0.679 | 57% | 0.572 | S | S | * | * | trans | -59.1 | 150.7 | 166.5 | -66.9 | -173.7 | -172.2 | -171.4 | 4.6 | 107.9 | E192 D193 | R190-E192 PolarHBondContact O-N 3.44Å; R190-E192 VanDerWaalsContact O-N 3.09Å; R190-D193 WeakPolarHBondContact CB-OD2 3.03Å; R190-D193 PolarHBondContact N-OD2 3.33Å; R190-D193 WeakPolarHBondContact O-CB 3.48Å; R190-D193 PolarHBondContact O-N 3.14Å | ||
| 191 | A | 40.1 | Very low | 41.6 | Very low | 59 Ų | 59 | 114.8 Ų | 114.8 | 49% | 0.488 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.4 | -27.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P45 D193 P195 | P45-A191 HydrophobicContact CB-CB 3.68Å; A191-D193 VanDerWaalsContact C-N 3.35Å; A191-P195 WeakPolarHBondContact O-CD 3.21Å |
| 192 | E | 42.5 | Very low | 42.4 | Very low | 141 Ų | 141 | 111.5 Ų | 111.5 | 66% | 0.659 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -24.4 | 174.3 | -64.8 | 162.2 | -141.2 | 0 | 0 | 113.2 | R190 I194 P195 T196 | R190-E192 PolarHBondContact O-N 3.44Å; R190-E192 VanDerWaalsContact O-N 3.09Å; E192-I194 VanDerWaalsContact C-N 3.33Å; E192-I194 PolarHBondContact O-N 2.8Å; E192-P195 WeakPolarHBondContact O-CD 3.25Å; E192-T196 PolarHBondContact O-OG1 2.76Å; E192-T196 VanDerWaalsContact O-OG1 3.14Å |
| 193 | D | 51.8 | Low | 43.5 | Very low | 64 Ų | 64 | 106.2 Ų | 106.2 | 34% | 0.342 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.2 | -18 | -176.5 | -60.2 | -30.3 | 0 | 0 | 0 | 112.6 | Y189 R190 A191 A197 | Y189-D193 WeakPolarHBondContact CA-OD2 3.33Å; Y189-D193 HydrophobicContact CD1-CB 3.94Å; R190-D193 WeakPolarHBondContact CB-OD2 3.03Å; R190-D193 PolarHBondContact N-OD2 3.33Å; R190-D193 WeakPolarHBondContact O-CB 3.48Å; R190-D193 PolarHBondContact O-N 3.14Å; A191-D193 VanDerWaalsContact C-N 3.35Å; D193-A197 WeakPolarHBondContact O-CA 3.4Å; D193-A197 WeakPolarHBondContact O-CB 3.34Å; D193-A197 PolarHBondContact O-N 2.88Å |
| 194 | I | 47.5 | Very low | 44.4 | Very low | 34 Ų | 34 | 110.8 Ų | 110.8 | 17% | 0.174 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -76.8 | -48 | -174.4 | -56.3 | 174.6 | 0 | 0 | 0 | 111.3 | V46 E192 T196 A197 I198 | V46-I194 HydrophobicContact CB-CD1 4.26Å; V46-I194 HydrophobicContact CG2-CD1 3.59Å; E192-I194 VanDerWaalsContact C-N 3.33Å; E192-I194 PolarHBondContact O-N 2.8Å; I194-T196 VanDerWaalsContact C-N 3.28Å; I194-T196 PolarHBondContact O-N 2.7Å; I194-A197 PolarHBondContact O-N 3.45Å; I194-I198 HydrophobicContact CG2-CD1 3.81Å; I194-I198 HydrophobicContact CG2-CG1 4.41Å; I194-I198 WeakPolarHBondContact O-CB 3.37Å; I194-I198 WeakPolarHBondContact O-CG1 3.27Å; I194-I198 PolarHBondContact O-N 2.96Å |
