| 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 | 39.7 | Very low | 77 | Confident | 226 Ų | 226 | 107.5 Ų | 107.5 | 100% | 1.113 | 58% | 0.576 | S | S | * | * | 0 | 99.5 | 0 | -87 | 66.5 | -177.2 | 0 | 0 | 108.9 | |||||
| 2 | A | 57.4 | Low | 78.2 | Confident | 65 Ų | 65 | 105.8 Ų | 105.8 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | trans | -176.5 | 84.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 99.4 | K4 | A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 3.45Å | ||
| 3 | E | 64.9 | Low | 79.4 | Confident | 170 Ų | 170 | 103.4 Ų | 103.4 | 79% | 0.794 | 57% | 0.57 | S | S | * | * | trans | -76.6 | -18.4 | -163.1 | -77.2 | -164.8 | 158.4 | 0 | 0 | 112.3 | ||||
| 4 | K | 78.8 | Confident | 80.5 | Confident | 138 Ų | 138 | 100.9 Ų | 100.9 | 60% | 0.6 | 56% | 0.559 | S | S | * | * | trans | -137.5 | 143.3 | 175.5 | -63.5 | 174 | -172.6 | 161 | 0 | 110.7 | A2 D6 D7 | A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 3.45Å; K4-D6 PolarHBondContact O-N 2.93Å; K4-D6 VanDerWaalsContact O-N 3.13Å; K4-D7 PolarHBondContact N-OD2 3.37Å; K4-D7 WeakPolarHBondContact O-CB 3.45Å; K4-D7 PolarHBondContact O-N 2.9Å; K4-D7 VanDerWaalsContact O-N 3.12Å | ||
| 5 | A | 77.2 | Confident | 81.5 | Confident | 64 Ų | 64 | 94.9 Ų | 94.9 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -59.1 | -24.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | D7 L8 Y9 | A5-D7 VanDerWaalsContact C-N 3.26Å; A5-D7 PolarHBondContact O-N 3.16Å; A5-L8 WeakPolarHBondContact O-CB 3.27Å; A5-L8 PolarHBondContact O-N 3.24Å; A5-Y9 VanDerWaalsContact O-CE1 3.25Å; A5-Y9 WeakPolarHBondContact O-CE1 3.39Å |
| 6 | D | 80.5 | Confident | 82.3 | Confident | 95 Ų | 95 | 90.6 Ų | 90.6 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -68.7 | -23.6 | 179.9 | -55.2 | -32.1 | 0 | 0 | 0 | 113 | K4 L8 Y9 | K4-D6 PolarHBondContact O-N 2.93Å; K4-D6 VanDerWaalsContact O-N 3.13Å; D6-L8 PolarHBondContact O-N 3.12Å; D6-Y9 HydrophobicContact CB-CD2 4.19Å; D6-Y9 HydrophobicContact CB-CE2 3.88Å; D6-Y9 PolarHBondContact O-N 3.09Å; D6-Y9 WeakPolarHBondContact OD1-CE2 3.45Å; D6-Y9 PolarHBondContact OD1-OH 3.45Å |
| 7 | D | 84.3 | Confident | 83.1 | Confident | 116 Ų | 116 | 94.6 Ų | 94.6 | 62% | 0.62 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -72 | -14.6 | 177.3 | -56 | -26.9 | 0 | 0 | 0 | 112.2 | K4 A5 | K4-D7 PolarHBondContact N-OD2 3.37Å; K4-D7 WeakPolarHBondContact O-CB 3.45Å; K4-D7 PolarHBondContact O-N 2.9Å; K4-D7 VanDerWaalsContact O-N 3.12Å; A5-D7 VanDerWaalsContact C-N 3.26Å; A5-D7 PolarHBondContact O-N 3.16Å |
| 8 | L | 89 | Confident | 83.8 | Confident | 83 Ų | 83 | 93.9 Ų | 93.9 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -93.9 | -0.3 | 179.9 | -64.6 | 163.4 | 0 | 0 | 0 | 112.8 | A5 D6 S42 | A5-L8 WeakPolarHBondContact O-CB 3.27Å; A5-L8 PolarHBondContact O-N 3.24Å; D6-L8 PolarHBondContact O-N 3.12Å; L8-S42 PolarHBondContact O-OG 3.48Å |
| 9 | Y | 92.2 | Very high | 84.5 | Confident | 71 Ų | 71 | 90.1 Ų | 90.1 | 28% | 0.278 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 139.5 | -176.8 | -66.1 | -12.8 | 0 | 0 | 0 | 112 | A5 D6 S38 K39 S42 | A5-Y9 VanDerWaalsContact O-CE1 3.25Å; A5-Y9 WeakPolarHBondContact O-CE1 3.39Å; D6-Y9 HydrophobicContact CB-CD2 4.19Å; D6-Y9 HydrophobicContact CB-CE2 3.88Å; D6-Y9 PolarHBondContact O-N 3.09Å; D6-Y9 WeakPolarHBondContact OD1-CE2 3.45Å; D6-Y9 PolarHBondContact OD1-OH 3.45Å; Y9-S38 WeakPolarHBondContact CB-OG 3.4Å; Y9-K39 HydrophobicContact CD1-CG 4.42Å; Y9-K39 HydrophobicContact CE1-CB 4.34Å; Y9-K39 HydrophobicContact CE1-CG 3.74Å; Y9-K39 HydrophobicContact CE2-CG 3.83Å; Y9-K39 VanDerWaalsContact CZ-CG 3.47Å; Y9-S42 WeakPolarHBondContact CA-OG 3.2Å; Y9-S42 WeakPolarHBondContact CD1-OG 3.35Å |
| 10 | L | 91.1 | Very high | 85 | Confident | 71 Ų | 71 | 92.9 Ų | 92.9 | 37% | 0.372 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 145.3 | 177.6 | -60.3 | 177 | 0 | 0 | 0 | 110.6 | N12 S38 A41 | L10-N12 PolarHBondContact O-N 2.9Å; L10-S38 PolarHBondContact N-OG 3.49Å; L10-S38 PolarHBondContact O-OG 3.44Å; L10-A41 HydrophobicContact CD1-CB 3.93Å |
| 11 | P | 92.2 | Very high | 85.5 | Confident | 84 Ų | 84 | 95.2 Ų | 95.2 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 127.5 | 177.2 | -27.4 | 34.7 | 0 | 0 | 0 | 112.4 | A13 V14 L15 | P11-A13 PolarHBondContact O-N 3.07Å; P11-A13 VanDerWaalsContact O-N 3.15Å; P11-V14 HydrophobicContact CB-CB 4.5Å; P11-V14 HydrophobicContact CB-CG2 4.16Å; P11-V14 PolarHBondContact O-N 3.36Å; P11-V14 VanDerWaalsContact O-N 3.13Å; P11-L15 PolarHBondContact O-N 2.88Å; P11-L15 VanDerWaalsContact O-N 3.07Å |
| 12 | N | 91.5 | Very high | 88.2 | Confident | 86 Ų | 86 | 89 Ų | 89 | 46% | 0.46 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.9 | -32.2 | -174.5 | -78.7 | -47.2 | 0 | 0 | 0 | 113.4 | L10 L16 | L10-N12 PolarHBondContact O-N 2.9Å; N12-L16 VanDerWaalsContact O-CB 3.3Å; N12-L16 WeakPolarHBondContact O-CB 3.33Å; N12-L16 PolarHBondContact O-N 3.49Å |
| 13 | A | 93.2 | Very high | 90.1 | Very high | 75 Ų | 75 | 89.2 Ų | 89.2 | 62% | 0.62 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.5 | -45.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P11 L15 L16 R17 | P11-A13 PolarHBondContact O-N 3.07Å; P11-A13 VanDerWaalsContact O-N 3.15Å; A13-L15 VanDerWaalsContact C-N 3.33Å; A13-L16 PolarHBondContact O-N 3.21Å; A13-R17 PolarHBondContact O-N 3.37Å; A13-R17 VanDerWaalsContact O-N 3.11Å |
| 14 | V | 95.1 | Very high | 91.6 | Very high | 68 Ų | 68 | 85.9 Ų | 85.9 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 110 | P11 R17 I18 | P11-V14 HydrophobicContact CB-CB 4.5Å; P11-V14 HydrophobicContact CB-CG2 4.16Å; P11-V14 PolarHBondContact O-N 3.36Å; P11-V14 VanDerWaalsContact O-N 3.13Å; V14-R17 WeakPolarHBondContact O-CB 3.44Å; V14-R17 PolarHBondContact O-N 3.23Å; V14-I18 HydrophobicContact CG1-CD1 4.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.4Å; V14-I18 PolarHBondContact O-N 3.3Å |
| 15 | L | 94.8 | Very high | 92.2 | Very high | 11 Ų | 11 | 87.9 Ų | 87.9 | 6% | 0.058 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 178.9 | -170.9 | 66.4 | 0 | 0 | 0 | 112 | P11 A13 R17 I18 I19 R34 I37 | P11-L15 PolarHBondContact O-N 2.88Å; P11-L15 VanDerWaalsContact O-N 3.07Å; A13-L15 VanDerWaalsContact C-N 3.33Å; L15-R17 VanDerWaalsContact C-N 3.28Å; L15-R17 PolarHBondContact O-N 3.34Å; L15-I18 PolarHBondContact O-N 3.13Å; L15-I19 HydrophobicContact CD1-CD1 4.49Å; L15-I19 HydrophobicContact CD2-CD1 4.29Å; L15-I19 HydrophobicContact CG-CD1 3.8Å; L15-I19 HydrophobicContact CG-CG1 4.37Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.1Å; L15-R34 WeakPolarHBondContact CD2-O 3.46Å; L15-I37 HydrophobicContact CD1-CG2 3.88Å; L15-I37 HydrophobicContact CD2-CB 4.08Å; L15-I37 HydrophobicContact CD2-CG2 3.94Å; L15-I37 HydrophobicContact CG-CG2 4.23Å |
| 16 | L | 94.8 | Very high | 92.7 | Very high | 27 Ų | 27 | 96 Ų | 96 | 14% | 0.141 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -61 | -37.9 | 177.2 | 177 | 58.4 | 0 | 0 | 0 | 111.9 | N12 A13 I19 R20 V29 | N12-L16 VanDerWaalsContact O-CB 3.3Å; N12-L16 WeakPolarHBondContact O-CB 3.33Å; N12-L16 PolarHBondContact O-N 3.49Å; A13-L16 PolarHBondContact O-N 3.21Å; L16-I19 PolarHBondContact O-N 3.32Å; L16-R20 HydrophobicContact CD1-CG 3.97Å; L16-R20 HydrophobicContact CG-CG 4.48Å; L16-R20 WeakPolarHBondContact O-CB 3.44Å; L16-R20 WeakPolarHBondContact O-CG 3.49Å; L16-R20 PolarHBondContact O-N 2.72Å; L16-V29 HydrophobicContact CD1-CB 4.29Å; L16-V29 HydrophobicContact CD1-CG2 4.43Å |
| 17 | R | 95.4 | Very high | 93.4 | Very high | 158 Ų | 158 | 94 Ų | 94 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60 | -50.8 | 175.1 | -176.2 | 176 | 65.7 | 174.1 | 1.1 | 111 | A13 V14 L15 I19 R20 E21 | A13-R17 PolarHBondContact O-N 3.37Å; A13-R17 VanDerWaalsContact O-N 3.11Å; V14-R17 WeakPolarHBondContact O-CB 3.44Å; V14-R17 PolarHBondContact O-N 3.23Å; L15-R17 VanDerWaalsContact C-N 3.28Å; L15-R17 PolarHBondContact O-N 3.34Å; R17-I19 VanDerWaalsContact C-N 3.35Å; R17-I19 PolarHBondContact O-N 2.73Å; R17-R20 PolarHBondContact O-N 3.33Å; R17-E21 WeakPolarHBondContact CG-OE1 3.44Å; R17-E21 WeakPolarHBondContact O-CG 3.41Å; R17-E21 PolarHBondContact O-N 2.67Å |
| 18 | I | 96.8 | Very high | 93.9 | Very high | 83 Ų | 83 | 96 Ų | 96 | 43% | 0.426 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 178.8 | -63.3 | 167.4 | 0 | 0 | 0 | 111.4 | V14 L15 R20 E21 S22 | V14-I18 HydrophobicContact CG1-CD1 4.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.4Å; V14-I18 PolarHBondContact O-N 3.3Å; L15-I18 PolarHBondContact O-N 3.13Å; I18-R20 PolarHBondContact O-N 3.41Å; I18-E21 PolarHBondContact O-N 3.22Å; I18-S22 PolarHBondContact O-N 2.87Å; I18-S22 PolarHBondContact O-OG 2.94Å; I18-S22 VanDerWaalsContact O-OG 3.1Å |
| 19 | I | 96.6 | Very high | 94.2 | Very high | 20 Ų | 20 | 93.4 Ų | 93.4 | 10% | 0.103 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 178.1 | -66 | 163.5 | 0 | 0 | 0 | 110.4 | L15 L16 R17 E21 S22 L23 V29 R34 I37 | L15-I19 HydrophobicContact CD1-CD1 4.49Å; L15-I19 HydrophobicContact CD2-CD1 4.29Å; L15-I19 HydrophobicContact CG-CD1 3.8Å; L15-I19 HydrophobicContact CG-CG1 4.37Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.1Å; L16-I19 PolarHBondContact O-N 3.32Å; R17-I19 VanDerWaalsContact C-N 3.35Å; R17-I19 PolarHBondContact O-N 2.73Å; I19-E21 VanDerWaalsContact C-N 3.35Å; I19-E21 PolarHBondContact O-N 2.79Å; I19-S22 WeakPolarHBondContact O-CB 3.42Å; I19-S22 PolarHBondContact O-N 3.35Å; I19-S22 VanDerWaalsContact O-N 3.08Å; I19-L23 HydrophobicContact CG2-CD1 3.63Å; I19-L23 HydrophobicContact CG2-CG 4.38Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.23Å; I19-V29 HydrophobicContact CG2-CG1 4.26Å; I19-V29 HydrophobicContact CG2-CG2 3.74Å; I19-R34 HydrophobicContact CD1-CG 4.49Å; I19-I37 HydrophobicContact CD1-CB 4.39Å; I19-I37 HydrophobicContact CD1-CD1 3.52Å; I19-I37 HydrophobicContact CD1-CG2 4.28Å; I19-I37 HydrophobicContact CG1-CD1 4.05Å |
| 20 | R | 95.1 | Very high | 94.3 | Very high | 147 Ų | 147 | 93.1 Ų | 93.1 | 56% | 0.555 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.4 | -34.9 | -180 | -77.8 | 178.6 | 172.7 | 175.1 | 0.3 | 112.9 | L16 R17 I18 S22 L23 | L16-R20 HydrophobicContact CD1-CG 3.97Å; L16-R20 HydrophobicContact CG-CG 4.48Å; L16-R20 WeakPolarHBondContact O-CB 3.44Å; L16-R20 WeakPolarHBondContact O-CG 3.49Å; L16-R20 PolarHBondContact O-N 2.72Å; R17-R20 PolarHBondContact O-N 3.33Å; I18-R20 PolarHBondContact O-N 3.41Å; R20-S22 PolarHBondContact O-N 3.48Å; R20-L23 PolarHBondContact O-N 3.47Å; R20-L23 VanDerWaalsContact O-O 3.07Å |
