| 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 | 37.6 | Very low | 44.5 | Very low | 242 Ų | 242 | 151.1 Ų | 151.1 | 100% | 1.192 | 83% | 0.832 | S | S | * | * | 0 | 152.5 | 0 | -107.9 | 159.5 | 66.6 | 0 | 0 | 107.9 | |||||
| 2 | E | 48.8 | Very low | 44.4 | Very low | 181 Ų | 181 | 154.6 Ų | 154.6 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | trans | -42.5 | 157.1 | -176.1 | -68.4 | 168.8 | 124.4 | 0 | 0 | 114.3 | ||||
| 3 | I | 39.9 | Very low | 44 | Very low | 142 Ų | 142 | 154.9 Ų | 154.9 | 73% | 0.728 | 83% | 0.834 | S | S | * | * | cis | -143.5 | 132 | 48.5 | -71.8 | 162.1 | 0 | 0 | 0 | 113.3 | L5 | I3-L5 HydrophobicContact CG2-CB 3.96Å; I3-L5 HydrophobicContact CG2-CD1 3.93Å; I3-L5 HydrophobicContact CG2-CG 3.82Å | ||
| 4 | V | 55.5 | Low | 44.2 | Very low | 144 Ų | 144 | 156.9 Ų | 156.9 | 87% | 0.873 | 84% | 0.843 | S | S | * | * | trans | -86 | 122.7 | 153.5 | 170.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 5 | L | 50.3 | Low | 44.4 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | -149.2 | 127.4 | 162.1 | -94.5 | 174.3 | 0 | 0 | 0 | 110.6 | I3 | I3-L5 HydrophobicContact CG2-CB 3.96Å; I3-L5 HydrophobicContact CG2-CD1 3.93Å; I3-L5 HydrophobicContact CG2-CG 3.82Å | ||
| 6 | L | 41.5 | Very low | 44.7 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | 61.9 | 102.5 | 152.9 | -56.9 | 170.9 | 0 | 0 | 0 | 115.4 | ||||
| 7 | L | 43.8 | Very low | 45 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | 42 | 124.8 | 53.7 | -85.7 | 176.5 | 0 | 0 | 0 | 114.5 | |||||
| 8 | E | 42.9 | Very low | 45.4 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | 83.7 | 78.3 | 163.3 | -150.6 | 143.5 | -154.5 | 0 | 0 | 118.4 | ||||
| 9 | T | 38.3 | Very low | 45.6 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -125.6 | 129.5 | 136.8 | 55.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 10 | P | 42.9 | Very low | 45.7 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -82.5 | 134.1 | 177.4 | 31.8 | -32.8 | 0 | 0 | 0 | 110.8 | ||||
| 11 | G | 48.3 | Very low | 45.9 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | 67.5 | 87.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 12 | K | 42.9 | Very low | 46.6 | Very low | 193 Ų | 193 | 132.1 Ų | 132.1 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | trans | -138.4 | 148.5 | 142.8 | -73.7 | -163.2 | 173.2 | 56.6 | 0 | 109.5 | ||||
| 13 | D | 38.6 | Very low | 46.7 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | trans | -68.6 | 141.8 | -156 | -59.6 | -83.2 | 0 | 0 | 0 | 114.9 | G15 | D13-G15 VanDerWaalsContact C-N 3.27Å; D13-G15 PolarHBondContact O-N 2.97Å | ||
| 14 | L | 47.2 | Very low | 47 | Very low | 183 Ų | 183 | 128.9 Ų | 128.9 | 96% | 0.958 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 70.5 | -180 | -165.2 | 76.7 | 0 | 0 | 0 | 110 | ||
| 15 | G | 47.6 | Very low | 46.5 | Very low | 46 Ų | 46 | 128.2 Ų | 128.2 | 47% | 0.474 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -128 | -54.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | D13 I17 | D13-G15 VanDerWaalsContact C-N 3.27Å; D13-G15 PolarHBondContact O-N 2.97Å; G15-I17 PolarHBondContact O-N 3.42Å |