| 195 | P | 48.7 | Very low | 45.5 | Very low | 88 Ų | 88 | 104.2 Ų | 104.2 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.3 | -40.6 | 170.4 | -22.1 | 32.5 | 0 | 0 | 0 | 112.1 | A191 E192 I198 G199 | A191-P195 WeakPolarHBondContact O-CD 3.21Å; E192-P195 WeakPolarHBondContact O-CD 3.25Å; P195-I198 PolarHBondContact O-N 3.18Å; P195-G199 PolarHBondContact O-N 3.47Å |
| 196 | T | 55.1 | Low | 46.5 | Very low | 64 Ų | 64 | 102 Ų | 102 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.4 | -37.6 | 178.3 | -49.8 | 0 | 0 | 0 | 0 | 112.5 | E192 I194 R200 | E192-T196 PolarHBondContact O-OG1 2.76Å; E192-T196 VanDerWaalsContact O-OG1 3.14Å; I194-T196 VanDerWaalsContact C-N 3.28Å; I194-T196 PolarHBondContact O-N 2.7Å; T196-R200 WeakPolarHBondContact O-CB 3.33Å; T196-R200 VanDerWaalsContact O-CG 3.25Å; T196-R200 WeakPolarHBondContact O-CG 3.49Å; T196-R200 PolarHBondContact O-N 2.94Å |
| 197 | A | 51.3 | Low | 47.8 | Very low | 45 Ų | 45 | 103.1 Ų | 103.1 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.3 | -37.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D193 I194 S201 | D193-A197 WeakPolarHBondContact O-CA 3.4Å; D193-A197 WeakPolarHBondContact O-CB 3.34Å; D193-A197 PolarHBondContact O-N 2.88Å; I194-A197 PolarHBondContact O-N 3.45Å; A197-S201 WeakPolarHBondContact O-CB 3.46Å; A197-S201 PolarHBondContact O-N 3.14Å; A197-S201 PolarHBondContact O-OG 2.88Å; A197-S201 VanDerWaalsContact O-OG 3.14Å |
| 198 | I | 52.5 | Low | 48.9 | Very low | 68 Ų | 68 | 100.2 Ų | 100.2 | 35% | 0.349 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 173 | -68 | 167.8 | 0 | 0 | 0 | 109.8 | I194 P195 R200 S201 L202 | I194-I198 HydrophobicContact CG2-CD1 3.81Å; I194-I198 HydrophobicContact CG2-CG1 4.41Å; I194-I198 WeakPolarHBondContact O-CB 3.37Å; I194-I198 WeakPolarHBondContact O-CG1 3.27Å; I194-I198 PolarHBondContact O-N 2.96Å; P195-I198 PolarHBondContact O-N 3.18Å; I198-R200 PolarHBondContact O-N 3.38Å; I198-S201 WeakPolarHBondContact CA-OG 3.48Å; I198-S201 PolarHBondContact O-N 3.31Å; I198-S201 PolarHBondContact O-OG 3.22Å; I198-L202 HydrophobicContact CG2-CD1 3.93Å; I198-L202 WeakPolarHBondContact O-CG 3.45Å; I198-L202 PolarHBondContact O-N 3.04Å |
| 199 | G | 54.6 | Low | 49.9 | Very low | 29 Ų | 29 | 96.3 Ų | 96.3 | 30% | 0.299 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.7 | -49.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P195 S201 L202 D203 | P195-G199 PolarHBondContact O-N 3.47Å; G199-S201 VanDerWaalsContact C-N 3.32Å; G199-S201 PolarHBondContact O-N 3.42Å; G199-L202 CarbonylContact O-C 3.53Å; G199-L202 WeakPolarHBondContact O-CB 3.34Å; G199-L202 PolarHBondContact O-N 3.18Å; G199-L202 VanDerWaalsContact O-N 3.09Å; G199-D203 PolarHBondContact O-N 3.12Å |