| 21 | E | 95.9 | Very high | 94.4 | Very high | 141 Ų | 141 | 99.7 Ų | 99.7 | 66% | 0.659 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.4 | -22.5 | 172.8 | -72.4 | 168 | -168.3 | 0 | 0 | 112.4 | R17 I18 I19 | R17-E21 WeakPolarHBondContact CG-OE1 3.44Å; R17-E21 WeakPolarHBondContact O-CG 3.41Å; R17-E21 PolarHBondContact O-N 2.67Å; I18-E21 PolarHBondContact O-N 3.22Å; I19-E21 VanDerWaalsContact C-N 3.35Å; I19-E21 PolarHBondContact O-N 2.79Å |
| 22 | S | 95.9 | Very high | 94.6 | Very high | 95 Ų | 95 | 103.5 Ų | 103.5 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 0.7 | 179.7 | -52.3 | 0 | 0 | 0 | 0 | 113.9 | I18 I19 R20 | I18-S22 PolarHBondContact O-N 2.87Å; I18-S22 PolarHBondContact O-OG 2.94Å; I18-S22 VanDerWaalsContact O-OG 3.1Å; I19-S22 WeakPolarHBondContact O-CB 3.42Å; I19-S22 PolarHBondContact O-N 3.35Å; I19-S22 VanDerWaalsContact O-N 3.08Å; R20-S22 PolarHBondContact O-N 3.48Å |
| 23 | L | 96.6 | Very high | 94.8 | Very high | 70 Ų | 70 | 101.2 Ų | 101.2 | 37% | 0.366 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -125.4 | 154.3 | -174.9 | -65 | 175.1 | 0 | 0 | 0 | 110.9 | I19 R20 T27 V29 | I19-L23 HydrophobicContact CG2-CD1 3.63Å; I19-L23 HydrophobicContact CG2-CG 4.38Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.23Å; R20-L23 PolarHBondContact O-N 3.47Å; R20-L23 VanDerWaalsContact O-O 3.07Å; L23-T27 HydrophobicContact CB-CG2 4.29Å; L23-T27 HydrophobicContact CD1-CG2 3.87Å; L23-V29 HydrophobicContact CD1-CG2 3.74Å |
| 24 | P | 96.8 | Very high | 94.9 | Very high | 101 Ų | 101 | 100.7 Ų | 100.7 | 66% | 0.656 | 49% | 0.488 | S | S | * | . | trans | -56.6 | 151 | 172.5 | -24.2 | 34.1 | 0 | 0 | 0 | 112.3 | R26 T27 | P24-R26 PolarHBondContact O-N 3.05Å; P24-T27 WeakPolarHBondContact O-CB 3.28Å; P24-T27 PolarHBondContact O-N 3.01Å; P24-T27 VanDerWaalsContact O-N 3.17Å; P24-T27 PolarHBondContact O-OG1 3.33Å | ||
| 25 | E | 90.7 | Very high | 94.7 | Very high | 180 Ų | 180 | 99.6 Ų | 99.6 | 84% | 0.841 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 139.7 | 176.3 | -63.9 | -173.1 | 179.1 | 0 | 0 | 111.2 | T27 | E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 3.22Å |
| 26 | R | 89.2 | Confident | 94.7 | Very high | 233 Ų | 233 | 101.7 Ų | 101.7 | 88% | 0.879 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 6.5 | -179.2 | -48.1 | 174 | -178 | -91.1 | -3.3 | 116.3 | P24 L28 | P24-R26 PolarHBondContact O-N 3.05Å; R26-L28 PolarHBondContact O-N 2.73Å |
| 27 | T | 94.9 | Very high | 94.8 | Very high | 54 Ų | 54 | 103.7 Ų | 103.7 | 33% | 0.331 | 51% | 0.512 | S | S | . | . | trans | -65.5 | 128.3 | 172.6 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | L23 P24 E25 | L23-T27 HydrophobicContact CB-CG2 4.29Å; L23-T27 HydrophobicContact CD1-CG2 3.87Å; P24-T27 WeakPolarHBondContact O-CB 3.28Å; P24-T27 PolarHBondContact O-N 3.01Å; P24-T27 VanDerWaalsContact O-N 3.17Å; P24-T27 PolarHBondContact O-OG1 3.33Å; E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 3.22Å | ||
| 28 | L | 93.7 | Very high | 94.8 | Very high | 158 Ų | 158 | 96.2 Ų | 96.2 | 83% | 0.827 | 49% | 0.485 | S | S | * | . | trans | -89 | 138.1 | 177.6 | -59.4 | -179.7 | 0 | 0 | 0 | 111 | R26 | R26-L28 PolarHBondContact O-N 2.73Š| ||
| 29 | V | 95 | Very high | 94.6 | Very high | 28 Ų | 28 | 97.2 Ų | 97.2 | 17% | 0.17 | 49% | 0.486 | C | S | . | . | trans | -120.3 | 118.7 | 178.4 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | L16 I19 L23 A33 R34 | L16-V29 HydrophobicContact CD1-CB 4.29Å; L16-V29 HydrophobicContact CD1-CG2 4.43Å; I19-V29 HydrophobicContact CG2-CG1 4.26Å; I19-V29 HydrophobicContact CG2-CG2 3.74Å; L23-V29 HydrophobicContact CD1-CG2 3.74Å; V29-A33 HydrophobicContact CG1-CB 4.04Å; V29-R34 HydrophobicContact CG1-CG 3.84Å | ||
| 30 | S | 95.6 | Very high | 94.6 | Very high | 66 Ų | 66 | 100 Ų | 100 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | trans | -64.3 | 157.3 | -177.8 | 76.3 | 0 | 0 | 0 | 0 | 111.9 | E32 A33 R34 | S30-E32 VanDerWaalsContact C-N 3.27Å; S30-E32 PolarHBondContact O-N 2.95Å; S30-A33 PolarHBondContact O-N 3.31Å; S30-A33 VanDerWaalsContact OG-CB 3.32Å; S30-A33 WeakPolarHBondContact OG-CB 3.26Å; S30-A33 PolarHBondContact OG-N 3.29Å; S30-R34 WeakPolarHBondContact O-CG 3.42Å; S30-R34 PolarHBondContact O-N 3.39Å; S30-R34 VanDerWaalsContact O-N 3.11Å | ||
| 31 | R | 93.6 | Very high | 94.7 | Very high | 209 Ų | 209 | 94.1 Ų | 94.1 | 79% | 0.789 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.4 | -39.3 | 174.9 | -174.9 | -179.5 | 178.2 | -137.7 | 2.6 | 111.7 | R34 S35 | R31-R34 PolarHBondContact O-N 3.38Å; R31-S35 PolarHBondContact O-N 3.23Å |
| 32 | E | 95.1 | Very high | 94.6 | Very high | 164 Ų | 164 | 87.7 Ų | 87.7 | 77% | 0.766 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.8 | -44.6 | 177.9 | -174.1 | 174.3 | -163.9 | 0 | 0 | 111.7 | S30 R34 S35 A36 | S30-E32 VanDerWaalsContact C-N 3.27Å; S30-E32 PolarHBondContact O-N 2.95Å; E32-R34 VanDerWaalsContact C-N 3.34Å; E32-R34 PolarHBondContact O-N 3.25Å; E32-S35 PolarHBondContact O-N 3.31Å; E32-A36 WeakPolarHBondContact O-CB 3.41Å; E32-A36 PolarHBondContact O-N 3.16Å |
| 33 | A | 95.8 | Very high | 94.6 | Very high | 37 Ų | 37 | 86.9 Ų | 86.9 | 31% | 0.306 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V29 S30 S35 A36 I37 | V29-A33 HydrophobicContact CG1-CB 4.04Å; S30-A33 PolarHBondContact O-N 3.31Å; S30-A33 VanDerWaalsContact OG-CB 3.32Å; S30-A33 WeakPolarHBondContact OG-CB 3.26Å; S30-A33 PolarHBondContact OG-N 3.29Å; A33-S35 PolarHBondContact O-N 2.98Å; A33-A36 PolarHBondContact O-N 3.12Å; A33-I37 VanDerWaalsContact O-CG1 3.29Å; A33-I37 WeakPolarHBondContact O-CG1 3.33Å; A33-I37 PolarHBondContact O-N 3.27Å |
| 34 | R | 94.6 | Very high | 94.6 | Very high | 65 Ų | 65 | 87 Ų | 87 | 25% | 0.245 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 174.4 | -72.9 | -177.2 | -83.4 | 167.7 | -1.7 | 112.1 | L15 I19 V29 S30 R31 E32 A36 I37 S38 | L15-R34 WeakPolarHBondContact CD2-O 3.46Å; I19-R34 HydrophobicContact CD1-CG 4.49Å; V29-R34 HydrophobicContact CG1-CG 3.84Å; S30-R34 WeakPolarHBondContact O-CG 3.42Å; S30-R34 PolarHBondContact O-N 3.39Å; S30-R34 VanDerWaalsContact O-N 3.11Å; R31-R34 PolarHBondContact O-N 3.38Å; E32-R34 VanDerWaalsContact C-N 3.34Å; E32-R34 PolarHBondContact O-N 3.25Å; R34-A36 PolarHBondContact O-N 2.97Å; R34-I37 PolarHBondContact O-N 3.09Å; R34-S38 WeakPolarHBondContact O-CB 3.27Å; R34-S38 PolarHBondContact O-N 3.29Å |
| 35 | S | 92.6 | Very high | 94.6 | Very high | 44 Ų | 44 | 86.1 Ų | 86.1 | 31% | 0.308 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | R31 E32 A33 S38 K39 | R31-S35 PolarHBondContact O-N 3.23Å; E32-S35 PolarHBondContact O-N 3.31Å; A33-S35 PolarHBondContact O-N 2.98Å; S35-S38 PolarHBondContact O-N 2.93Å; S35-K39 WeakPolarHBondContact O-CG 3.31Å; S35-K39 PolarHBondContact O-N 2.99Å |
| 36 | A | 94.7 | Very high | 94.8 | Very high | 55 Ų | 55 | 82.4 Ų | 82.4 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E32 A33 R34 S38 K39 S40 | E32-A36 WeakPolarHBondContact O-CB 3.41Å; E32-A36 PolarHBondContact O-N 3.16Å; A33-A36 PolarHBondContact O-N 3.12Å; R34-A36 PolarHBondContact O-N 2.97Å; A36-S38 VanDerWaalsContact C-N 3.35Å; A36-K39 PolarHBondContact O-N 2.86Å; A36-S40 WeakPolarHBondContact O-CB 3.28Å; A36-S40 PolarHBondContact O-N 3.39Å |
| 37 | I | 96.4 | Very high | 95.1 | Very high | 69 Ų | 69 | 77.3 Ų | 77.3 | 35% | 0.354 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 176.4 | -64.4 | 166.2 | 0 | 0 | 0 | 110.3 | L15 I19 A33 R34 K39 S40 A41 | L15-I37 HydrophobicContact CD1-CG2 3.88Å; L15-I37 HydrophobicContact CD2-CB 4.08Å; L15-I37 HydrophobicContact CD2-CG2 3.94Å; L15-I37 HydrophobicContact CG-CG2 4.23Å; I19-I37 HydrophobicContact CD1-CB 4.39Å; I19-I37 HydrophobicContact CD1-CD1 3.52Å; I19-I37 HydrophobicContact CD1-CG2 4.28Å; I19-I37 HydrophobicContact CG1-CD1 4.05Å; A33-I37 VanDerWaalsContact O-CG1 3.29Å; A33-I37 WeakPolarHBondContact O-CG1 3.33Å; A33-I37 PolarHBondContact O-N 3.27Å; R34-I37 PolarHBondContact O-N 3.09Å; I37-K39 PolarHBondContact O-N 3.47Å; I37-S40 PolarHBondContact O-N 2.95Å; I37-A41 WeakPolarHBondContact O-CB 3.47Å; I37-A41 PolarHBondContact O-N 3.43Å |
| 38 | S | 95 | Very high | 95.3 | Very high | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.014 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 177.4 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | Y9 L10 R34 S35 A36 S40 A41 S42 | Y9-S38 WeakPolarHBondContact CB-OG 3.4Å; L10-S38 PolarHBondContact N-OG 3.49Å; L10-S38 PolarHBondContact O-OG 3.44Å; R34-S38 WeakPolarHBondContact O-CB 3.27Å; R34-S38 PolarHBondContact O-N 3.29Å; S35-S38 PolarHBondContact O-N 2.93Å; A36-S38 VanDerWaalsContact C-N 3.35Å; S38-S40 VanDerWaalsContact C-N 3.34Å; S38-S40 PolarHBondContact O-N 3.05Å; S38-A41 PolarHBondContact O-N 2.78Å; S38-S42 PolarHBondContact O-N 2.95Å; S38-S42 VanDerWaalsContact O-N 3.08Å; S38-S42 PolarHBondContact O-OG 3.45Å |
| 39 | K | 93.8 | Very high | 95.5 | Very high | 103 Ų | 103 | 70.7 Ų | 70.7 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 173.2 | -72.8 | 170.9 | -179.7 | 179.6 | 0 | 112.3 | Y9 S35 A36 I37 S42 S43 | Y9-K39 HydrophobicContact CD1-CG 4.42Å; Y9-K39 HydrophobicContact CE1-CB 4.34Å; Y9-K39 HydrophobicContact CE1-CG 3.74Å; Y9-K39 HydrophobicContact CE2-CG 3.83Å; Y9-K39 VanDerWaalsContact CZ-CG 3.47Å; S35-K39 WeakPolarHBondContact O-CG 3.31Å; S35-K39 PolarHBondContact O-N 2.99Å; A36-K39 PolarHBondContact O-N 2.86Å; I37-K39 PolarHBondContact O-N 3.47Å; K39-S42 PolarHBondContact O-N 3.49Å; K39-S43 PolarHBondContact O-N 3.13Å |
| 40 | S | 95.4 | Very high | 95.6 | Very high | 79 Ų | 79 | 72.6 Ų | 72.6 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.8 | -39.3 | 178.6 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | A36 I37 S38 S43 F44 | A36-S40 WeakPolarHBondContact O-CB 3.28Å; A36-S40 PolarHBondContact O-N 3.39Å; I37-S40 PolarHBondContact O-N 2.95Å; S38-S40 VanDerWaalsContact C-N 3.34Å; S38-S40 PolarHBondContact O-N 3.05Å; S40-S43 PolarHBondContact O-N 3.31Å; S40-F44 WeakPolarHBondContact O-CB 3.35Å; S40-F44 PolarHBondContact O-N 3.42Å |
| 41 | A | 96.5 | Very high | 95.7 | Very high | 23 Ų | 23 | 70.3 Ų | 70.3 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L10 I37 S38 F44 I45 | L10-A41 HydrophobicContact CD1-CB 3.93Å; I37-A41 WeakPolarHBondContact O-CB 3.47Å; I37-A41 PolarHBondContact O-N 3.43Å; S38-A41 PolarHBondContact O-N 2.78Å; A41-F44 WeakPolarHBondContact O-CB 3.39Å; A41-F44 PolarHBondContact O-N 3Å; A41-I45 WeakPolarHBondContact O-CG1 3.32Å; A41-I45 PolarHBondContact O-N 3.24Å |