| 16 | D | 48.7 | Very low | 46.6 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -105.7 | 44.1 | -155.8 | -57.3 | -34.4 | 0 | 0 | 0 | 115.1 | ||
| 17 | I | 50.3 | Low | 47.2 | Very low | 126 Ų | 126 | 124 Ų | 124 | 65% | 0.646 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -104.6 | -27.3 | 176.5 | -61.1 | -179.7 | 0 | 0 | 0 | 115.8 | G15 D19 | G15-I17 PolarHBondContact O-N 3.42Å; I17-D19 PolarHBondContact O-N 3.45Å |
| 18 | P | 51.5 | Low | 47.7 | Very low | 87 Ų | 87 | 119.9 Ų | 119.9 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.2 | -34 | -173.3 | 27.4 | -32.7 | 0 | 0 | 0 | 113.9 | L20 D22 | P18-L20 PolarHBondContact O-N 3.13Å; P18-D22 PolarHBondContact O-N 3.47Å |
| 19 | D | 49.4 | Very low | 48.4 | Very low | 116 Ų | 116 | 113.9 Ų | 113.9 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.6 | -30.4 | -169.3 | -67.6 | -16.9 | 0 | 0 | 0 | 114.1 | I17 D22 H23 | I17-D19 PolarHBondContact O-N 3.45Å; D19-D22 PolarHBondContact O-N 3.24Å; D19-H23 PolarHBondContact O-N 2.68Å; D19-H23 VanDerWaalsContact O-N 3.15Å |
| 20 | L | 47.6 | Very low | 49.4 | Very low | 144 Ų | 144 | 112 Ų | 112 | 75% | 0.754 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.2 | -34.3 | -178.5 | -167.4 | 66.2 | 0 | 0 | 0 | 112 | P18 H24 | P18-L20 PolarHBondContact O-N 3.13Å; L20-H24 PolarHBondContact O-N 3.15Å |
| 21 | V | 50.8 | Low | 50 | Low | 95 Ų | 95 | 110.9 Ų | 110.9 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.9 | -40.8 | 174.1 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | H23 H24 W25 | V21-H23 PolarHBondContact O-N 3.27Å; V21-H24 PolarHBondContact O-N 3.48Å; V21-W25 PolarHBondContact O-N 3.47Å |
| 22 | D | 52.5 | Low | 50.4 | Low | 50 Ų | 50 | 116.2 Ų | 116.2 | 27% | 0.267 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.3 | -46.7 | 179.6 | -160.5 | 52.7 | 0 | 0 | 0 | 112.1 | P18 D19 H24 W25 R26 | P18-D22 PolarHBondContact O-N 3.47Å; D19-D22 PolarHBondContact O-N 3.24Å; D22-H24 PolarHBondContact O-N 3.01Å; D22-W25 VanDerWaalsContact CA-CD1 3.46Å; D22-W25 PolarHBondContact O-NE1 3.04Å; D22-W25 PolarHBondContact OD1-NE1 2.76Å; D22-R26 WeakPolarHBondContact O-CB 3.37Å; D22-R26 VanDerWaalsContact O-CG 3.25Å; D22-R26 WeakPolarHBondContact O-CG 3.29Å; D22-R26 PolarHBondContact O-N 2.97Å; D22-R26 VanDerWaalsContact O-N 3.08Å; D22-R26 IonicContact OD1-CZ 3.62Å; D22-R26 IonicContact OD1-NE 3.36Å; D22-R26 PolarHBondContact OD1-NE 3.49Å; D22-R26 IonicContact OD1-NH2 3.47Å; D22-R26 IonicContact OD2-CZ 2.74Å; D22-R26 IonicContact OD2-NE 3.5Å; D22-R26 PolarHBondContact OD2-NE 3.25Å; D22-R26 IonicContact OD2-NH2 3.91Å; D22-R26 PolarHBondContact OD2-NH2 3.46Å |
| 23 | H | 49.4 | Very low | 51.1 | Low | 129 Ų | 129 | 113.7 Ų | 113.7 | 60% | 0.597 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.8 | -36.9 | 176 | -90.7 | -79 | 0 | 0 | 0 | 113.8 | D19 V21 T27 | D19-H23 PolarHBondContact O-N 2.68Å; D19-H23 VanDerWaalsContact O-N 3.15Å; V21-H23 PolarHBondContact O-N 3.27Å; H23-T27 WeakPolarHBondContact O-CB 3.34Å; H23-T27 PolarHBondContact O-N 3.32Å; H23-T27 PolarHBondContact O-OG1 2.74Å |