| 200 | R | 54.1 | Low | 50.5 | Low | 168 Ų | 168 | 93.7 Ų | 93.7 | 63% | 0.634 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.4 | -32.1 | 176 | -73.5 | 177.6 | -176.9 | 156.6 | 2.2 | 113.6 | T196 I198 L202 D203 F204 | T196-R200 WeakPolarHBondContact O-CB 3.33Å; T196-R200 VanDerWaalsContact O-CG 3.25Å; T196-R200 WeakPolarHBondContact O-CG 3.49Å; T196-R200 PolarHBondContact O-N 2.94Å; I198-R200 PolarHBondContact O-N 3.38Å; R200-L202 VanDerWaalsContact C-N 3.33Å; R200-D203 WeakPolarHBondContact CA-OD2 3.48Å; R200-D203 WeakPolarHBondContact O-CB 3.48Å; R200-D203 PolarHBondContact O-N 3.13Å; R200-F204 WeakPolarHBondContact O-CD2 3.35Å; R200-F204 WeakPolarHBondContact O-CE2 3.19Å |
| 201 | S | 52.2 | Low | 51.3 | Low | 55 Ų | 55 | 87.3 Ų | 87.3 | 39% | 0.385 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.3 | -27.3 | 174.2 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | A197 I198 G199 D203 | A197-S201 WeakPolarHBondContact O-CB 3.46Å; A197-S201 PolarHBondContact O-N 3.14Å; A197-S201 PolarHBondContact O-OG 2.88Å; A197-S201 VanDerWaalsContact O-OG 3.14Å; I198-S201 WeakPolarHBondContact CA-OG 3.48Å; I198-S201 PolarHBondContact O-N 3.31Å; I198-S201 PolarHBondContact O-OG 3.22Å; G199-S201 VanDerWaalsContact C-N 3.32Å; G199-S201 PolarHBondContact O-N 3.42Å; S201-D203 VanDerWaalsContact C-N 3.29Å |
| 202 | L | 52 | Low | 51.8 | Low | 43 Ų | 43 | 89.3 Ų | 89.3 | 23% | 0.225 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -81.2 | -12 | 172.3 | -67.7 | 167 | 0 | 0 | 0 | 112 | I198 G199 R200 F204 L205 R210 | I198-L202 HydrophobicContact CG2-CD1 3.93Å; I198-L202 WeakPolarHBondContact O-CG 3.45Å; I198-L202 PolarHBondContact O-N 3.04Å; G199-L202 CarbonylContact O-C 3.53Å; G199-L202 WeakPolarHBondContact O-CB 3.34Å; G199-L202 PolarHBondContact O-N 3.18Å; G199-L202 VanDerWaalsContact O-N 3.09Å; R200-L202 VanDerWaalsContact C-N 3.33Å; L202-F204 PolarHBondContact O-N 2.88Å; L202-L205 HydrophobicContact CD2-CD1 3.67Å; L202-L205 PolarHBondContact O-N 3.46Å; L202-L205 VanDerWaalsContact O-N 3.13Å; L202-R210 PolarHBondContact O-NE 3.25Å; L202-R210 VanDerWaalsContact O-NE 3.12Å |
| 203 | D | 56.2 | Low | 52 | Low | 89 Ų | 89 | 86.1 Ų | 86.1 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.7 | -179.4 | -77.7 | -35.2 | 0 | 0 | 0 | 113.8 | G199 R200 S201 L205 R210 | G199-D203 PolarHBondContact O-N 3.12Å; R200-D203 WeakPolarHBondContact CA-OD2 3.48Å; R200-D203 WeakPolarHBondContact O-CB 3.48Å; R200-D203 PolarHBondContact O-N 3.13Å; S201-D203 VanDerWaalsContact C-N 3.29Å; D203-L205 VanDerWaalsContact C-N 3.35Å; D203-R210 VanDerWaalsContact C-NH2 3.27Å; D203-R210 PolarHBondContact O-NH2 3.48Å; D203-R210 IonicContact OD1-CZ 3.47Å; D203-R210 IonicContact OD1-NH1 2.8Å; D203-R210 PolarHBondContact OD1-NH1 3.13Å; D203-R210 IonicContact OD1-NH2 3.47Å; D203-R210 PolarHBondContact OD1-NH2 3.28Å |