| 42 | S | 95.3 | Very high | 95.9 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 5% | 0.049 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.6 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | L8 Y9 S38 K39 F44 I45 L46 | L8-S42 PolarHBondContact O-OG 3.48Å; Y9-S42 WeakPolarHBondContact CA-OG 3.2Å; Y9-S42 WeakPolarHBondContact CD1-OG 3.35Å; S38-S42 PolarHBondContact O-N 2.95Å; S38-S42 VanDerWaalsContact O-N 3.08Å; S38-S42 PolarHBondContact O-OG 3.45Å; K39-S42 PolarHBondContact O-N 3.49Å; S42-F44 VanDerWaalsContact C-N 3.28Å; S42-F44 PolarHBondContact O-N 2.9Å; S42-I45 PolarHBondContact O-N 3.41Å; S42-L46 WeakPolarHBondContact O-CG 3.3Å; S42-L46 PolarHBondContact O-N 3.23Å |
| 43 | S | 94.4 | Very high | 96.1 | Very high | 77 Ų | 77 | 54.2 Ų | 54.2 | 54% | 0.538 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 174 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | K39 S40 Y47 | K39-S43 PolarHBondContact O-N 3.13Å; S40-S43 PolarHBondContact O-N 3.31Å; S43-Y47 VanDerWaalsContact O-CB 3.31Å; S43-Y47 WeakPolarHBondContact O-CB 3.31Å; S43-Y47 PolarHBondContact O-N 3.49Å |
| 44 | F | 97.2 | Very high | 96.2 | Very high | 73 Ų | 73 | 56.2 Ų | 56.2 | 32% | 0.32 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -48 | 176.8 | 175.4 | -95 | 0 | 0 | 0 | 111.4 | S40 A41 S42 L46 Y47 V48 L73 M76 F78 | S40-F44 WeakPolarHBondContact O-CB 3.35Å; S40-F44 PolarHBondContact O-N 3.42Å; A41-F44 WeakPolarHBondContact O-CB 3.39Å; A41-F44 PolarHBondContact O-N 3Å; S42-F44 VanDerWaalsContact C-N 3.28Å; S42-F44 PolarHBondContact O-N 2.9Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-L46 PolarHBondContact O-N 2.99Å; F44-Y47 PolarHBondContact O-N 3.45Å; F44-V48 HydrophobicContact CD1-CG2 4.14Å; F44-V48 HydrophobicContact CD2-CG2 4.21Å; F44-V48 HydrophobicContact CE1-CG2 3.79Å; F44-V48 HydrophobicContact CE2-CG2 3.86Å; F44-V48 HydrophobicContact CG-CG2 4.35Å; F44-V48 HydrophobicContact CZ-CG2 3.64Å; F44-V48 VanDerWaalsContact O-CG2 3.31Å; F44-V48 WeakPolarHBondContact O-CG2 3.4Å; F44-V48 PolarHBondContact O-N 3.05Å; F44-L73 HydrophobicContact CE2-CD2 4.38Å; F44-L73 HydrophobicContact CZ-CD2 3.75Å; F44-M76 HydrophobicContact CD2-CE 3.76Å; F44-M76 HydrophobicContact CE2-CE 3.59Å; F44-F78 HydrophobicContact CD2-CE2 4.28Å; F44-F78 AromaticContact CE2-CD2 3.89Å; F44-F78 HydrophobicContact CE2-CD2 3.89Å; F44-F78 AromaticContact CE2-CE2 3.67Å; F44-F78 HydrophobicContact CE2-CE2 3.67Å; F44-F78 HydrophobicContact CE2-CZ 4.16Å |
| 45 | I | 96.3 | Very high | 96.2 | Very high | 83 Ų | 83 | 54.7 Ų | 54.7 | 43% | 0.426 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 177.7 | -66.9 | 163.5 | 0 | 0 | 0 | 110.5 | A41 S42 Y47 T49 | A41-I45 WeakPolarHBondContact O-CG1 3.32Å; A41-I45 PolarHBondContact O-N 3.24Å; S42-I45 PolarHBondContact O-N 3.41Å; I45-Y47 VanDerWaalsContact C-N 3.34Å; I45-Y47 PolarHBondContact O-N 2.69Å; I45-T49 VanDerWaalsContact O-CB 3.28Å; I45-T49 WeakPolarHBondContact O-CB 3.34Å; I45-T49 PolarHBondContact O-N 3.06Å; I45-T49 PolarHBondContact O-OG1 3.2Å |
| 46 | L | 95.2 | Very high | 96.5 | Very high | 102 Ų | 102 | 52.9 Ų | 52.9 | 53% | 0.534 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 178.9 | -68.4 | 174.3 | 0 | 0 | 0 | 111.8 | S42 F44 T49 S50 | S42-L46 WeakPolarHBondContact O-CG 3.3Å; S42-L46 PolarHBondContact O-N 3.23Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-L46 PolarHBondContact O-N 2.99Å; L46-T49 PolarHBondContact O-N 3.46Å; L46-S50 WeakPolarHBondContact O-CB 3.33Å; L46-S50 PolarHBondContact O-N 2.94Å |
| 47 | Y | 97 | Very high | 96.6 | Very high | 126 Ų | 126 | 56.8 Ų | 56.8 | 49% | 0.494 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.2 | -45.6 | -178 | -171.9 | -125.8 | 0 | 0 | 0 | 112.6 | S43 F44 I45 T49 S50 L51 M76 | S43-Y47 VanDerWaalsContact O-CB 3.31Å; S43-Y47 WeakPolarHBondContact O-CB 3.31Å; S43-Y47 PolarHBondContact O-N 3.49Å; F44-Y47 PolarHBondContact O-N 3.45Å; I45-Y47 VanDerWaalsContact C-N 3.34Å; I45-Y47 PolarHBondContact O-N 2.69Å; Y47-T49 VanDerWaalsContact C-N 3.3Å; Y47-T49 PolarHBondContact O-N 2.97Å; Y47-S50 WeakPolarHBondContact O-CB 3.48Å; Y47-S50 PolarHBondContact O-N 3.11Å; Y47-L51 HydrophobicContact CD1-CD1 4.3Å; Y47-L51 HydrophobicContact CE1-CD1 3.78Å; Y47-L51 HydrophobicContact CE2-CD1 4.17Å; Y47-L51 HydrophobicContact CE2-CG 4.22Å; Y47-L51 PolarHBondContact O-N 3.07Å; Y47-M76 HydrophobicContact CD1-CE 3.51Å; Y47-M76 HydrophobicContact CD1-CG 4.11Å; Y47-M76 HydrophobicContact CD1-SD 3.63Å; Y47-M76 HydrophobicContact CE1-CE 4.02Å; Y47-M76 HydrophobicContact CE1-CG 3.73Å; Y47-M76 HydrophobicContact CE1-SD 3.91Å |
| 48 | V | 98.1 | Very high | 96.6 | Very high | 11 Ų | 11 | 62 Ų | 62 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | 173.8 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | F44 S50 L51 A52 I69 A72 L73 M76 | F44-V48 HydrophobicContact CD1-CG2 4.14Å; F44-V48 HydrophobicContact CD2-CG2 4.21Å; F44-V48 HydrophobicContact CE1-CG2 3.79Å; F44-V48 HydrophobicContact CE2-CG2 3.86Å; F44-V48 HydrophobicContact CG-CG2 4.35Å; F44-V48 HydrophobicContact CZ-CG2 3.64Å; F44-V48 VanDerWaalsContact O-CG2 3.31Å; F44-V48 WeakPolarHBondContact O-CG2 3.4Å; F44-V48 PolarHBondContact O-N 3.05Å; V48-S50 VanDerWaalsContact C-N 3.34Å; V48-S50 PolarHBondContact O-N 3.27Å; V48-L51 PolarHBondContact O-N 3.43Å; V48-A52 VanDerWaalsContact O-CB 3.27Å; V48-A52 WeakPolarHBondContact O-CB 3.32Å; V48-A52 PolarHBondContact O-N 2.96Å; V48-I69 HydrophobicContact CG1-CD1 4.42Å; V48-I69 HydrophobicContact CG1-CG2 4.08Å; V48-A72 HydrophobicContact CG1-CB 4.46Å; V48-L73 HydrophobicContact CG1-CD2 4.5Å; V48-L73 HydrophobicContact CG2-CD2 3.97Å; V48-M76 HydrophobicContact CB-SD 4.26Å; V48-M76 HydrophobicContact CG2-CE 3.67Å; V48-M76 HydrophobicContact CG2-SD 3.46Å; V48-M76 WeakPolarHBondContact CG2-SD 3.35Å |
| 49 | T | 97.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 65 Ų | 65 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 179.7 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | I45 L46 Y47 S53 | I45-T49 VanDerWaalsContact O-CB 3.28Å; I45-T49 WeakPolarHBondContact O-CB 3.34Å; I45-T49 PolarHBondContact O-N 3.06Å; I45-T49 PolarHBondContact O-OG1 3.2Å; L46-T49 PolarHBondContact O-N 3.46Å; Y47-T49 VanDerWaalsContact C-N 3.3Å; Y47-T49 PolarHBondContact O-N 2.97Å; T49-S53 WeakPolarHBondContact O-CB 3.36Å; T49-S53 PolarHBondContact O-N 3.21Å; T49-S53 PolarHBondContact O-OG 2.84Å |
| 50 | S | 97.6 | Very high | 96.8 | Very high | 68 Ų | 68 | 69.7 Ų | 69.7 | 48% | 0.476 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 176 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | L46 Y47 V48 S53 V54 | L46-S50 WeakPolarHBondContact O-CB 3.33Å; L46-S50 PolarHBondContact O-N 2.94Å; Y47-S50 WeakPolarHBondContact O-CB 3.48Å; Y47-S50 PolarHBondContact O-N 3.11Å; V48-S50 VanDerWaalsContact C-N 3.34Å; V48-S50 PolarHBondContact O-N 3.27Å; S50-S53 WeakPolarHBondContact O-CB 3.48Å; S50-S53 PolarHBondContact O-N 3.38Å; S50-V54 PolarHBondContact O-N 3.01Å |
| 51 | L | 97.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 69.6 Ų | 69.6 | 10% | 0.099 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 180 | -73.1 | 177 | 0 | 0 | 0 | 112.2 | Y47 V48 S53 V54 H55 A72 M76 | Y47-L51 HydrophobicContact CD1-CD1 4.3Å; Y47-L51 HydrophobicContact CE1-CD1 3.78Å; Y47-L51 HydrophobicContact CE2-CD1 4.17Å; Y47-L51 HydrophobicContact CE2-CG 4.22Å; Y47-L51 PolarHBondContact O-N 3.07Å; V48-L51 PolarHBondContact O-N 3.43Å; L51-S53 PolarHBondContact O-N 3.41Å; L51-V54 WeakPolarHBondContact O-CB 3.44Å; L51-V54 PolarHBondContact O-N 3.06Å; L51-V54 VanDerWaalsContact O-N 3.1Å; L51-H55 PolarHBondContact O-CD2 3.16Å; L51-H55 VanDerWaalsContact O-CD2 3.3Å; L51-H55 PolarHBondContact O-N 3.13Å; L51-H55 VanDerWaalsContact O-N 3.13Å; L51-A72 HydrophobicContact CB-CB 3.7Å; L51-M76 HydrophobicContact CD1-CG 3.33Å; L51-M76 HydrophobicContact CD1-SD 3.74Å |
| 52 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.8 | -36.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V48 V54 H55 C56 L64 D68 I69 A72 | V48-A52 VanDerWaalsContact O-CB 3.27Å; V48-A52 WeakPolarHBondContact O-CB 3.32Å; V48-A52 PolarHBondContact O-N 2.96Å; A52-V54 VanDerWaalsContact C-N 3.32Å; A52-V54 PolarHBondContact O-N 3.33Å; A52-H55 PolarHBondContact O-N 3.45Å; A52-C56 WeakPolarHBondContact O-CB 3.48Å; A52-C56 PolarHBondContact O-N 2.98Å; A52-L64 VanDerWaalsContact C-CD2 3.41Å; A52-L64 HydrophobicContact CB-CD2 3.64Å; A52-L64 WeakPolarHBondContact O-CD2 3.09Å; A52-D68 HydrophobicContact CB-CB 4.07Å; A52-I69 HydrophobicContact CB-CD1 3.65Å; A52-I69 HydrophobicContact CB-CG1 4.5Å; A52-A72 HydrophobicContact CB-CB 4.03Å |
| 53 | S | 98.1 | Very high | 96.9 | Very high | 34 Ų | 34 | 83.3 Ų | 83.3 | 24% | 0.238 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | T49 S50 L51 H55 C56 E57 | T49-S53 WeakPolarHBondContact O-CB 3.36Å; T49-S53 PolarHBondContact O-N 3.21Å; T49-S53 PolarHBondContact O-OG 2.84Å; S50-S53 WeakPolarHBondContact O-CB 3.48Å; S50-S53 PolarHBondContact O-N 3.38Å; L51-S53 PolarHBondContact O-N 3.41Å; S53-H55 VanDerWaalsContact C-N 3.35Å; S53-H55 PolarHBondContact O-N 3.39Å; S53-C56 WeakPolarHBondContact O-CB 3.46Å; S53-C56 PolarHBondContact O-N 3.47Å; S53-E57 WeakPolarHBondContact O-CB 3.42Å; S53-E57 WeakPolarHBondContact O-CG 3.35Å; S53-E57 PolarHBondContact O-N 3.36Å |
| 54 | V | 97.7 | Very high | 97 | Very high | 80 Ų | 80 | 83.2 Ų | 83.2 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 174.2 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | S50 L51 A52 K58 | S50-V54 PolarHBondContact O-N 3.01Å; L51-V54 WeakPolarHBondContact O-CB 3.44Å; L51-V54 PolarHBondContact O-N 3.06Å; L51-V54 VanDerWaalsContact O-N 3.1Å; A52-V54 VanDerWaalsContact C-N 3.32Å; A52-V54 PolarHBondContact O-N 3.33Å; V54-K58 VanDerWaalsContact O-CB 3.27Å; V54-K58 WeakPolarHBondContact O-CB 3.49Å; V54-K58 PolarHBondContact O-N 3.12Å |
| 55 | H | 96.4 | Very high | 97 | Very high | 33 Ų | 33 | 82.2 Ų | 82.2 | 15% | 0.153 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.2 | -40 | 175.9 | -65.1 | -53.2 | 0 | 0 | 0 | 113 | L51 A52 S53 K58 S59 D68 A72 E75 | L51-H55 PolarHBondContact O-CD2 3.16Å; L51-H55 VanDerWaalsContact O-CD2 3.3Å; L51-H55 PolarHBondContact O-N 3.13Å; L51-H55 VanDerWaalsContact O-N 3.13Å; A52-H55 PolarHBondContact O-N 3.45Å; S53-H55 VanDerWaalsContact C-N 3.35Å; S53-H55 PolarHBondContact O-N 3.39Å; H55-K58 PolarHBondContact O-N 3.32Å; H55-S59 PolarHBondContact O-N 2.94Å; H55-S59 VanDerWaalsContact O-N 3.09Å; H55-S59 PolarHBondContact O-OG 2.91Å; H55-D68 HydrophobicContact CB-CB 4.33Å; H55-A72 PolarHBondContact CD2-N 3.37Å; H55-A72 PolarHBondContact NE2-N 3.24Å; H55-E75 IonicContact CE1-OE2 3.21Å; H55-E75 PolarHBondContact CE1-OE2 3.3Å; H55-E75 IonicContact NE2-OE2 3.49Å; H55-E75 PolarHBondContact NE2-OE2 3Å |