| 24 | H | 46.1 | Very low | 51.9 | Low | 126 Ų | 126 | 111.4 Ų | 111.4 | 58% | 0.583 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.3 | -42.5 | -180 | -171.8 | -106.5 | 0 | 0 | 0 | 112.5 | L20 V21 D22 T27 N28 | L20-H24 PolarHBondContact O-N 3.15Å; V21-H24 PolarHBondContact O-N 3.48Å; D22-H24 PolarHBondContact O-N 3.01Å; H24-T27 PolarHBondContact O-OG1 3.05Å; H24-N28 PolarHBondContact CD2-ND2 3.44Å; H24-N28 PolarHBondContact CE1-ND2 3.42Å; H24-N28 PolarHBondContact ND1-ND2 2.93Å; H24-N28 PolarHBondContact NE2-ND2 3.13Å; H24-N28 VanDerWaalsContact NE2-ND2 3.13Å; H24-N28 WeakPolarHBondContact O-CB 3.45Å; H24-N28 PolarHBondContact O-N 3.27Å; H24-N28 PolarHBondContact O-ND2 2.74Å |
| 25 | W | 45.3 | Very low | 52.3 | Low | 131 Ų | 131 | 109.8 Ų | 109.8 | 50% | 0.496 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.2 | -39.9 | 176.3 | 87.4 | -93.9 | 0 | 0 | 0 | 111.2 | V21 D22 T27 N28 V29 | V21-W25 PolarHBondContact O-N 3.47Å; D22-W25 VanDerWaalsContact CA-CD1 3.46Å; D22-W25 PolarHBondContact O-NE1 3.04Å; D22-W25 PolarHBondContact OD1-NE1 2.76Å; W25-T27 PolarHBondContact O-N 3.44Å; W25-N28 PolarHBondContact O-N 3.43Å; W25-V29 HydrophobicContact CE3-CB 4.19Å; W25-V29 HydrophobicContact CE3-CG2 3.64Å; W25-V29 HydrophobicContact CZ3-CB 4.29Å; W25-V29 HydrophobicContact CZ3-CG1 4.4Å; W25-V29 HydrophobicContact CZ3-CG2 3.98Å; W25-V29 WeakPolarHBondContact O-CB 3.36Å; W25-V29 WeakPolarHBondContact O-CG2 3.25Å; W25-V29 PolarHBondContact O-N 3.41Å |
| 26 | R | 52.4 | Low | 52.8 | Low | 123 Ų | 123 | 111.9 Ų | 111.9 | 46% | 0.464 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.7 | -46.3 | 175.3 | -74 | -178.2 | -159.9 | -109.4 | 4.3 | 112.1 | D22 V29 I30 | D22-R26 WeakPolarHBondContact O-CB 3.37Å; D22-R26 VanDerWaalsContact O-CG 3.25Å; D22-R26 WeakPolarHBondContact O-CG 3.29Å; D22-R26 PolarHBondContact O-N 2.97Å; D22-R26 VanDerWaalsContact O-N 3.08Å; D22-R26 IonicContact OD1-CZ 3.62Å; D22-R26 IonicContact OD1-NE 3.36Å; D22-R26 PolarHBondContact OD1-NE 3.49Å; D22-R26 IonicContact OD1-NH2 3.47Å; D22-R26 IonicContact OD2-CZ 2.74Å; D22-R26 IonicContact OD2-NE 3.5Å; D22-R26 PolarHBondContact OD2-NE 3.25Å; D22-R26 IonicContact OD2-NH2 3.91Å; D22-R26 PolarHBondContact OD2-NH2 3.46Å; R26-V29 PolarHBondContact O-N 2.72Å; R26-I30 HydrophobicContact CB-CD1 4.48Å; R26-I30 VanDerWaalsContact O-CB 3.23Å; R26-I30 WeakPolarHBondContact O-CB 3.35Å; R26-I30 WeakPolarHBondContact O-CD1 3.21Å; R26-I30 WeakPolarHBondContact O-CG1 3.43Å; R26-I30 PolarHBondContact O-N 3.43Å |
| 27 | T | 54.1 | Low | 53.4 | Low | 68 Ų | 68 | 107.5 Ų | 107.5 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 177.7 | 42 | 0 | 0 | 0 | 0 | 112.2 | H23 H24 W25 N31 | H23-T27 WeakPolarHBondContact O-CB 3.34Å; H23-T27 PolarHBondContact O-N 3.32Å; H23-T27 PolarHBondContact O-OG1 2.74Å; H24-T27 PolarHBondContact O-OG1 3.05Å; W25-T27 PolarHBondContact O-N 3.44Å; T27-N31 WeakPolarHBondContact O-CB 3.47Å; T27-N31 PolarHBondContact O-N 2.9Å; T27-N31 PolarHBondContact O-ND2 3.47Å; T27-N31 VanDerWaalsContact O-ND2 3.1Å |