| 204 | F | 55.5 | Low | 51.7 | Low | 190 Ų | 190 | 86.5 Ų | 86.5 | 83% | 0.833 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7.8 | 175 | -61.7 | -82.1 | 0 | 0 | 0 | 113.9 | R200 L202 | R200-F204 WeakPolarHBondContact O-CD2 3.35Å; R200-F204 WeakPolarHBondContact O-CE2 3.19Å; L202-F204 PolarHBondContact O-N 2.88Å |
| 205 | L | 50.1 | Low | 51.3 | Low | 49 Ų | 49 | 94.3 Ų | 94.3 | 26% | 0.257 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -90.2 | 135.6 | 177.1 | -74.3 | 160.2 | 0 | 0 | 0 | 110 | L202 D203 Q209 R210 I213 | L202-L205 HydrophobicContact CD2-CD1 3.67Å; L202-L205 PolarHBondContact O-N 3.46Å; L202-L205 VanDerWaalsContact O-N 3.13Å; D203-L205 VanDerWaalsContact C-N 3.35Å; L205-Q209 HydrophobicContact CB-CB 4.35Å; L205-Q209 HydrophobicContact CD2-CB 4.24Å; L205-R210 HydrophobicContact CB-CG 4.17Å; L205-R210 PolarHBondContact O-NE 3.49Å; L205-I213 HydrophobicContact CD1-CD1 4.03Å |
| 206 | D | 52.6 | Low | 50.8 | Low | 122 Ų | 122 | 94.6 Ų | 94.6 | 65% | 0.652 | 48% | 0.481 | S | S | * | . | trans | -56.6 | 146.6 | 175.6 | -142.8 | -13.2 | 0 | 0 | 0 | 110.7 | D208 Q209 R210 | D206-D208 PolarHBondContact O-N 3.09Å; D206-Q209 HydrophobicContact CB-CG 4.48Å; D206-Q209 WeakPolarHBondContact O-CB 3.18Å; D206-Q209 PolarHBondContact O-N 3.47Å; D206-R210 PolarHBondContact O-N 2.8Å; D206-R210 VanDerWaalsContact O-N 3.11Å | ||
| 207 | K | 57.6 | Low | 49.7 | Very low | 170 Ų | 170 | 94.7 Ų | 94.7 | 74% | 0.739 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -54.4 | -33.8 | -171.1 | -76.2 | -179.3 | 179.5 | 175.4 | 0 | 112.5 | R210 S211 | K207-R210 PolarHBondContact O-N 3.03Å; K207-S211 PolarHBondContact O-N 3.2Å |
| 208 | D | 53.3 | Low | 48.9 | Very low | 120 Ų | 120 | 100 Ų | 100 | 64% | 0.642 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69 | -38 | 179.6 | -65.2 | -23.7 | 0 | 0 | 0 | 112.3 | D206 S211 | D206-D208 PolarHBondContact O-N 3.09Å; D208-S211 PolarHBondContact O-N 2.89Å; D208-S211 PolarHBondContact O-OG 3.24Å |
| 209 | Q | 53.1 | Low | 48.1 | Very low | 110 Ų | 110 | 105.1 Ų | 105.1 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.5 | -34.3 | 175.3 | -63.3 | -69.2 | -39.7 | 0 | 0 | 111.8 | L205 D206 S211 V212 I213 | L205-Q209 HydrophobicContact CB-CB 4.35Å; L205-Q209 HydrophobicContact CD2-CB 4.24Å; D206-Q209 HydrophobicContact CB-CG 4.48Å; D206-Q209 WeakPolarHBondContact O-CB 3.18Å; D206-Q209 PolarHBondContact O-N 3.47Å; Q209-S211 VanDerWaalsContact C-N 3.29Å; Q209-S211 PolarHBondContact O-N 3.36Å; Q209-V212 PolarHBondContact O-N 3.35Å; Q209-I213 PolarHBondContact O-N 3.42Å |