| 56 | C | 97.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 79.7 Ų | 79.7 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | A52 S53 S59 K60 R61 T63 L64 D68 | A52-C56 WeakPolarHBondContact O-CB 3.48Å; A52-C56 PolarHBondContact O-N 2.98Å; S53-C56 WeakPolarHBondContact O-CB 3.46Å; S53-C56 PolarHBondContact O-N 3.47Å; C56-S59 CarbonylContact O-C 3.53Å; C56-S59 WeakPolarHBondContact O-CB 3.49Å; C56-S59 PolarHBondContact O-N 3.11Å; C56-S59 VanDerWaalsContact O-N 3.12Å; C56-K60 PolarHBondContact O-N 2.92Å; C56-R61 PolarHBondContact O-N 3.45Å; C56-R61 PolarHBondContact SG-O 3.04Å; C56-R61 VanDerWaalsContact SG-O 3.34Å; C56-T63 PolarHBondContact SG-O 3.44Å; C56-L64 HydrophobicContact CB-CD2 3.95Å; C56-L64 HydrophobicContact CB-CG 4.42Å; C56-D68 PolarHBondContact N-OD1 3.48Å |
| 57 | E | 97.4 | Very high | 97 | Very high | 137 Ų | 137 | 78.3 Ų | 78.3 | 64% | 0.64 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 177.5 | -73.3 | 176.2 | -170.6 | 0 | 0 | 111.9 | S53 S59 K60 | S53-E57 WeakPolarHBondContact O-CB 3.42Å; S53-E57 WeakPolarHBondContact O-CG 3.35Å; S53-E57 PolarHBondContact O-N 3.36Å; E57-S59 PolarHBondContact O-N 3.35Å; E57-K60 WeakPolarHBondContact O-CA 3.39Å; E57-K60 PolarHBondContact O-N 3.18Å |
| 58 | K | 96.6 | Very high | 97 | Very high | 179 Ų | 179 | 72.5 Ų | 72.5 | 78% | 0.778 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.8 | -31.7 | 175.2 | -174.4 | 177.5 | -179.9 | -179.6 | 0 | 112.2 | V54 H55 K60 | V54-K58 VanDerWaalsContact O-CB 3.27Å; V54-K58 WeakPolarHBondContact O-CB 3.49Å; V54-K58 PolarHBondContact O-N 3.12Å; H55-K58 PolarHBondContact O-N 3.32Å; K58-K60 PolarHBondContact O-N 3.23Å |
| 59 | S | 95.5 | Very high | 97 | Very high | 64 Ų | 64 | 74.8 Ų | 74.8 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 5.7 | 175.4 | -53.2 | 0 | 0 | 0 | 0 | 113.5 | H55 C56 E57 R61 | H55-S59 PolarHBondContact O-N 2.94Å; H55-S59 VanDerWaalsContact O-N 3.09Å; H55-S59 PolarHBondContact O-OG 2.91Å; C56-S59 CarbonylContact O-C 3.53Å; C56-S59 WeakPolarHBondContact O-CB 3.49Å; C56-S59 PolarHBondContact O-N 3.11Å; C56-S59 VanDerWaalsContact O-N 3.12Å; E57-S59 PolarHBondContact O-N 3.35Å; S59-R61 VanDerWaalsContact CB-NH2 3.35Å; S59-R61 PolarHBondContact O-N 3.02Å; S59-R61 PolarHBondContact OG-NH2 3.28Å; S59-R61 VanDerWaalsContact OG-NH2 3.16Å |
| 60 | K | 96 | Very high | 97 | Very high | 201 Ų | 201 | 73.2 Ų | 73.2 | 87% | 0.874 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 27.5 | -174.8 | -55.5 | -179.9 | -178.7 | 178.4 | 0 | 113.8 | C56 E57 K58 | C56-K60 PolarHBondContact O-N 2.92Å; E57-K60 WeakPolarHBondContact O-CA 3.39Å; E57-K60 PolarHBondContact O-N 3.18Å; K58-K60 PolarHBondContact O-N 3.23Å |
| 61 | R | 97.2 | Very high | 97 | Very high | 77 Ų | 77 | 71.8 Ų | 71.8 | 29% | 0.291 | 38% | 0.378 | S | S | . | . | trans | -98.6 | 154.4 | 175.7 | -72.2 | -178.3 | -73 | 98.3 | -0.6 | 110 | C56 S59 T63 D68 | C56-R61 PolarHBondContact O-N 3.45Å; C56-R61 PolarHBondContact SG-O 3.04Å; C56-R61 VanDerWaalsContact SG-O 3.34Å; S59-R61 VanDerWaalsContact CB-NH2 3.35Å; S59-R61 PolarHBondContact O-N 3.02Å; S59-R61 PolarHBondContact OG-NH2 3.28Å; S59-R61 VanDerWaalsContact OG-NH2 3.16Å; R61-T63 PolarHBondContact NH1-O 2.97Å; R61-D68 IonicContact CZ-OD1 3.53Å; R61-D68 IonicContact CZ-OD2 3.47Å; R61-D68 IonicContact NH1-OD1 3.48Å; R61-D68 PolarHBondContact NH1-OD1 3.45Å; R61-D68 IonicContact NH1-OD2 2.72Å; R61-D68 PolarHBondContact NH1-OD2 3.21Å; R61-D68 IonicContact NH2-OD1 2.67Å; R61-D68 PolarHBondContact NH2-OD1 3.17Å; R61-D68 IonicContact NH2-OD2 3.35Å; R61-D68 PolarHBondContact NH2-OD2 3.07Å | ||
| 62 | K | 95.6 | Very high | 97 | Very high | 214 Ų | 214 | 70.9 Ų | 70.9 | 93% | 0.93 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -104.5 | -7.2 | 172.2 | -63.6 | -176.9 | 179 | 178.8 | 0 | 112.9 | ||
| 63 | T | 96.8 | Very high | 97 | Very high | 104 Ų | 104 | 71.2 Ų | 71.2 | 64% | 0.638 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -114.9 | 120.4 | -176.9 | -52.7 | 0 | 0 | 0 | 0 | 109.3 | C56 R61 | C56-T63 PolarHBondContact SG-O 3.44Å; R61-T63 PolarHBondContact NH1-O 2.97Å |
| 64 | L | 97.2 | Very high | 96.9 | Very high | 76 Ų | 76 | 75.9 Ų | 75.9 | 40% | 0.398 | 39% | 0.391 | S | S | . | . | trans | -64.2 | 132.6 | 170.8 | -83.5 | 163.4 | 0 | 0 | 0 | 110.1 | A52 C56 D68 | A52-L64 VanDerWaalsContact C-CD2 3.41Å; A52-L64 HydrophobicContact CB-CD2 3.64Å; A52-L64 WeakPolarHBondContact O-CD2 3.09Å; C56-L64 HydrophobicContact CB-CD2 3.95Å; C56-L64 HydrophobicContact CB-CG 4.42Å; L64-D68 HydrophobicContact CD2-CB 3.96Å | ||
| 65 | T | 96.2 | Very high | 96.9 | Very high | 51 Ų | 51 | 77.7 Ų | 77.7 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | trans | -118.1 | 163.1 | 178.3 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | S67 D68 I69 | T65-S67 PolarHBondContact O-N 3.31Å; T65-S67 VanDerWaalsContact O-N 3.13Å; T65-S67 PolarHBondContact OG1-N 3.34Å; T65-S67 PolarHBondContact OG1-OG 3.18Å; T65-D68 PolarHBondContact N-OD2 3.37Å; T65-D68 WeakPolarHBondContact O-CB 3.48Å; T65-D68 PolarHBondContact O-N 2.98Å; T65-D68 PolarHBondContact OG1-OD2 3.03Å; T65-I69 PolarHBondContact O-N 3.33Å | ||
| 66 | G | 95.6 | Very high | 96.9 | Very high | 31 Ų | 31 | 77.3 Ų | 77.3 | 32% | 0.32 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.8 | -30.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D68 I69 L70 | G66-D68 VanDerWaalsContact C-N 3.32Å; G66-D68 PolarHBondContact O-N 3.12Å; G66-I69 PolarHBondContact O-N 2.98Å; G66-L70 WeakPolarHBondContact O-CG 3.33Å; G66-L70 PolarHBondContact O-N 3.38Å |
| 67 | S | 96.2 | Very high | 96.9 | Very high | 72 Ų | 72 | 84.9 Ų | 84.9 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.5 | -33.5 | 176.6 | 71.9 | 0 | 0 | 0 | 0 | 113.3 | T65 L70 A71 | T65-S67 PolarHBondContact O-N 3.31Å; T65-S67 VanDerWaalsContact O-N 3.13Å; T65-S67 PolarHBondContact OG1-N 3.34Å; T65-S67 PolarHBondContact OG1-OG 3.18Å; S67-L70 PolarHBondContact O-N 3.11Å; S67-A71 WeakPolarHBondContact O-CB 3.48Å; S67-A71 PolarHBondContact O-N 3.42Å |
| 68 | D | 97.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 176.7 | -59.4 | -59.4 | 0 | 0 | 0 | 111.2 | A52 H55 C56 R61 L64 T65 G66 A71 A72 | A52-D68 HydrophobicContact CB-CB 4.07Å; H55-D68 HydrophobicContact CB-CB 4.33Å; C56-D68 PolarHBondContact N-OD1 3.48Å; R61-D68 IonicContact CZ-OD1 3.53Å; R61-D68 IonicContact CZ-OD2 3.47Å; R61-D68 IonicContact NH1-OD1 3.48Å; R61-D68 PolarHBondContact NH1-OD1 3.45Å; R61-D68 IonicContact NH1-OD2 2.72Å; R61-D68 PolarHBondContact NH1-OD2 3.21Å; R61-D68 IonicContact NH2-OD1 2.67Å; R61-D68 PolarHBondContact NH2-OD1 3.17Å; R61-D68 IonicContact NH2-OD2 3.35Å; R61-D68 PolarHBondContact NH2-OD2 3.07Å; L64-D68 HydrophobicContact CD2-CB 3.96Å; T65-D68 PolarHBondContact N-OD2 3.37Å; T65-D68 WeakPolarHBondContact O-CB 3.48Å; T65-D68 PolarHBondContact O-N 2.98Å; T65-D68 PolarHBondContact OG1-OD2 3.03Å; G66-D68 VanDerWaalsContact C-N 3.32Å; G66-D68 PolarHBondContact O-N 3.12Å; D68-A71 PolarHBondContact O-N 2.8Å; D68-A72 WeakPolarHBondContact O-CB 2.98Å; D68-A72 PolarHBondContact O-N 2.92Å |
| 69 | I | 97.9 | Very high | 96.8 | Very high | 59 Ų | 59 | 76.2 Ų | 76.2 | 30% | 0.303 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 177 | -55.7 | -67.2 | 0 | 0 | 0 | 110.4 | V48 A52 T65 G66 A71 A72 L73 | V48-I69 HydrophobicContact CG1-CD1 4.42Å; V48-I69 HydrophobicContact CG1-CG2 4.08Å; A52-I69 HydrophobicContact CB-CD1 3.65Å; A52-I69 HydrophobicContact CB-CG1 4.5Å; T65-I69 PolarHBondContact O-N 3.33Å; G66-I69 PolarHBondContact O-N 2.98Å; I69-A71 VanDerWaalsContact C-N 3.35Å; I69-A71 PolarHBondContact O-N 3.24Å; I69-A72 PolarHBondContact O-N 3.43Å; I69-L73 HydrophobicContact CG2-CD1 4.26Å; I69-L73 WeakPolarHBondContact O-CG 3.5Å; I69-L73 PolarHBondContact O-N 3.46Å |
| 70 | L | 97.6 | Very high | 96.9 | Very high | 29 Ų | 29 | 79.1 Ų | 79.1 | 15% | 0.152 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 177.8 | -66.4 | 172.5 | 0 | 0 | 0 | 112.2 | G66 S67 L73 K74 I82 L85 N86 L89 | G66-L70 WeakPolarHBondContact O-CG 3.33Å; G66-L70 PolarHBondContact O-N 3.38Å; S67-L70 PolarHBondContact O-N 3.11Å; L70-L73 PolarHBondContact O-N 3.01Å; L70-K74 PolarHBondContact O-N 3.08Å; L70-K74 VanDerWaalsContact O-N 3.09Å; L70-I82 HydrophobicContact CD2-CG1 4.44Å; L70-I82 HydrophobicContact CD2-CG2 4.38Å; L70-L85 HydrophobicContact CD2-CB 3.86Å; L70-L85 HydrophobicContact CD2-CD1 4.04Å; L70-N86 WeakPolarHBondContact CD1-OD1 3.48Å; L70-L89 HydrophobicContact CD1-CD1 4Å |
| 71 | A | 97.3 | Very high | 96.9 | Very high | 37 Ų | 37 | 73.7 Ų | 73.7 | 31% | 0.306 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | S67 D68 I69 K74 E75 | S67-A71 WeakPolarHBondContact O-CB 3.48Å; S67-A71 PolarHBondContact O-N 3.42Å; D68-A71 PolarHBondContact O-N 2.8Å; I69-A71 VanDerWaalsContact C-N 3.35Å; I69-A71 PolarHBondContact O-N 3.24Å; A71-K74 WeakPolarHBondContact O-CB 3.47Å; A71-K74 PolarHBondContact O-N 2.71Å; A71-E75 PolarHBondContact O-N 3.25Å |
| 72 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V48 L51 A52 H55 D68 I69 K74 E75 M76 | V48-A72 HydrophobicContact CG1-CB 4.46Å; L51-A72 HydrophobicContact CB-CB 3.7Å; A52-A72 HydrophobicContact CB-CB 4.03Å; H55-A72 PolarHBondContact CD2-N 3.37Å; H55-A72 PolarHBondContact NE2-N 3.24Å; D68-A72 WeakPolarHBondContact O-CB 2.98Å; D68-A72 PolarHBondContact O-N 2.92Å; I69-A72 PolarHBondContact O-N 3.43Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 3.41Å; A72-E75 PolarHBondContact O-N 3.34Å; A72-E75 VanDerWaalsContact O-N 3.16Å; A72-M76 VanDerWaalsContact O-CG 3.26Å; A72-M76 WeakPolarHBondContact O-CG 3.25Å; A72-M76 PolarHBondContact O-N 3.13Å |
| 73 | L | 97.9 | Very high | 97 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 177.1 | -72 | 171.7 | 0 | 0 | 0 | 112.3 | F44 V48 I69 L70 M76 Q77 F78 L85 | F44-L73 HydrophobicContact CE2-CD2 4.38Å; F44-L73 HydrophobicContact CZ-CD2 3.75Å; V48-L73 HydrophobicContact CG1-CD2 4.5Å; V48-L73 HydrophobicContact CG2-CD2 3.97Å; I69-L73 HydrophobicContact CG2-CD1 4.26Å; I69-L73 WeakPolarHBondContact O-CG 3.5Å; I69-L73 PolarHBondContact O-N 3.46Å; L70-L73 PolarHBondContact O-N 3.01Å; L73-M76 CarbonylContact O-C 3.54Å; L73-M76 PolarHBondContact O-N 3.12Å; L73-Q77 PolarHBondContact O-N 3.21Å; L73-F78 HydrophobicContact CB-CB 4.37Å; L73-F78 HydrophobicContact CD2-CB 4.18Å; L73-F78 PolarHBondContact O-N 3.25Å; L73-L85 HydrophobicContact CD1-CD1 3.3Å |
| 74 | K | 97.3 | Very high | 97.1 | Very high | 131 Ų | 131 | 63.4 Ų | 63.4 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | 172.8 | 178.4 | 156.3 | -169.8 | 179.1 | 0 | 112.2 | L70 A71 A72 M76 Q77 D79 I82 | L70-K74 PolarHBondContact O-N 3.08Å; L70-K74 VanDerWaalsContact O-N 3.09Å; A71-K74 WeakPolarHBondContact O-CB 3.47Å; A71-K74 PolarHBondContact O-N 2.71Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 3.41Å; K74-M76 VanDerWaalsContact C-N 3.25Å; K74-M76 PolarHBondContact O-N 2.77Å; K74-Q77 PolarHBondContact O-N 3.39Å; K74-Q77 VanDerWaalsContact O-N 3.12Å; K74-D79 VanDerWaalsContact CG-OD1 3.28Å; K74-D79 WeakPolarHBondContact CG-OD1 3.31Å; K74-I82 HydrophobicContact CB-CD1 4.04Å |