| 28 | N | 55.2 | Low | 53.7 | Low | 79 Ų | 79 | 105.4 Ų | 105.4 | 42% | 0.422 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 175.8 | -78.6 | -71.1 | 0 | 0 | 0 | 112.6 | H24 W25 N31 Y32 | H24-N28 PolarHBondContact CD2-ND2 3.44Å; H24-N28 PolarHBondContact CE1-ND2 3.42Å; H24-N28 PolarHBondContact ND1-ND2 2.93Å; H24-N28 PolarHBondContact NE2-ND2 3.13Å; H24-N28 VanDerWaalsContact NE2-ND2 3.13Å; H24-N28 WeakPolarHBondContact O-CB 3.45Å; H24-N28 PolarHBondContact O-N 3.27Å; H24-N28 PolarHBondContact O-ND2 2.74Å; W25-N28 PolarHBondContact O-N 3.43Å; N28-N31 PolarHBondContact O-N 2.7Å; N28-Y32 WeakPolarHBondContact O-CB 3.36Å; N28-Y32 PolarHBondContact O-N 2.91Å |
| 29 | V | 57.6 | Low | 54.4 | Low | 57 Ų | 57 | 106 Ų | 106 | 35% | 0.345 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 175.7 | 168 | 0 | 0 | 0 | 0 | 111.4 | W25 R26 N31 Y32 F33 | W25-V29 HydrophobicContact CE3-CB 4.19Å; W25-V29 HydrophobicContact CE3-CG2 3.64Å; W25-V29 HydrophobicContact CZ3-CB 4.29Å; W25-V29 HydrophobicContact CZ3-CG1 4.4Å; W25-V29 HydrophobicContact CZ3-CG2 3.98Å; W25-V29 WeakPolarHBondContact O-CB 3.36Å; W25-V29 WeakPolarHBondContact O-CG2 3.25Å; W25-V29 PolarHBondContact O-N 3.41Å; R26-V29 PolarHBondContact O-N 2.72Å; V29-N31 VanDerWaalsContact C-N 3.34Å; V29-N31 PolarHBondContact O-N 3.37Å; V29-Y32 PolarHBondContact O-N 3.36Å; V29-F33 HydrophobicContact CG1-CD2 3.62Å; V29-F33 HydrophobicContact CG1-CE2 3.71Å; V29-F33 WeakPolarHBondContact O-CD2 3.25Å; V29-F33 PolarHBondContact O-N 3.27Å |
| 30 | I | 59 | Low | 55.2 | Low | 94 Ų | 94 | 103.3 Ų | 103.3 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175 | -70.7 | 165.6 | 0 | 0 | 0 | 110.5 | R26 Y32 F33 L34 | R26-I30 HydrophobicContact CB-CD1 4.48Å; R26-I30 VanDerWaalsContact O-CB 3.23Å; R26-I30 WeakPolarHBondContact O-CB 3.35Å; R26-I30 WeakPolarHBondContact O-CD1 3.21Å; R26-I30 WeakPolarHBondContact O-CG1 3.43Å; R26-I30 PolarHBondContact O-N 3.43Å; I30-Y32 PolarHBondContact O-N 2.7Å; I30-F33 PolarHBondContact O-N 3.17Å; I30-L34 HydrophobicContact CG2-CD1 3.6Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 WeakPolarHBondContact O-CD1 3.4Å; I30-L34 PolarHBondContact O-N 2.98Å |
| 31 | N | 56 | Low | 56.2 | Low | 97 Ų | 97 | 100.6 Ų | 100.6 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 175.4 | -74.9 | -29.3 | 0 | 0 | 0 | 112.2 | T27 N28 V29 L34 F35 | T27-N31 WeakPolarHBondContact O-CB 3.47Å; T27-N31 PolarHBondContact O-N 2.9Å; T27-N31 PolarHBondContact O-ND2 3.47Å; T27-N31 VanDerWaalsContact O-ND2 3.1Å; N28-N31 PolarHBondContact O-N 2.7Å; V29-N31 VanDerWaalsContact C-N 3.34Å; V29-N31 PolarHBondContact O-N 3.37Å; N31-L34 PolarHBondContact O-N 2.84Å; N31-F35 WeakPolarHBondContact O-CB 3.4Å; N31-F35 PolarHBondContact O-N 3.31Å |
| 32 | Y | 57 | Low | 57.1 | Low | 182 Ų | 182 | 102.1 Ų | 102.1 | 71% | 0.714 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67 | -44.6 | 175.9 | -146.7 | -87.9 | 0 | 0 | 0 | 111.4 | N28 V29 I30 F35 D36 | N28-Y32 WeakPolarHBondContact O-CB 3.36Å; N28-Y32 PolarHBondContact O-N 2.91Å; V29-Y32 PolarHBondContact O-N 3.36Å; I30-Y32 PolarHBondContact O-N 2.7Å; Y32-F35 PolarHBondContact O-N 2.76Å; Y32-D36 WeakPolarHBondContact O-CB 3.42Å; Y32-D36 PolarHBondContact O-N 3.48Å |