| 210 | R | 48.2 | Very low | 47 | Very low | 79 Ų | 79 | 116.5 Ų | 116.5 | 30% | 0.298 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.7 | -38.3 | 173.8 | -61.6 | -173.2 | -163.7 | -164.2 | 9.4 | 111.5 | L202 D203 L205 D206 K207 V212 I213 C214 | L202-R210 PolarHBondContact O-NE 3.25Å; L202-R210 VanDerWaalsContact O-NE 3.12Å; D203-R210 VanDerWaalsContact C-NH2 3.27Å; D203-R210 PolarHBondContact O-NH2 3.48Å; D203-R210 IonicContact OD1-CZ 3.47Å; D203-R210 IonicContact OD1-NH1 2.8Å; D203-R210 PolarHBondContact OD1-NH1 3.13Å; D203-R210 IonicContact OD1-NH2 3.47Å; D203-R210 PolarHBondContact OD1-NH2 3.28Å; L205-R210 HydrophobicContact CB-CG 4.17Å; L205-R210 PolarHBondContact O-NE 3.49Å; D206-R210 PolarHBondContact O-N 2.8Å; D206-R210 VanDerWaalsContact O-N 3.11Å; K207-R210 PolarHBondContact O-N 3.03Å; R210-V212 VanDerWaalsContact C-N 3.29Å; R210-V212 PolarHBondContact O-N 3.42Å; R210-I213 PolarHBondContact O-N 3.38Å; R210-C214 WeakPolarHBondContact O-CB 3.44Å; R210-C214 PolarHBondContact O-N 3.11Å; R210-C214 PolarHBondContact O-SG 2.89Å |
| 211 | S | 47.9 | Very low | 46.6 | Very low | 46 Ų | 46 | 114 Ų | 114 | 32% | 0.322 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.8 | -24.5 | -177.7 | 83.7 | 0 | 0 | 0 | 0 | 114 | K207 D208 Q209 R215 | K207-S211 PolarHBondContact O-N 3.2Å; D208-S211 PolarHBondContact O-N 2.89Å; D208-S211 PolarHBondContact O-OG 3.24Å; Q209-S211 VanDerWaalsContact C-N 3.29Å; Q209-S211 PolarHBondContact O-N 3.36Å; S211-R215 WeakPolarHBondContact O-CB 3.18Å; S211-R215 WeakPolarHBondContact O-CG 3.45Å; S211-R215 PolarHBondContact O-N 2.93Å; S211-R215 PolarHBondContact O-NE 3.37Å |
| 212 | V | 51.8 | Low | 46.3 | Very low | 101 Ų | 101 | 117.1 Ų | 117.1 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -82.4 | -38.4 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | Q209 R210 | Q209-V212 PolarHBondContact O-N 3.35Å; R210-V212 VanDerWaalsContact C-N 3.29Å; R210-V212 PolarHBondContact O-N 3.42Å |
| 213 | I | 46.7 | Very low | 46 | Very low | 74 Ų | 74 | 121.2 Ų | 121.2 | 38% | 0.379 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77 | -35.8 | 179.2 | -61.7 | 171 | 0 | 0 | 0 | 111.2 | L205 Q209 R210 R215 | L205-I213 HydrophobicContact CD1-CD1 4.03Å; Q209-I213 PolarHBondContact O-N 3.42Å; R210-I213 PolarHBondContact O-N 3.38Å; I213-R215 VanDerWaalsContact C-N 3.3Å; I213-R215 PolarHBondContact O-N 3.36Å |