| 75 | E | 96.9 | Very high | 97.1 | Very high | 118 Ų | 118 | 62.8 Ų | 62.8 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.7 | -33.4 | 175.2 | -173 | 166.5 | 156.7 | 0 | 0 | 112.1 | H55 A71 A72 Q77 | H55-E75 IonicContact CE1-OE2 3.21Å; H55-E75 PolarHBondContact CE1-OE2 3.3Å; H55-E75 IonicContact NE2-OE2 3.49Å; H55-E75 PolarHBondContact NE2-OE2 3Å; A71-E75 PolarHBondContact O-N 3.25Å; A72-E75 PolarHBondContact O-N 3.34Å; A72-E75 VanDerWaalsContact O-N 3.16Å; E75-Q77 VanDerWaalsContact C-N 3.25Å; E75-Q77 PolarHBondContact O-N 3.39Å |
| 76 | M | 96.2 | Very high | 97.1 | Very high | 26 Ų | 26 | 63.3 Ų | 63.3 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 2.6 | 175.2 | -66.4 | 175.8 | 53.5 | 0 | 0 | 114.6 | F44 Y47 V48 L51 A72 L73 K74 F78 | F44-M76 HydrophobicContact CD2-CE 3.76Å; F44-M76 HydrophobicContact CE2-CE 3.59Å; Y47-M76 HydrophobicContact CD1-CE 3.51Å; Y47-M76 HydrophobicContact CD1-CG 4.11Å; Y47-M76 HydrophobicContact CD1-SD 3.63Å; Y47-M76 HydrophobicContact CE1-CE 4.02Å; Y47-M76 HydrophobicContact CE1-CG 3.73Å; Y47-M76 HydrophobicContact CE1-SD 3.91Å; V48-M76 HydrophobicContact CB-SD 4.26Å; V48-M76 HydrophobicContact CG2-CE 3.67Å; V48-M76 HydrophobicContact CG2-SD 3.46Å; V48-M76 WeakPolarHBondContact CG2-SD 3.35Å; L51-M76 HydrophobicContact CD1-CG 3.33Å; L51-M76 HydrophobicContact CD1-SD 3.74Å; A72-M76 VanDerWaalsContact O-CG 3.26Å; A72-M76 WeakPolarHBondContact O-CG 3.25Å; A72-M76 PolarHBondContact O-N 3.13Å; L73-M76 CarbonylContact O-C 3.54Å; L73-M76 PolarHBondContact O-N 3.12Å; K74-M76 VanDerWaalsContact C-N 3.25Å; K74-M76 PolarHBondContact O-N 2.77Å; M76-F78 VanDerWaalsContact C-N 3.29Å; M76-F78 HydrophobicContact CB-CD2 3.59Å; M76-F78 HydrophobicContact CB-CE2 4.04Å; M76-F78 HydrophobicContact CE-CD2 3.84Å; M76-F78 HydrophobicContact CE-CE2 3.61Å; M76-F78 PolarHBondContact O-N 3.31Å |
| 77 | Q | 97.4 | Very high | 97.2 | Very high | 164 Ų | 164 | 64.5 Ų | 64.5 | 77% | 0.766 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 27.3 | -178.2 | -50.2 | 177.7 | -30.8 | 0 | 0 | 114.3 | L73 K74 E75 | L73-Q77 PolarHBondContact O-N 3.21Å; K74-Q77 PolarHBondContact O-N 3.39Å; K74-Q77 VanDerWaalsContact O-N 3.12Å; E75-Q77 VanDerWaalsContact C-N 3.25Å; E75-Q77 PolarHBondContact O-N 3.39Å |
| 78 | F | 97.1 | Very high | 97.2 | Very high | 64 Ų | 64 | 67.9 Ų | 67.9 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | trans | -98 | 32.9 | 172.1 | -69.2 | -69.9 | 0 | 0 | 0 | 112.3 | F44 L73 M76 H80 F81 | F44-F78 HydrophobicContact CD2-CE2 4.28Å; F44-F78 AromaticContact CE2-CD2 3.89Å; F44-F78 HydrophobicContact CE2-CD2 3.89Å; F44-F78 AromaticContact CE2-CE2 3.67Å; F44-F78 HydrophobicContact CE2-CE2 3.67Å; F44-F78 HydrophobicContact CE2-CZ 4.16Å; L73-F78 HydrophobicContact CB-CB 4.37Å; L73-F78 HydrophobicContact CD2-CB 4.18Å; L73-F78 PolarHBondContact O-N 3.25Å; M76-F78 VanDerWaalsContact C-N 3.29Å; M76-F78 HydrophobicContact CB-CD2 3.59Å; M76-F78 HydrophobicContact CB-CE2 4.04Å; M76-F78 HydrophobicContact CE-CD2 3.84Å; M76-F78 HydrophobicContact CE-CE2 3.61Å; M76-F78 PolarHBondContact O-N 3.31Å; F78-H80 AromaticContact CD1-CE1 3.58Å; F78-H80 PolarHBondContact O-N 3Å; F78-F81 HydrophobicContact CB-CD2 3.81Å; F78-F81 HydrophobicContact CB-CE2 4.18Å; F78-F81 HydrophobicContact CD1-CD2 4.1Å; F78-F81 AromaticContact CD1-CE2 3.58Å; F78-F81 HydrophobicContact CD1-CE2 3.58Å; F78-F81 HydrophobicContact CD1-CZ 4.16Å; F78-F81 HydrophobicContact CE1-CE2 4.27Å; F78-F81 HydrophobicContact CG-CD2 4.19Å; F78-F81 HydrophobicContact CG-CE2 4.06Å; F78-F81 PolarHBondContact O-N 3.24Å | ||
| 79 | D | 96 | Very high | 97.1 | Very high | 70 Ų | 70 | 70 Ų | 70 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -53.9 | -30.3 | -178.3 | -62.9 | -104.8 | 0 | 0 | 0 | 113.6 | K74 F81 I82 | K74-D79 VanDerWaalsContact CG-OD1 3.28Å; K74-D79 WeakPolarHBondContact CG-OD1 3.31Å; D79-F81 PolarHBondContact O-N 3.07Å; D79-I82 HydrophobicContact CB-CD1 4.35Å; D79-I82 WeakPolarHBondContact O-CB 3.42Å; D79-I82 WeakPolarHBondContact O-CG1 3.48Å; D79-I82 PolarHBondContact O-N 3.13Å |
| 80 | H | 97.1 | Very high | 97 | Very high | 125 Ų | 125 | 70.7 Ų | 70.7 | 58% | 0.579 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -63.5 | -19.4 | 178.3 | 59.2 | -82.3 | 0 | 0 | 0 | 113.8 | F78 | F78-H80 AromaticContact CD1-CE1 3.58Å; F78-H80 PolarHBondContact O-N 3Å |
| 81 | F | 96.9 | Very high | 96.9 | Very high | 87 Ų | 87 | 74.6 Ų | 74.6 | 38% | 0.382 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -82.3 | -20.8 | 173.8 | -63.6 | -23.6 | 0 | 0 | 0 | 113.4 | F78 D79 A84 L85 | F78-F81 HydrophobicContact CB-CD2 3.81Å; F78-F81 HydrophobicContact CB-CE2 4.18Å; F78-F81 HydrophobicContact CD1-CD2 4.1Å; F78-F81 AromaticContact CD1-CE2 3.58Å; F78-F81 HydrophobicContact CD1-CE2 3.58Å; F78-F81 HydrophobicContact CD1-CZ 4.16Å; F78-F81 HydrophobicContact CE1-CE2 4.27Å; F78-F81 HydrophobicContact CG-CD2 4.19Å; F78-F81 HydrophobicContact CG-CE2 4.06Å; F78-F81 PolarHBondContact O-N 3.24Å; D79-F81 PolarHBondContact O-N 3.07Å; F81-A84 PolarHBondContact O-N 3.3Å; F81-L85 HydrophobicContact CB-CD1 3.99Å; F81-L85 WeakPolarHBondContact O-CB 3.43Å; F81-L85 WeakPolarHBondContact O-CG 3.29Å; F81-L85 PolarHBondContact O-N 3.33Å |
| 82 | I | 97.2 | Very high | 96.8 | Very high | 33 Ų | 33 | 79.3 Ų | 79.3 | 17% | 0.169 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.3 | -45.8 | -171.8 | -63.7 | 175.4 | 0 | 0 | 0 | 112.8 | L70 K74 D79 A84 L85 N86 | L70-I82 HydrophobicContact CD2-CG1 4.44Å; L70-I82 HydrophobicContact CD2-CG2 4.38Å; K74-I82 HydrophobicContact CB-CD1 4.04Å; D79-I82 HydrophobicContact CB-CD1 4.35Å; D79-I82 WeakPolarHBondContact O-CB 3.42Å; D79-I82 WeakPolarHBondContact O-CG1 3.48Å; D79-I82 PolarHBondContact O-N 3.13Å; I82-A84 PolarHBondContact O-N 3.48Å; I82-L85 PolarHBondContact O-N 2.93Å; I82-N86 WeakPolarHBondContact CG2-ND2 3.39Å; I82-N86 PolarHBondContact O-N 3.49Å; I82-N86 PolarHBondContact O-ND2 3.32Å |
| 83 | P | 97.6 | Very high | 96.6 | Very high | 93 Ų | 93 | 86.2 Ų | 86.2 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.4 | -45.1 | -179.5 | -24.6 | 35.3 | 0 | 0 | 0 | 113 | N86 S87 | P83-N86 PolarHBondContact O-N 3.36Å; P83-S87 PolarHBondContact O-N 3.41Å |
| 84 | A | 97.2 | Very high | 96.5 | Very high | 54 Ų | 54 | 92.1 Ų | 92.1 | 45% | 0.446 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | F81 I82 N86 S87 F88 | F81-A84 PolarHBondContact O-N 3.3Å; I82-A84 PolarHBondContact O-N 3.48Å; A84-N86 PolarHBondContact O-N 3.2Å; A84-S87 WeakPolarHBondContact O-CB 3.37Å; A84-S87 PolarHBondContact O-N 2.95Å; A84-F88 WeakPolarHBondContact O-CD2 3.48Å; A84-F88 PolarHBondContact O-N 3.19Å |
| 85 | L | 97.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 91.6 Ų | 91.6 | 33% | 0.33 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 179 | -72.1 | 171.1 | 0 | 0 | 0 | 112.9 | L70 L73 F81 I82 F88 L89 | L70-L85 HydrophobicContact CD2-CB 3.86Å; L70-L85 HydrophobicContact CD2-CD1 4.04Å; L73-L85 HydrophobicContact CD1-CD1 3.3Å; F81-L85 HydrophobicContact CB-CD1 3.99Å; F81-L85 WeakPolarHBondContact O-CB 3.43Å; F81-L85 WeakPolarHBondContact O-CG 3.29Å; F81-L85 PolarHBondContact O-N 3.33Å; I82-L85 PolarHBondContact O-N 2.93Å; L85-F88 PolarHBondContact O-N 3.48Å; L85-L89 WeakPolarHBondContact O-CG 3.24Å; L85-L89 PolarHBondContact O-N 2.86Å |
| 86 | N | 97.1 | Very high | 96 | Very high | 61 Ų | 61 | 89.9 Ų | 89.9 | 33% | 0.326 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 174.2 | -78.1 | -37 | 0 | 0 | 0 | 111.5 | L70 I82 P83 A84 F88 L89 D90 | L70-N86 WeakPolarHBondContact CD1-OD1 3.48Å; I82-N86 WeakPolarHBondContact CG2-ND2 3.39Å; I82-N86 PolarHBondContact O-N 3.49Å; I82-N86 PolarHBondContact O-ND2 3.32Å; P83-N86 PolarHBondContact O-N 3.36Å; A84-N86 PolarHBondContact O-N 3.2Å; N86-F88 VanDerWaalsContact C-N 3.3Å; N86-F88 PolarHBondContact O-N 3.05Å; N86-L89 PolarHBondContact O-N 3.42Å; N86-L89 VanDerWaalsContact O-N 3.11Å; N86-D90 PolarHBondContact O-N 3.2Å |
| 87 | S | 97.1 | Very high | 95.8 | Very high | 57 Ų | 57 | 93.6 Ų | 93.6 | 40% | 0.399 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.9 | -40.9 | 175.5 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | P83 A84 K91 | P83-S87 PolarHBondContact O-N 3.41Å; A84-S87 WeakPolarHBondContact O-CB 3.37Å; A84-S87 PolarHBondContact O-N 2.95Å; S87-K91 WeakPolarHBondContact O-CG 3.46Å; S87-K91 PolarHBondContact O-N 3.37Å |
| 88 | F | 96.7 | Very high | 95.4 | Very high | 142 Ų | 142 | 91.9 Ų | 91.9 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.1 | -40.7 | 174.2 | -76.7 | -66.9 | 0 | 0 | 0 | 112.7 | A84 L85 N86 Y92 | A84-F88 WeakPolarHBondContact O-CD2 3.48Å; A84-F88 PolarHBondContact O-N 3.19Å; L85-F88 PolarHBondContact O-N 3.48Å; N86-F88 VanDerWaalsContact C-N 3.3Å; N86-F88 PolarHBondContact O-N 3.05Å; F88-Y92 WeakPolarHBondContact O-CB 3.32Å; F88-Y92 PolarHBondContact O-N 3.28Å |
| 89 | L | 94.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 95.6 Ų | 95.6 | 26% | 0.257 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 178.2 | -76.5 | 175.5 | 0 | 0 | 0 | 112.4 | L70 L85 N86 Y92 R93 | L70-L89 HydrophobicContact CD1-CD1 4Å; L85-L89 WeakPolarHBondContact O-CG 3.24Å; L85-L89 PolarHBondContact O-N 2.86Å; N86-L89 PolarHBondContact O-N 3.42Å; N86-L89 VanDerWaalsContact O-N 3.11Å; L89-Y92 PolarHBondContact O-N 3.49Å; L89-R93 VanDerWaalsContact O-CG 3.3Å; L89-R93 WeakPolarHBondContact O-CG 3.39Å; L89-R93 PolarHBondContact O-N 3.46Å |
| 90 | D | 95.6 | Very high | 94.3 | Very high | 74 Ų | 74 | 100.1 Ų | 100.1 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.7 | -45.8 | 179.7 | -67 | -26.2 | 0 | 0 | 0 | 110.9 | N86 Y92 R93 E94 | N86-D90 PolarHBondContact O-N 3.2Å; D90-Y92 VanDerWaalsContact C-N 3.28Å; D90-Y92 PolarHBondContact O-N 2.91Å; D90-R93 WeakPolarHBondContact O-CB 3.3Å; D90-R93 PolarHBondContact O-N 3.26Å; D90-R93 VanDerWaalsContact O-N 3.12Å; D90-R93 IonicContact OD1-NH1 3.07Å; D90-R93 PolarHBondContact OD1-NH1 3.1Å; D90-E94 WeakPolarHBondContact O-CG 3.48Å; D90-E94 PolarHBondContact O-N 3.42Å |
| 91 | K | 96.3 | Very high | 93.4 | Very high | 111 Ų | 111 | 97.5 Ų | 97.5 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.2 | -40.6 | 171.8 | -71.8 | 175 | -178.5 | 176.5 | 0 | 112.5 | S87 E94 Q95 | S87-K91 WeakPolarHBondContact O-CG 3.46Å; S87-K91 PolarHBondContact O-N 3.37Å; K91-E94 PolarHBondContact O-N 3.38Å; K91-Q95 VanDerWaalsContact O-CG 3.31Å; K91-Q95 WeakPolarHBondContact O-CG 3.49Å; K91-Q95 PolarHBondContact O-N 3.4Å; K91-Q95 VanDerWaalsContact O-N 3.12Å |