| 33 | F | 56.1 | Low | 58 | Low | 141 Ų | 141 | 102.7 Ų | 102.7 | 62% | 0.618 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -37.4 | 173.9 | -87.7 | -74.6 | 0 | 0 | 0 | 112.7 | V29 I30 S37 | V29-F33 HydrophobicContact CG1-CD2 3.62Å; V29-F33 HydrophobicContact CG1-CE2 3.71Å; V29-F33 WeakPolarHBondContact O-CD2 3.25Å; V29-F33 PolarHBondContact O-N 3.27Å; I30-F33 PolarHBondContact O-N 3.17Å; F33-S37 WeakPolarHBondContact O-CB 3.22Å; F33-S37 PolarHBondContact O-N 3.08Å; F33-S37 PolarHBondContact O-OG 2.92Å |
| 34 | L | 56.1 | Low | 59.2 | Low | 111 Ų | 111 | 102.2 Ų | 102.2 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.2 | -39.3 | 173.2 | -102.3 | 128.3 | 0 | 0 | 0 | 111.9 | I30 N31 C38 | I30-L34 HydrophobicContact CG2-CD1 3.6Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 WeakPolarHBondContact O-CD1 3.4Å; I30-L34 PolarHBondContact O-N 2.98Å; N31-L34 PolarHBondContact O-N 2.84Å; L34-C38 WeakPolarHBondContact O-CB 3.4Å; L34-C38 PolarHBondContact O-N 2.82Å |
| 35 | F | 55.4 | Low | 60.4 | Low | 149 Ų | 149 | 101.6 Ų | 101.6 | 65% | 0.654 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.1 | -44.6 | 177.5 | -170.7 | -98.8 | 0 | 0 | 0 | 111.1 | N31 Y32 C38 Q39 | N31-F35 WeakPolarHBondContact O-CB 3.4Å; N31-F35 PolarHBondContact O-N 3.31Å; Y32-F35 PolarHBondContact O-N 2.76Å; F35-C38 PolarHBondContact O-N 3.26Å; F35-Q39 VanDerWaalsContact O-CB 3.26Å; F35-Q39 WeakPolarHBondContact O-CB 3.38Å; F35-Q39 PolarHBondContact O-N 2.73Å |
| 36 | D | 59.1 | Low | 61.8 | Low | 89 Ų | 89 | 98.5 Ų | 98.5 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69 | -38.4 | 176 | -164.9 | 37.3 | 0 | 0 | 0 | 112.2 | Y32 C38 Q39 T40 | Y32-D36 WeakPolarHBondContact O-CB 3.42Å; Y32-D36 PolarHBondContact O-N 3.48Å; D36-C38 VanDerWaalsContact C-N 3.34Å; D36-C38 PolarHBondContact O-N 3.13Å; D36-Q39 PolarHBondContact O-N 2.87Å; D36-T40 WeakPolarHBondContact O-CB 3.47Å; D36-T40 WeakPolarHBondContact O-CG2 3.41Å; D36-T40 PolarHBondContact O-N 3.36Å; D36-T40 PolarHBondContact O-OG1 3.07Å |
| 37 | S | 60.1 | Low | 62.7 | Low | 63 Ų | 63 | 97.8 Ų | 97.8 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 170.9 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | F33 T40 M41 | F33-S37 WeakPolarHBondContact O-CB 3.22Å; F33-S37 PolarHBondContact O-N 3.08Å; F33-S37 PolarHBondContact O-OG 2.92Å; S37-T40 WeakPolarHBondContact CA-OG1 3.49Å; S37-T40 PolarHBondContact O-OG1 3.43Å; S37-T40 VanDerWaalsContact O-OG1 3.05Å; S37-M41 VanDerWaalsContact O-CB 3.28Å; S37-M41 WeakPolarHBondContact O-CB 3.47Å; S37-M41 WeakPolarHBondContact O-CG 3.38Å; S37-M41 PolarHBondContact O-N 3.39Å |
| 38 | C | 56.7 | Low | 63.5 | Low | 83 Ų | 83 | 98.8 Ų | 98.8 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.3 | -39.7 | 175.3 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | L34 F35 D36 M41 F42 | L34-C38 WeakPolarHBondContact O-CB 3.4Å; L34-C38 PolarHBondContact O-N 2.82Å; F35-C38 PolarHBondContact O-N 3.26Å; D36-C38 VanDerWaalsContact C-N 3.34Å; D36-C38 PolarHBondContact O-N 3.13Å; C38-M41 PolarHBondContact O-N 2.92Å; C38-F42 VanDerWaalsContact O-CB 3.29Å; C38-F42 WeakPolarHBondContact O-CB 3.13Å; C38-F42 PolarHBondContact O-N 3.5Å |