| 214 | C | 45.4 | Very low | 45.4 | Very low | 72 Ų | 72 | 123.1 Ų | 123.1 | 49% | 0.486 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -4.3 | 177.3 | -66.4 | 0 | 0 | 0 | 0 | 114.1 | R210 L216 | R210-C214 WeakPolarHBondContact O-CB 3.44Å; R210-C214 PolarHBondContact O-N 3.11Å; R210-C214 PolarHBondContact O-SG 2.89Å; C214-L216 PolarHBondContact O-N 3.36Å |
| 215 | R | 38.8 | Very low | 44.8 | Very low | 198 Ų | 198 | 118.9 Ų | 118.9 | 75% | 0.747 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 5.6 | 171.5 | -90.5 | -175 | -126.4 | -155.2 | 3.6 | 113.9 | S211 I213 | S211-R215 WeakPolarHBondContact O-CB 3.18Å; S211-R215 WeakPolarHBondContact O-CG 3.45Å; S211-R215 PolarHBondContact O-N 2.93Å; S211-R215 PolarHBondContact O-NE 3.37Å; I213-R215 VanDerWaalsContact C-N 3.3Å; I213-R215 PolarHBondContact O-N 3.36Å |
| 216 | L | 37.5 | Very low | 44.4 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 49% | 0.492 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -61.3 | 136.1 | 160.5 | -69.3 | 172.5 | 0 | 0 | 0 | 108.3 | C214 I218 | C214-L216 PolarHBondContact O-N 3.36Å; L216-I218 PolarHBondContact O-N 3.03Å |
| 217 | P | 32.6 | Very low | 43.8 | Very low | 67 Ų | 67 | 123.6 Ų | 123.6 | 44% | 0.435 | 60% | 0.6 | S | S | . | * | trans | -66.7 | 107.4 | -164.8 | 28 | -35.3 | 0 | 0 | 0 | 110.4 | F219 | P217-F219 HydrophobicContact CB-CD2 3.5Å; P217-F219 VanDerWaalsContact CB-CD2 3.5Å; P217-F219 HydrophobicContact CB-CE2 3.31Å; P217-F219 HydrophobicContact CB-CG 4.36Å; P217-F219 HydrophobicContact CB-CZ 4.05Å; P217-F219 HydrophobicContact CG-CD2 4.02Å; P217-F219 HydrophobicContact CG-CE2 3.7Å; P217-F219 PolarHBondContact O-N 2.78Å | ||
| 218 | I | 34.3 | Very low | 42.8 | Very low | 157 Ų | 157 | 120.1 Ų | 120.1 | 81% | 0.805 | 59% | 0.59 | S | S | * | * | trans | -81 | 80 | 162.9 | -56.2 | 172.7 | 0 | 0 | 0 | 104.7 | L216 K220 | L216-I218 PolarHBondContact O-N 3.03Å; I218-K220 PolarHBondContact O-N 2.81Å | ||
| 219 | F | 36.3 | Very low | 41.9 | Very low | 175 Ų | 175 | 120.1 Ų | 120.1 | 77% | 0.768 | 59% | 0.585 | S | S | * | * | trans | -70 | 121.2 | 176.1 | -82.7 | -74 | 0 | 0 | 0 | 109.8 | P217 | P217-F219 HydrophobicContact CB-CD2 3.5Å; P217-F219 VanDerWaalsContact CB-CD2 3.5Å; P217-F219 HydrophobicContact CB-CE2 3.31Å; P217-F219 HydrophobicContact CB-CG 4.36Å; P217-F219 HydrophobicContact CB-CZ 4.05Å; P217-F219 HydrophobicContact CG-CD2 4.02Å; P217-F219 HydrophobicContact CG-CE2 3.7Å; P217-F219 PolarHBondContact O-N 2.78Å | ||
| 220 | K | 29.9 | Very low | 40.9 | Very low | 268 Ų | 268 | 121 Ų | 121 | 100% | 1.165 | 59% | 0.592 | S | S | * | * | -69 | 0 | 127.6 | -89.5 | -174.4 | 175.6 | -179.3 | 0 | 108.1 | I218 | I218-K220 PolarHBondContact O-N 2.81Š|
Retrieved 220 of 220 residues in 139.9 ms
(Link to these results)