| 92 | Y | 95.4 | Very high | 92 | Very high | 136 Ų | 136 | 98.9 Ų | 98.9 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 176.8 | 174.1 | -102.7 | 0 | 0 | 0 | 111.9 | F88 L89 D90 Q95 L96 | F88-Y92 WeakPolarHBondContact O-CB 3.32Å; F88-Y92 PolarHBondContact O-N 3.28Å; L89-Y92 PolarHBondContact O-N 3.49Å; D90-Y92 VanDerWaalsContact C-N 3.28Å; D90-Y92 PolarHBondContact O-N 2.91Å; Y92-Q95 PolarHBondContact O-N 3.11Å; Y92-L96 HydrophobicContact CD1-CD1 4.08Å; Y92-L96 HydrophobicContact CD1-CG 4.47Å; Y92-L96 HydrophobicContact CE1-CD1 3.45Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.45Å; Y92-L96 HydrophobicContact CE1-CG 4.05Å; Y92-L96 HydrophobicContact CE2-CD2 4.38Å; Y92-L96 HydrophobicContact CE2-CG 4.42Å; Y92-L96 WeakPolarHBondContact O-CG 3.5Å; Y92-L96 PolarHBondContact O-N 3.42Å |
| 93 | R | 94 | Very high | 90.4 | Very high | 144 Ų | 144 | 106.2 Ų | 106.2 | 54% | 0.543 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 177 | -72 | 165 | 173.4 | 162.3 | -4.9 | 112.1 | L89 D90 Q95 L96 V97 | L89-R93 VanDerWaalsContact O-CG 3.3Å; L89-R93 WeakPolarHBondContact O-CG 3.39Å; L89-R93 PolarHBondContact O-N 3.46Å; D90-R93 WeakPolarHBondContact O-CB 3.3Å; D90-R93 PolarHBondContact O-N 3.26Å; D90-R93 VanDerWaalsContact O-N 3.12Å; D90-R93 IonicContact OD1-NH1 3.07Å; D90-R93 PolarHBondContact OD1-NH1 3.1Å; R93-Q95 VanDerWaalsContact C-N 3.33Å; R93-Q95 PolarHBondContact O-N 3.21Å; R93-L96 WeakPolarHBondContact O-CB 3.33Å; R93-L96 PolarHBondContact O-N 3.38Å; R93-V97 PolarHBondContact O-N 2.9Å; R93-V97 VanDerWaalsContact O-N 3.17Å |
| 94 | E | 94.3 | Very high | 88.2 | Confident | 133 Ų | 133 | 111.6 Ų | 111.6 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.6 | -45.7 | 175.1 | -71.2 | 171.5 | -173 | 0 | 0 | 111.5 | D90 K91 L96 V97 F98 | D90-E94 WeakPolarHBondContact O-CG 3.48Å; D90-E94 PolarHBondContact O-N 3.42Å; K91-E94 PolarHBondContact O-N 3.38Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.28Å; E94-V97 PolarHBondContact O-N 3.07Å; E94-F98 PolarHBondContact O-N 3.43Å; E94-F98 VanDerWaalsContact O-N 3.07Å |
| 95 | Q | 93.4 | Very high | 85.8 | Confident | 119 Ų | 119 | 115.1 Ų | 115.1 | 56% | 0.556 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.1 | -34.1 | 177.8 | -70.7 | 175.7 | 15.8 | 0 | 0 | 113 | K91 Y92 R93 K99 | K91-Q95 VanDerWaalsContact O-CG 3.31Å; K91-Q95 WeakPolarHBondContact O-CG 3.49Å; K91-Q95 PolarHBondContact O-N 3.4Å; K91-Q95 VanDerWaalsContact O-N 3.12Å; Y92-Q95 PolarHBondContact O-N 3.11Å; R93-Q95 VanDerWaalsContact C-N 3.33Å; R93-Q95 PolarHBondContact O-N 3.21Å; Q95-K99 WeakPolarHBondContact O-CG 3.41Å; Q95-K99 PolarHBondContact O-N 3.36Å; Q95-K99 VanDerWaalsContact O-N 3.13Å |
| 96 | L | 92.2 | Very high | 83.2 | Confident | 83 Ų | 83 | 120.4 Ų | 120.4 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.6 | -39.7 | 174.7 | -71.9 | -177.3 | 0 | 0 | 0 | 112.1 | Y92 R93 E94 K100 | Y92-L96 HydrophobicContact CD1-CD1 4.08Å; Y92-L96 HydrophobicContact CD1-CG 4.47Å; Y92-L96 HydrophobicContact CE1-CD1 3.45Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.45Å; Y92-L96 HydrophobicContact CE1-CG 4.05Å; Y92-L96 HydrophobicContact CE2-CD2 4.38Å; Y92-L96 HydrophobicContact CE2-CG 4.42Å; Y92-L96 WeakPolarHBondContact O-CG 3.5Å; Y92-L96 PolarHBondContact O-N 3.42Å; R93-L96 WeakPolarHBondContact O-CB 3.33Å; R93-L96 PolarHBondContact O-N 3.38Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.28Å; L96-K100 PolarHBondContact O-N 3.42Å |
| 97 | V | 91.4 | Very high | 80.4 | Confident | 104 Ų | 104 | 124.4 Ų | 124.4 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66 | -44.7 | 177 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | R93 E94 K99 K100 S101 | R93-V97 PolarHBondContact O-N 2.9Å; R93-V97 VanDerWaalsContact O-N 3.17Å; E94-V97 PolarHBondContact O-N 3.07Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.07Å; V97-K100 WeakPolarHBondContact O-CB 3.4Å; V97-K100 PolarHBondContact O-N 3Å; V97-S101 PolarHBondContact O-N 3.13Å; V97-S101 VanDerWaalsContact O-N 3.11Å |
| 98 | F | 87.8 | Confident | 78 | Confident | 128 Ų | 128 | 130.3 Ų | 130.3 | 56% | 0.561 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.6 | -39.2 | 178.5 | -174 | -100.1 | 0 | 0 | 0 | 113 | E94 K100 S101 N102 | E94-F98 PolarHBondContact O-N 3.43Å; E94-F98 VanDerWaalsContact O-N 3.07Å; F98-K100 PolarHBondContact O-N 3.14Å; F98-S101 PolarHBondContact O-N 3.4Å; F98-S101 PolarHBondContact O-OG 3.22Å; F98-N102 WeakPolarHBondContact CE1-ND2 3.36Å; F98-N102 WeakPolarHBondContact CZ-ND2 3.36Å; F98-N102 PolarHBondContact O-N 3.15Å |
| 99 | K | 86.7 | Confident | 75.4 | Confident | 142 Ų | 142 | 133 Ų | 133 | 62% | 0.617 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.3 | -26.7 | 175.3 | -77.5 | 178.6 | 170.1 | 179.3 | 0 | 113.1 | Q95 V97 | Q95-K99 WeakPolarHBondContact O-CG 3.41Å; Q95-K99 PolarHBondContact O-N 3.36Å; Q95-K99 VanDerWaalsContact O-N 3.13Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.07Å |
| 100 | K | 83.5 | Confident | 72.9 | Confident | 164 Ų | 164 | 138.5 Ų | 138.5 | 71% | 0.713 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -82.7 | -34.2 | 178.8 | -165.5 | 168.7 | -178.5 | 174.9 | 0 | 112.2 | L96 V97 F98 | L96-K100 PolarHBondContact O-N 3.42Å; V97-K100 WeakPolarHBondContact O-CB 3.4Å; V97-K100 PolarHBondContact O-N 3Å; F98-K100 PolarHBondContact O-N 3.14Å |
| 101 | S | 78.9 | Confident | 70.6 | Confident | 71 Ų | 71 | 144 Ų | 144 | 50% | 0.497 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -72.5 | -34.4 | 177 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | V97 F98 K103 | V97-S101 PolarHBondContact O-N 3.13Å; V97-S101 VanDerWaalsContact O-N 3.11Å; F98-S101 PolarHBondContact O-N 3.4Å; F98-S101 PolarHBondContact O-OG 3.22Å; S101-K103 VanDerWaalsContact C-N 3.3Å; S101-K103 PolarHBondContact O-N 3.21Å |
| 102 | N | 68.3 | Low | 68.1 | Low | 116 Ų | 116 | 148.4 Ų | 148.4 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -3.5 | -178.4 | -84.2 | 10.6 | 0 | 0 | 0 | 115.6 | F98 | F98-N102 WeakPolarHBondContact CE1-ND2 3.36Å; F98-N102 WeakPolarHBondContact CZ-ND2 3.36Å; F98-N102 PolarHBondContact O-N 3.15Å |
| 103 | K | 62.3 | Low | 65.8 | Low | 186 Ų | 186 | 149.1 Ų | 149.1 | 81% | 0.809 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 8.1 | 179 | -75.9 | -173.8 | 176.5 | -173.5 | 0 | 114.5 | S101 | S101-K103 VanDerWaalsContact C-N 3.3Å; S101-K103 PolarHBondContact O-N 3.21Å |
| 104 | R | 52 | Low | 63.3 | Low | 206 Ų | 206 | 147.2 Ų | 147.2 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | trans | -139.2 | 115.3 | 176.6 | -58.6 | -178.4 | 179.3 | -157.9 | -3.1 | 107.1 | ||||
| 105 | P | 45.6 | Very low | 61.1 | Low | 128 Ų | 128 | 148 Ų | 148 | 83% | 0.831 | 74% | 0.737 | S | S | * | * | -155 | 128.5 | 67.2 | 36 | -13.8 | 0 | 0 | 0 | 115.8 | |||||
| 106 | H | 43 | Very low | 58.9 | Low | 175 Ų | 175 | 149.5 Ų | 149.5 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -156.8 | 89.3 | 157.6 | -161.5 | -58.6 | 0 | 0 | 0 | 111 | ||||
| 107 | N | 39.8 | Very low | 56.9 | Low | 144 Ų | 144 | 153.4 Ų | 153.4 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -178.8 | 152.1 | 140.3 | -103.6 | -1.9 | 0 | 0 | 0 | 111.3 | ||||
| 108 | E | 46.9 | Very low | 54.7 | Low | 181 Ų | 181 | 155.4 Ų | 155.4 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | 94.5 | 91.1 | 171.5 | -55.8 | 179.6 | -175 | 0 | 0 | 116 | ||||
| 109 | K | 40.8 | Very low | 52.6 | Low | 199 Ų | 199 | 153.5 Ų | 153.5 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | 173.1 | 90.6 | 124.4 | -89.2 | 158.1 | -169.9 | -180 | 0 | 110.3 | |||||
| 110 | D | 42.8 | Very low | 50.8 | Low | 164 Ų | 164 | 154.6 Ų | 154.6 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -160.2 | 95.6 | 158.7 | -84.3 | -39.4 | 0 | 0 | 0 | 107.7 | ||||
| 111 | E | 47.2 | Very low | 49.1 | Very low | 190 Ų | 190 | 153.8 Ų | 153.8 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -164.9 | 81.6 | 152 | -83.5 | -133.2 | 161.2 | 0 | 0 | 108.8 | ||||
| 112 | E | 43.6 | Very low | 47.4 | Very low | 204 Ų | 204 | 155.7 Ų | 155.7 | 95% | 0.953 | 79% | 0.786 | S | S | * | * | trans | -93.6 | 108.5 | 153.8 | -83.2 | -170.2 | 158.6 | 0 | 0 | 107.6 | ||||
| 113 | I | 48.5 | Very low | 46.1 | Very low | 151 Ų | 151 | 155.8 Ų | 155.8 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | trans | -118.6 | 116.8 | 165 | -153.4 | 167.2 | 0 | 0 | 0 | 111.1 | ||||
| 114 | S | 40 | Very low | 45.4 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -56.2 | 138 | 177.1 | 46.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 115 | T | 47.9 | Very low | 45.3 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -142.1 | 132.6 | 147.9 | 32.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 116 | E | 47.7 | Very low | 45.4 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -81.1 | 164 | -165.2 | -61.8 | -170.2 | 124.5 | 0 | 0 | 116.4 | ||||
| 117 | K | 50 | Low | 45.5 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | 78.1 | 134.2 | 145.8 | -81.6 | 160.7 | -176.7 | 152.6 | 0 | 116.7 | ||||
| 118 | L | 44.9 | Very low | 45.8 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | cis | -168.7 | 138.1 | 35.6 | -171 | 58.7 | 0 | 0 | 0 | 111.5 | ||||
| 119 | S | 44.9 | Very low | 45.8 | Very low | 87 Ų | 87 | 144.7 Ų | 144.7 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | 56.7 | 143.7 | 147.2 | 68.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 120 | Q | 47.4 | Very low | 46.4 | Very low | 166 Ų | 166 | 145 Ų | 145 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | cis | -172.4 | 133.4 | 2.7 | -109.7 | 171 | 23.7 | 0 | 0 | 108.4 | ||||
| 121 | I | 47.8 | Very low | 46.5 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | 85.4 | 135.3 | 132.7 | -57.6 | 163.5 | 0 | 0 | 0 | 120.7 | ||||
| 122 | P | 43.3 | Very low | 46.1 | Very low | 110 Ų | 110 | 147.1 Ų | 147.1 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | trans | -119.9 | 173.3 | -158.3 | 39.9 | -21.7 | 0 | 0 | 0 | 114.4 | ||||
| 123 | S | 42.5 | Very low | 46.3 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 165.6 | 143 | 155.9 | -77.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 124 | S | 47.8 | Very low | 46.5 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | cis | -179 | 154.8 | -9.9 | 45.2 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 125 | S | 49.2 | Very low | 46.7 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | 104.3 | 101.5 | 157.7 | -45.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 126 | T | 47.9 | Very low | 46.5 | Very low | 127 Ų | 127 | 143 Ų | 143 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | 76.8 | 89.9 | 125 | 58 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 127 | S | 44.9 | Very low | 46.2 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | 22.7 | 120.1 | 129 | 60.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 128 | H | 46.2 | Very low | 45.9 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 89% | 0.889 | 77% | 0.772 | S | S | * | * | trans | -148.7 | 118.1 | 139.1 | -137 | -45.7 | 0 | 0 | 0 | 110 | ||||