| 39 | Q | 67 | Low | 64.2 | Low | 100 Ų | 100 | 98.4 Ų | 98.4 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.6 | -41.2 | 178.2 | -173.7 | 65.5 | 5.5 | 0 | 0 | 111.7 | F35 D36 F42 T43 | F35-Q39 VanDerWaalsContact O-CB 3.26Å; F35-Q39 WeakPolarHBondContact O-CB 3.38Å; F35-Q39 PolarHBondContact O-N 2.73Å; D36-Q39 PolarHBondContact O-N 2.87Å; Q39-F42 PolarHBondContact O-N 3.1Å; Q39-T43 WeakPolarHBondContact O-CB 3.44Å; Q39-T43 WeakPolarHBondContact O-CG2 3.4Å; Q39-T43 PolarHBondContact O-N 3.46Å; Q39-T43 PolarHBondContact O-OG1 3.14Å |
| 40 | T | 65.8 | Low | 64.6 | Low | 58 Ų | 58 | 101 Ų | 101 | 36% | 0.356 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 172.3 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | D36 S37 F42 T43 F44 | D36-T40 WeakPolarHBondContact O-CB 3.47Å; D36-T40 WeakPolarHBondContact O-CG2 3.41Å; D36-T40 PolarHBondContact O-N 3.36Å; D36-T40 PolarHBondContact O-OG1 3.07Å; S37-T40 WeakPolarHBondContact CA-OG1 3.49Å; S37-T40 PolarHBondContact O-OG1 3.43Å; S37-T40 VanDerWaalsContact O-OG1 3.05Å; T40-F42 VanDerWaalsContact C-N 3.34Å; T40-F42 PolarHBondContact O-N 2.79Å; T40-T43 WeakPolarHBondContact CA-OG1 3.35Å; T40-T43 PolarHBondContact O-N 3.06Å; T40-T43 PolarHBondContact O-OG1 3.13Å; T40-F44 WeakPolarHBondContact O-CB 3.45Å; T40-F44 WeakPolarHBondContact O-CD2 3.38Å; T40-F44 PolarHBondContact O-N 3.09Å |
| 41 | M | 68.9 | Low | 64.6 | Low | 88 Ų | 88 | 101.3 Ų | 101.3 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 172 | -73 | -85.4 | 84.1 | 0 | 0 | 112.5 | S37 C38 F44 L45 | S37-M41 VanDerWaalsContact O-CB 3.28Å; S37-M41 WeakPolarHBondContact O-CB 3.47Å; S37-M41 WeakPolarHBondContact O-CG 3.38Å; S37-M41 PolarHBondContact O-N 3.39Å; C38-M41 PolarHBondContact O-N 2.92Å; M41-F44 PolarHBondContact O-N 3.46Å; M41-L45 WeakPolarHBondContact O-CB 3.22Å; M41-L45 VanDerWaalsContact O-CG 3.25Å; M41-L45 WeakPolarHBondContact O-CG 3.46Å; M41-L45 PolarHBondContact O-N 3.02Å |
| 42 | F | 69.4 | Low | 64.7 | Low | 127 Ų | 127 | 100 Ų | 100 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.4 | -43.3 | 178.6 | -167.3 | -97.1 | 0 | 0 | 0 | 112.1 | C38 Q39 T40 L45 V46 | C38-F42 VanDerWaalsContact O-CB 3.29Å; C38-F42 WeakPolarHBondContact O-CB 3.13Å; C38-F42 PolarHBondContact O-N 3.5Å; Q39-F42 PolarHBondContact O-N 3.1Å; T40-F42 VanDerWaalsContact C-N 3.34Å; T40-F42 PolarHBondContact O-N 2.79Å; F42-L45 PolarHBondContact O-N 3.39Å; F42-V46 HydrophobicContact CD1-CG2 4.2Å; F42-V46 HydrophobicContact CE1-CG2 3.99Å; F42-V46 WeakPolarHBondContact O-CG2 3.23Å; F42-V46 PolarHBondContact O-N 3.25Å |
| 43 | T | 71.8 | Confident | 64.7 | Low | 61 Ų | 61 | 96.1 Ų | 96.1 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 175.4 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | Q39 T40 V46 L47 | Q39-T43 WeakPolarHBondContact O-CB 3.44Å; Q39-T43 WeakPolarHBondContact O-CG2 3.4Å; Q39-T43 PolarHBondContact O-N 3.46Å; Q39-T43 PolarHBondContact O-OG1 3.14Å; T40-T43 WeakPolarHBondContact CA-OG1 3.35Å; T40-T43 PolarHBondContact O-N 3.06Å; T40-T43 PolarHBondContact O-OG1 3.13Å; T43-V46 PolarHBondContact O-N 3.15Å; T43-L47 WeakPolarHBondContact O-CB 3.34Å; T43-L47 PolarHBondContact O-N 2.96Å |