| 129 | L | 47.4 | Very low | 46.4 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -76 | 135.3 | 172.4 | -71.5 | 115.6 | 0 | 0 | 0 | 110.5 | ||||
| 130 | K | 52.1 | Low | 46.3 | Very low | 206 Ų | 206 | 144 Ų | 144 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -157.2 | 119.1 | 149.7 | -122.4 | 175.5 | -179.3 | -178.6 | 0 | 110.3 | ||||
| 131 | H | 44.8 | Very low | 46.5 | Very low | 188 Ų | 188 | 144 Ų | 144 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -60.2 | 144.7 | 172 | -101.9 | -96.3 | 0 | 0 | 0 | 110.9 | ||||
| 132 | R | 38.7 | Very low | 46.6 | Very low | 210 Ų | 210 | 143.8 Ų | 143.8 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -117.8 | 118.9 | -172.3 | -178.7 | 175.4 | 90.3 | 161 | 8 | 106.8 | ||||
| 133 | D | 49.2 | Very low | 47 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -127 | 120.9 | 156.6 | -76.6 | -50 | 0 | 0 | 0 | 107.4 | ||||
| 134 | S | 52.9 | Low | 47.7 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -130.7 | 105.3 | -175 | -57 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 135 | N | 43.6 | Very low | 47.8 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | 21.5 | 148.4 | 134 | -157.4 | 20.4 | 0 | 0 | 0 | 120.8 | ||||
| 136 | V | 44.1 | Very low | 48.2 | Very low | 112 Ų | 112 | 150 Ų | 150 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | trans | 85.1 | 127 | 150.7 | 139.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 137 | T | 40.9 | Very low | 48.3 | Very low | 118 Ų | 118 | 150.6 Ų | 150.6 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | cis | -165.3 | 150.3 | 43.5 | -32.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 138 | L | 43.3 | Very low | 48.5 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -63 | 144.6 | 157.4 | -94.9 | 86.2 | 0 | 0 | 0 | 111.2 | ||||
| 139 | V | 55.2 | Low | 48.7 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -137.7 | 112.5 | 153.2 | -88.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 140 | E | 43.2 | Very low | 48.5 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -85.7 | 174.6 | 153.2 | -63.4 | -177 | 157.9 | 0 | 0 | 107.8 | ||||
| 141 | D | 52.3 | Low | 48.5 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | 104.4 | 135.6 | -173.8 | -56.9 | -22.6 | 0 | 0 | 0 | 111.2 | ||||
| 142 | D | 50.3 | Low | 48.7 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | cis | -175.2 | 162.4 | -3.5 | -175.6 | 16.5 | 0 | 0 | 0 | 104.6 | ||||
| 143 | D | 50.2 | Low | 49.6 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -49.8 | 138.6 | -174.1 | -66.1 | -56.1 | 0 | 0 | 0 | 115.4 | ||||
| 144 | N | 57.3 | Low | 50.1 | Low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -152.4 | 105.9 | 148.6 | -152.5 | 19.4 | 0 | 0 | 0 | 112.9 | V146 | N144-V146 PolarHBondContact O-N 2.95Š| ||
| 145 | D | 49.6 | Very low | 50.3 | Low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -52.1 | 118.8 | 157 | -114.7 | -37.5 | 0 | 0 | 0 | 109.3 | ||||
| 146 | V | 57.9 | Low | 51.1 | Low | 123 Ų | 123 | 143.1 Ų | 143.1 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | -112.9 | 92.6 | 163.6 | 172.6 | 0 | 0 | 0 | 0 | 107.7 | N144 | N144-V146 PolarHBondContact O-N 2.95Š| ||
| 147 | V | 49.6 | Very low | 51.3 | Low | 139 Ų | 139 | 146 Ų | 146 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -74.2 | 124.2 | 155 | -156.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 148 | G | 50.1 | Low | 51.8 | Low | 64 Ų | 64 | 147.2 Ų | 147.2 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | trans | 171.7 | 141.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 149 | D | 49.8 | Very low | 52 | Low | 150 Ų | 150 | 147.6 Ų | 147.6 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | cis | -168.7 | 153.1 | -8.8 | -172.2 | 13.1 | 0 | 0 | 0 | 101.5 | A151 | D149-A151 PolarHBondContact O-N 3.08Š| ||
| 150 | D | 43.3 | Very low | 51.5 | Low | 149 Ų | 149 | 148.2 Ų | 148.2 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -47.3 | 125.9 | -174.8 | -68.5 | -68.9 | 0 | 0 | 0 | 113.1 | ||||
| 151 | A | 53.4 | Low | 52 | Low | 89 Ų | 89 | 148.5 Ų | 148.5 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -128 | 91 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | D149 E153 | D149-A151 PolarHBondContact O-N 3.08Å; A151-E153 PolarHBondContact O-N 3.48Å | ||
| 152 | D | 47.9 | Very low | 51.8 | Low | 158 Ų | 158 | 149.2 Ų | 149.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -53.9 | 97.1 | 160.4 | -73.1 | -48.6 | 0 | 0 | 0 | 108.6 | ||||
| 153 | E | 58.5 | Low | 51.6 | Low | 180 Ų | 180 | 148.1 Ų | 148.1 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -88 | 101.5 | 160.8 | -85.8 | -172.7 | 170.4 | 0 | 0 | 107.8 | A151 I155 | A151-E153 PolarHBondContact O-N 3.48Å; E153-I155 PolarHBondContact O-N 3.25Å; E153-I155 VanDerWaalsContact O-N 3.11Å | ||
| 154 | E | 58 | Low | 51.4 | Low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -51 | 112.6 | 162.8 | -70.8 | -177.5 | 157.2 | 0 | 0 | 108.8 | E156 | E154-E156 PolarHBondContact O-N 3.02Å; E154-E156 VanDerWaalsContact O-N 3.16Å | ||
| 155 | I | 57.9 | Low | 50.7 | Low | 162 Ų | 162 | 148.3 Ų | 148.3 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -75.8 | 102.7 | 173.1 | -47.6 | 171.7 | 0 | 0 | 0 | 105.6 | E153 E157 | E153-I155 PolarHBondContact O-N 3.25Å; E153-I155 VanDerWaalsContact O-N 3.11Å; I155-E157 PolarHBondContact O-N 3.11Å | ||
| 156 | E | 59.5 | Low | 50.8 | Low | 173 Ų | 173 | 145.9 Ų | 145.9 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -58.1 | 123.2 | 170.2 | -80.5 | -155.3 | 160.4 | 0 | 0 | 109.7 | E154 V158 | E154-E156 PolarHBondContact O-N 3.02Å; E154-E156 VanDerWaalsContact O-N 3.16Å; E156-V158 PolarHBondContact O-N 2.95Å | ||
| 157 | E | 48.2 | Very low | 50.2 | Low | 174 Ų | 174 | 146.5 Ų | 146.5 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -60.9 | 99.4 | 169.1 | -72.6 | 177.3 | 151 | 0 | 0 | 109 | I155 E159 | I155-E157 PolarHBondContact O-N 3.11Å; E157-E159 VanDerWaalsContact C-N 3.3Å; E157-E159 PolarHBondContact O-N 2.99Å; E157-E159 VanDerWaalsContact O-N 3.13Å | ||
| 158 | V | 53 | Low | 50.1 | Low | 142 Ų | 142 | 146.3 Ų | 146.3 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -78.7 | 86.7 | 161.9 | -79.7 | 0 | 0 | 0 | 0 | 108.4 | E156 | E156-V158 PolarHBondContact O-N 2.95Š| ||
| 159 | E | 47.5 | Very low | 50 | Low | 156 Ų | 156 | 150.2 Ų | 150.2 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | trans | -67.3 | 156.1 | 160.9 | -66.1 | -170.9 | 144.1 | 0 | 0 | 110.2 | E157 | E157-E159 VanDerWaalsContact C-N 3.3Å; E157-E159 PolarHBondContact O-N 2.99Å; E157-E159 VanDerWaalsContact O-N 3.13Å | ||
| 160 | D | 44 | Very low | 50 | Low | 153 Ų | 153 | 150.4 Ų | 150.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 88.1 | 64.8 | 175.4 | -51.5 | -23.9 | 0 | 0 | 0 | 117.5 | ||||
| 161 | L | 53.5 | Low | 50.2 | Low | 168 Ų | 168 | 149.8 Ų | 149.8 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -81.9 | 109.7 | 149 | -132.1 | 80.5 | 0 | 0 | 0 | 108.3 | V163 | L161-V163 PolarHBondContact O-N 3.1Š| ||
| 162 | E | 47.9 | Very low | 49.8 | Very low | 183 Ų | 183 | 152.7 Ų | 152.7 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -55.8 | 108.9 | 172.4 | -86.9 | -176.4 | 148.9 | 0 | 0 | 110.3 | I164 | E162-I164 PolarHBondContact O-N 3.1Å; E162-I164 VanDerWaalsContact O-N 3.14Å | ||
| 163 | V | 46.6 | Very low | 49.7 | Very low | 119 Ų | 119 | 152.9 Ų | 152.9 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -73.3 | 100.2 | 168.9 | -177.2 | 0 | 0 | 0 | 0 | 107.3 | L161 E165 | L161-V163 PolarHBondContact O-N 3.1Å; V163-E165 HydrophobicContact CG1-CG 4.02Å; V163-E165 PolarHBondContact O-N 3.35Å; V163-E165 VanDerWaalsContact O-N 3.1Å | ||
| 164 | I | 45.8 | Very low | 49.2 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -75.6 | 95.8 | 166.3 | -55.3 | 175.4 | 0 | 0 | 0 | 106.8 | E162 V166 | E162-I164 PolarHBondContact O-N 3.1Å; E162-I164 VanDerWaalsContact O-N 3.14Å; I164-V166 HydrophobicContact CG2-CG2 3.76Å; I164-V166 PolarHBondContact O-N 3.45Å; I164-V166 VanDerWaalsContact O-N 3.1Å | ||
| 165 | E | 42.1 | Very low | 48.6 | Very low | 160 Ų | 160 | 146.1 Ų | 146.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -67.4 | 103.1 | 165.2 | -64.5 | -159.5 | 162.1 | 0 | 0 | 108.3 | V163 | V163-E165 HydrophobicContact CG1-CG 4.02Å; V163-E165 PolarHBondContact O-N 3.35Å; V163-E165 VanDerWaalsContact O-N 3.1Å | ||
| 166 | V | 51.5 | Low | 47.7 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 58% | 0.582 | 77% | 0.771 | S | S | * | * | trans | -93.7 | 96.4 | 167.3 | -173.3 | 0 | 0 | 0 | 0 | 107.2 | I164 N168 | I164-V166 HydrophobicContact CG2-CG2 3.76Å; I164-V166 PolarHBondContact O-N 3.45Å; I164-V166 VanDerWaalsContact O-N 3.1Å; V166-N168 PolarHBondContact O-N 2.76Å; V166-N168 PolarHBondContact O-ND2 3.17Å | ||
| 167 | D | 46.3 | Very low | 47.2 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -53.2 | 105.4 | 164.5 | -71.6 | -39.9 | 0 | 0 | 0 | 108.4 | D169 | D167-D169 VanDerWaalsContact C-N 3.33Å; D167-D169 PolarHBondContact O-N 3.39Å | ||
| 168 | N | 48.3 | Very low | 46.8 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | -99.9 | 60.3 | 175.2 | -76.4 | -80.8 | 0 | 0 | 0 | 109.2 | V166 | V166-N168 PolarHBondContact O-N 2.76Å; V166-N168 PolarHBondContact O-ND2 3.17Å | ||
| 169 | D | 47.1 | Very low | 46.6 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | -109.5 | 75.3 | 166.9 | -78.9 | -28.6 | 0 | 0 | 0 | 108.4 | D167 | D167-D169 VanDerWaalsContact C-N 3.33Å; D167-D169 PolarHBondContact O-N 3.39Å | ||
| 170 | D | 50.2 | Low | 46.7 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -145.6 | 98.1 | 158.5 | -90.4 | -38 | 0 | 0 | 0 | 110.2 | I172 | D170-I172 PolarHBondContact O-N 3.39Š| ||
| 171 | V | 46.2 | Very low | 46.5 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -70.2 | 107.7 | 163.8 | 171.5 | 0 | 0 | 0 | 0 | 107.1 | E173 | V171-E173 HydrophobicContact CG1-CB 4.45Å; V171-E173 PolarHBondContact O-N 3.45Å | ||
| 172 | I | 46.8 | Very low | 46.1 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -89.1 | 96.1 | 164.9 | -58.6 | 178.1 | 0 | 0 | 0 | 107.5 | D170 V174 | D170-I172 PolarHBondContact O-N 3.39Å; I172-V174 HydrophobicContact CG2-CG2 3.8Å; I172-V174 PolarHBondContact O-N 3.4Å | ||
| 173 | E | 44.3 | Very low | 45.9 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | -78.8 | 103.7 | 167.6 | -156.7 | 178.8 | -150.5 | 0 | 0 | 107.8 | V171 T175 | V171-E173 HydrophobicContact CG1-CB 4.45Å; V171-E173 PolarHBondContact O-N 3.45Å; E173-T175 HydrophobicContact CG-CG2 4.22Å; E173-T175 PolarHBondContact O-N 3.38Å | ||
| 174 | V | 48.2 | Very low | 46.3 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -90.8 | 92.6 | 170 | -168 | 0 | 0 | 0 | 0 | 107 | I172 D176 | I172-V174 HydrophobicContact CG2-CG2 3.8Å; I172-V174 PolarHBondContact O-N 3.4Å; V174-D176 PolarHBondContact O-N 3.42Å | ||
| 175 | T | 44.7 | Very low | 46.3 | Very low | 98 Ų | 98 | 145.2 Ų | 145.2 | 60% | 0.601 | 77% | 0.774 | S | S | * | * | trans | -75.5 | 114 | 168.3 | 54.6 | 0 | 0 | 0 | 0 | 108.9 | E173 S177 | E173-T175 HydrophobicContact CG-CG2 4.22Å; E173-T175 PolarHBondContact O-N 3.38Å; T175-S177 PolarHBondContact O-N 3.34Å | ||
| 176 | D | 40.8 | Very low | 46.7 | Very low | 166 Ų | 166 | 145 Ų | 145 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -77.6 | 102.8 | 168.8 | -155 | 1.8 | 0 | 0 | 0 | 107.9 | V174 | V174-D176 PolarHBondContact O-N 3.42Š| ||
| 177 | S | 47.9 | Very low | 46.6 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | -147.3 | 104.7 | 171.5 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | T175 | T175-S177 PolarHBondContact O-N 3.34Š| ||
| 178 | H | 39.9 | Very low | 47.2 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | trans | 7.6 | 118.4 | 146 | -97.5 | 48.3 | 0 | 0 | 0 | 116.9 | ||||
| 179 | I | 48.1 | Very low | 47.7 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | trans | -131.5 | 111.2 | 152.7 | -62.8 | -177.9 | 0 | 0 | 0 | 108.7 | ||||
| 180 | E | 49.6 | Very low | 47.9 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -74 | 146.6 | 164.5 | -75.1 | -174.3 | 150.7 | 0 | 0 | 111.4 | ||||
| 181 | E | 41.5 | Very low | 48 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | 36.2 | 117.1 | 149.5 | -59.6 | -166.3 | 159.7 | 0 | 0 | 120.8 | ||||
| 182 | G | 44.9 | Very low | 48.2 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -175.8 | 85.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 183 | I | 44 | Very low | 48.6 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -48.8 | 136.1 | 171.7 | -62.7 | 159.8 | 0 | 0 | 0 | 112.2 | ||||
| 184 | V | 53.2 | Low | 49.3 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | -171.6 | 136.9 | 122.5 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 185 | R | 46.5 | Very low | 49.4 | Very low | 212 Ų | 212 | 138.8 Ų | 138.8 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -58.5 | 152.1 | -177.5 | -60.1 | 166.2 | 174.1 | 146 | -1.9 | 115.7 | ||||
| 186 | N | 50.5 | Low | 50.1 | Low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | -162 | 147.4 | 114.8 | -112.4 | 13.1 | 0 | 0 | 0 | 113.8 | |||||
| 187 | D | 50 | Low | 50.9 | Low | 120 Ų | 120 | 139.6 Ų | 139.6 | 64% | 0.642 | 78% | 0.781 | S | S | * | * | trans | -69.3 | 155 | -165.9 | -59.9 | -59.4 | 0 | 0 | 0 | 116.1 | ||||
| 188 | Q | 58.6 | Low | 51.6 | Low | 157 Ų | 157 | 142 Ų | 142 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | 124.8 | 127.3 | 112.2 | -138.1 | 109.2 | 76.9 | 0 | 0 | 115.9 | |||||
| 189 | L | 57.7 | Low | 52.6 | Low | 171 Ų | 171 | 139.7 Ų | 139.7 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | trans | 81.8 | 121.1 | 158.6 | -44.3 | 176.4 | 0 | 0 | 0 | 116 | ||||
| 190 | G | 51.6 | Low | 53.1 | Low | 66 Ų | 66 | 138.7 Ų | 138.7 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | 165.5 | 143.8 | 3.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 191 | S | 52.8 | Low | 53.6 | Low | 127 Ų | 127 | 138.1 Ų | 138.1 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | 47.5 | 125.9 | 162.9 | 68.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 192 | G | 50.4 | Low | 54.4 | Low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | cis | 109.5 | 118.5 | 23.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 193 | I | 55.8 | Low | 55.3 | Low | 164 Ų | 164 | 139.6 Ų | 139.6 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | 155.2 | 91.2 | 161.7 | -85.8 | 154.4 | 0 | 0 | 0 | 106.6 | ||||
| 194 | S | 57.7 | Low | 56.1 | Low | 88 Ų | 88 | 138.2 Ų | 138.2 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | 62.9 | 107.2 | 99.5 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 195 | D | 50.9 | Low | 56.6 | Low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | 56.5 | 141.9 | 71.9 | -64 | -25.9 | 0 | 0 | 0 | 112.8 | |||||
| 196 | D | 60.4 | Low | 57.4 | Low | 146 Ų | 146 | 136.5 Ų | 136.5 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | 109 | 88.8 | -179.9 | -52.2 | -21.2 | 0 | 0 | 0 | 111.3 | ||||
| 197 | D | 57.4 | Low | 58 | Low | 136 Ų | 136 | 136.5 Ų | 136.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | 69.5 | 140.8 | 71 | -70.3 | -30.8 | 0 | 0 | 0 | 113.8 | |||||
| 198 | D | 61.8 | Low | 58.9 | Low | 140 Ų | 140 | 138.3 Ų | 138.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 77.2 | 139.9 | 157.7 | -52.4 | -24.2 | 0 | 0 | 0 | 116.6 | ||||
| 199 | D | 61.7 | Low | 59.2 | Low | 129 Ų | 129 | 138.1 Ų | 138.1 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | cis | -167.5 | 137.6 | 1.1 | -88.9 | -34.2 | 0 | 0 | 0 | 103.5 | ||||
| 200 | D | 57.8 | Low | 59.7 | Low | 146 Ų | 146 | 133.5 Ų | 133.5 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | 48.9 | 150.1 | 105.9 | -74.5 | -23.6 | 0 | 0 | 0 | 118 | |||||
| 201 | D | 61.6 | Low | 60.5 | Low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 96.6 | 96 | 171.8 | -51.3 | -28.8 | 0 | 0 | 0 | 115 | ||||
| 202 | D | 58 | Low | 61 | Low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | 53.4 | 113.1 | 75.7 | -72.4 | -24.4 | 0 | 0 | 0 | 113 | |||||
| 203 | D | 62.8 | Low | 61.4 | Low | 156 Ų | 156 | 145.8 Ų | 145.8 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | 179.5 | 97.3 | 152.6 | -86 | -28.3 | 0 | 0 | 0 | 105.6 | ||||
| 204 | D | 60.9 | Low | 61.4 | Low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | 55.6 | 113.1 | 89.9 | -76.5 | -18.1 | 0 | 0 | 0 | 113 | |||||
| 205 | D | 64.6 | Low | 61.4 | Low | 172 Ų | 172 | 142 Ų | 142 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | -163.7 | 93 | 145.4 | -90.1 | -30.2 | 0 | 0 | 0 | 108.5 | ||||
| 206 | D | 62.2 | Low | 61.9 | Low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -56.6 | 152.1 | 158 | -74 | -52 | 0 | 0 | 0 | 111.2 | ||||
| 207 | D | 63.6 | Low | 61.9 | Low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | 159.1 | 98.5 | 141 | -82.8 | -24.4 | 0 | 0 | 0 | 110.4 | ||||
| 208 | D | 68.8 | Low | 61.9 | Low | 158 Ų | 158 | 142.9 Ų | 142.9 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -160.5 | 82.8 | 146.3 | -158.8 | 16.4 | 0 | 0 | 0 | 111.4 | ||||
| 209 | D | 64 | Low | 61.4 | Low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -93.7 | 91.9 | 173.7 | -58.1 | -5.3 | 0 | 0 | 0 | 109.4 | E211 | D209-E211 PolarHBondContact O-N 3.39Š| ||
| 210 | G | 68.9 | Low | 61.4 | Low | 74 Ų | 74 | 145.3 Ų | 145.3 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -76.9 | 111.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 211 | E | 68.3 | Low | 61.5 | Low | 200 Ų | 200 | 142.7 Ų | 142.7 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -63.1 | 130.1 | 171.6 | -62.5 | -179.7 | 155.6 | 0 | 0 | 112.6 | D209 | D209-E211 PolarHBondContact O-N 3.39Š| ||
| 212 | D | 62.8 | Low | 61.4 | Low | 157 Ų | 157 | 143.3 Ų | 143.3 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -133 | 102.6 | 163.7 | -179.9 | 29.1 | 0 | 0 | 0 | 109.4 | ||||
| 213 | D | 59 | Low | 61.8 | Low | 162 Ų | 162 | 143.2 Ų | 143.2 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -143.1 | 133.4 | 149.2 | 79.9 | 4.6 | 0 | 0 | 0 | 111.1 | ||||
| 214 | G | 56.3 | Low | 61.7 | Low | 61 Ų | 61 | 144.6 Ų | 144.6 | 63% | 0.629 | 81% | 0.814 | S | S | * | * | trans | -163.8 | 14.5 | -160.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 215 | S | 57.4 | Low | 61.9 | Low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | 64 | 148.2 | 149.3 | 83.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 216 | S | 62 | Low | 61.8 | Low | 98 Ų | 98 | 144.6 Ų | 144.6 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | trans | 92.9 | 91.6 | 141.4 | -53.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 217 | Q | 60.4 | Low | 62.1 | Low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | 46.5 | 113.5 | 119 | -62.7 | -174.5 | -14.4 | 0 | 0 | 118.6 | |||||
| 218 | N | 56.5 | Low | 62.2 | Low | 169 Ų | 169 | 143.7 Ų | 143.7 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | trans | -136.7 | 121.7 | 142.5 | -112.6 | -4.1 | 0 | 0 | 0 | 109.8 | ||||
| 219 | T | 51.6 | Low | 61.6 | Low | 129 Ų | 129 | 147.8 Ų | 147.8 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -109.6 | 115.9 | 172.8 | 49.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 220 | E | 61.2 | Low | 61.5 | Low | 191 Ų | 191 | 147.6 Ų | 147.6 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -175.1 | 140.7 | 166.7 | -110.6 | 174.3 | 168.1 | 0 | 0 | 105 | ||||
| 221 | A | 60.9 | Low | 61.1 | Low | 91 Ų | 91 | 151.4 Ų | 151.4 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | cis | -157 | 156.6 | 3.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 222 | L | 59.9 | Low | 60.7 | Low | 161 Ų | 161 | 148.7 Ų | 148.7 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -58.8 | 135.6 | 170.9 | -65.2 | 159.5 | 0 | 0 | 0 | 110.7 | ||||
| 223 | N | 64.9 | Low | 60.6 | Low | 147 Ų | 147 | 148.2 Ų | 148.2 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | trans | -148.5 | 87.8 | 155.4 | -122.5 | 3.9 | 0 | 0 | 0 | 108.4 | ||||
| 224 | E | 60.8 | Low | 60.7 | Low | 186 Ų | 186 | 147.4 Ų | 147.4 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -85.3 | 110.9 | 156.4 | -73.1 | 179.1 | 170.3 | 0 | 0 | 106.3 | ||||
| 225 | N | 66.1 | Low | 61 | Low | 132 Ų | 132 | 153.1 Ų | 153.1 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | trans | -135.6 | 120.4 | 158.4 | -83.9 | -43.7 | 0 | 0 | 0 | 107.9 | ||||
| 226 | E | 61.5 | Low | 61.2 | Low | 175 Ų | 175 | 156.2 Ų | 156.2 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -1.1 | 127.5 | 152.8 | -63.7 | 171.2 | 143.7 | 0 | 0 | 116.7 | ||||
| 227 | D | 70.1 | Confident | 61.2 | Low | 143 Ų | 143 | 160.7 Ų | 160.7 | 77% | 0.765 | 84% | 0.844 | S | S | * | * | -160.6 | 109.3 | 128.6 | -94 | -22.2 | 0 | 0 | 0 | 109.3 | |||||
| 228 | I | 64.9 | Low | 61.2 | Low | 137 Ų | 137 | 158.7 Ų | 158.7 | 70% | 0.703 | 84% | 0.842 | S | S | * | * | 89.1 | 118 | 103.6 | -65.5 | 167.6 | 0 | 0 | 0 | 112.9 | |||||
| 229 | L | 56.3 | Low | 61.7 | Low | 243 Ų | 243 | 157.7 Ų | 157.7 | 100% | 1.272 | 84% | 0.836 | S | S | * | * | trans | 81.1 | 0 | 166.9 | -87 | 150.3 | 0 | 0 | 0 | 119.4 |
Retrieved 229 of 229 residues in 47.5 ms
(Link to these results)