| 44 | F | 73.9 | Confident | 64.6 | Low | 120 Ų | 120 | 92.6 Ų | 92.6 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 170.4 | -85.1 | -64.5 | 0 | 0 | 0 | 112.6 | T40 M41 V46 L47 L48 | T40-F44 WeakPolarHBondContact O-CB 3.45Å; T40-F44 WeakPolarHBondContact O-CD2 3.38Å; T40-F44 PolarHBondContact O-N 3.09Å; M41-F44 PolarHBondContact O-N 3.46Å; F44-V46 VanDerWaalsContact C-N 3.34Å; F44-V46 PolarHBondContact O-N 3.3Å; F44-L47 PolarHBondContact O-N 2.85Å; F44-L48 WeakPolarHBondContact O-CB 3.28Å; F44-L48 VanDerWaalsContact O-CG 3.25Å; F44-L48 WeakPolarHBondContact O-CG 3.21Å; F44-L48 PolarHBondContact O-N 2.83Å |
| 45 | L | 71.4 | Confident | 64.7 | Low | 113 Ų | 113 | 92.3 Ų | 92.3 | 59% | 0.592 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | 174.2 | -74 | 167.8 | 0 | 0 | 0 | 111.7 | M41 F42 S49 | M41-L45 WeakPolarHBondContact O-CB 3.22Å; M41-L45 VanDerWaalsContact O-CG 3.25Å; M41-L45 WeakPolarHBondContact O-CG 3.46Å; M41-L45 PolarHBondContact O-N 3.02Å; F42-L45 PolarHBondContact O-N 3.39Å; L45-S49 WeakPolarHBondContact O-CB 3.38Å; L45-S49 PolarHBondContact O-N 2.88Å; L45-S49 PolarHBondContact O-OG 3.36Å |
| 46 | V | 74.1 | Confident | 64.5 | Low | 66 Ų | 66 | 92.9 Ų | 92.9 | 40% | 0.4 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -49.8 | 173 | 172 | 0 | 0 | 0 | 0 | 110.4 | F42 T43 F44 L48 S49 Q50 | F42-V46 HydrophobicContact CD1-CG2 4.2Å; F42-V46 HydrophobicContact CE1-CG2 3.99Å; F42-V46 WeakPolarHBondContact O-CG2 3.23Å; F42-V46 PolarHBondContact O-N 3.25Å; T43-V46 PolarHBondContact O-N 3.15Å; F44-V46 VanDerWaalsContact C-N 3.34Å; F44-V46 PolarHBondContact O-N 3.3Å; V46-L48 PolarHBondContact O-N 2.86Å; V46-S49 PolarHBondContact O-N 3.18Å; V46-S49 VanDerWaalsContact O-N 3.08Å; V46-S49 PolarHBondContact O-OG 2.93Å; V46-Q50 WeakPolarHBondContact O-CG 3.24Å; V46-Q50 PolarHBondContact O-N 2.89Å; V46-Q50 VanDerWaalsContact O-N 3.16Å |
| 47 | L | 72.6 | Confident | 64.2 | Low | 107 Ų | 107 | 91 Ų | 91 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.1 | -44.9 | 176.4 | -83.8 | 160.2 | 0 | 0 | 0 | 113 | T43 F44 S49 Q50 L51 | T43-L47 WeakPolarHBondContact O-CB 3.34Å; T43-L47 PolarHBondContact O-N 2.96Å; F44-L47 PolarHBondContact O-N 2.85Å; L47-S49 VanDerWaalsContact C-N 3.27Å; L47-S49 PolarHBondContact O-N 3.45Å; L47-Q50 PolarHBondContact O-N 3.02Å; L47-Q50 VanDerWaalsContact O-N 3.13Å; L47-L51 PolarHBondContact O-N 3.28Å; L47-L51 VanDerWaalsContact O-N 3.15Å |
| 48 | L | 71.4 | Confident | 63.4 | Low | 90 Ų | 90 | 96.3 Ų | 96.3 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -28.9 | 176.6 | -71.5 | 169.9 | 0 | 0 | 0 | 112.8 | F44 V46 L51 P52 | F44-L48 WeakPolarHBondContact O-CB 3.28Å; F44-L48 VanDerWaalsContact O-CG 3.25Å; F44-L48 WeakPolarHBondContact O-CG 3.21Å; F44-L48 PolarHBondContact O-N 2.83Å; V46-L48 PolarHBondContact O-N 2.86Å; L48-L51 HydrophobicContact CD2-CD1 3.97Å; L48-P52 VanDerWaalsContact O-CD 3.27Å; L48-P52 WeakPolarHBondContact O-CD 3.41Å |
| 49 | S | 69.2 | Low | 62.9 | Low | 70 Ų | 70 | 98.2 Ų | 98.2 | 49% | 0.49 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -77.3 | -20.1 | 173.4 | 70.6 | 0 | 0 | 0 | 0 | 114.2 | L45 V46 L47 | L45-S49 WeakPolarHBondContact O-CB 3.38Å; L45-S49 PolarHBondContact O-N 2.88Å; L45-S49 PolarHBondContact O-OG 3.36Å; V46-S49 PolarHBondContact O-N 3.18Å; V46-S49 VanDerWaalsContact O-N 3.08Å; V46-S49 PolarHBondContact O-OG 2.93Å; L47-S49 VanDerWaalsContact C-N 3.27Å; L47-S49 PolarHBondContact O-N 3.45Å |
| 50 | Q | 65.3 | Low | 61.9 | Low | 113 Ų | 113 | 101.9 Ų | 101.9 | 53% | 0.528 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -88.7 | -25 | 175.6 | -60.8 | -58 | -27.6 | 0 | 0 | 113.5 | V46 L47 T53 | V46-Q50 WeakPolarHBondContact O-CG 3.24Å; V46-Q50 PolarHBondContact O-N 2.89Å; V46-Q50 VanDerWaalsContact O-N 3.16Å; L47-Q50 PolarHBondContact O-N 3.02Å; L47-Q50 VanDerWaalsContact O-N 3.13Å; Q50-T53 WeakPolarHBondContact O-CB 3.47Å; Q50-T53 PolarHBondContact O-N 3.45Å; Q50-T53 VanDerWaalsContact O-N 3.14Å; Q50-T53 PolarHBondContact O-OG1 2.84Å |
| 51 | L | 59.9 | Low | 60.6 | Low | 99 Ų | 99 | 105.1 Ų | 105.1 | 52% | 0.518 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -53.8 | -43.1 | 178.3 | -93.7 | 157.4 | 0 | 0 | 0 | 114.7 | L47 L48 T53 A54 T55 | L47-L51 PolarHBondContact O-N 3.28Å; L47-L51 VanDerWaalsContact O-N 3.15Å; L48-L51 HydrophobicContact CD2-CD1 3.97Å; L51-T53 PolarHBondContact O-N 2.67Å; L51-A54 PolarHBondContact O-N 2.83Å; L51-A54 VanDerWaalsContact O-N 3.15Å; L51-T55 PolarHBondContact O-N 2.86Å; L51-T55 PolarHBondContact O-OG1 2.79Å |
| 52 | P | 58.6 | Low | 59.6 | Low | 71 Ų | 71 | 107.6 Ų | 107.6 | 46% | 0.461 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -58.1 | -35.3 | 176.6 | -26.2 | 35.2 | 0 | 0 | 0 | 113.7 | L48 A54 T55 | L48-P52 VanDerWaalsContact O-CD 3.27Å; L48-P52 WeakPolarHBondContact O-CD 3.41Å; P52-A54 VanDerWaalsContact C-N 3.29Å; P52-A54 PolarHBondContact O-N 3.1Å; P52-T55 WeakPolarHBondContact CA-OG1 3.02Å; P52-T55 PolarHBondContact O-N 3.43Å; P52-T55 PolarHBondContact O-OG1 3.09Å |
| 53 | T | 55.9 | Low | 57.9 | Low | 100 Ų | 100 | 113.4 Ų | 113.4 | 61% | 0.613 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67 | -30.5 | -179.5 | -38 | 0 | 0 | 0 | 0 | 111.9 | Q50 L51 | Q50-T53 WeakPolarHBondContact O-CB 3.47Å; Q50-T53 PolarHBondContact O-N 3.45Å; Q50-T53 VanDerWaalsContact O-N 3.14Å; Q50-T53 PolarHBondContact O-OG1 2.84Å; L51-T53 PolarHBondContact O-N 2.67Å |
| 54 | A | 54.9 | Low | 56.5 | Low | 66 Ų | 66 | 113.3 Ų | 113.3 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -80.3 | -31.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L51 P52 | L51-A54 PolarHBondContact O-N 2.83Å; L51-A54 VanDerWaalsContact O-N 3.15Å; P52-A54 VanDerWaalsContact C-N 3.29Å; P52-A54 PolarHBondContact O-N 3.1Å |
| 55 | T | 57 | Low | 55.1 | Low | 106 Ų | 106 | 114.1 Ų | 114.1 | 65% | 0.65 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -84.8 | -7.2 | -173.4 | 47.8 | 0 | 0 | 0 | 0 | 116 | L51 P52 | L51-T55 PolarHBondContact O-N 2.86Å; L51-T55 PolarHBondContact O-OG1 2.79Å; P52-T55 WeakPolarHBondContact CA-OG1 3.02Å; P52-T55 PolarHBondContact O-N 3.43Å; P52-T55 PolarHBondContact O-OG1 3.09Å |
| 56 | L | 52.4 | Low | 53.5 | Low | 161 Ų | 161 | 118.7 Ų | 118.7 | 84% | 0.843 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 6.1 | 177.9 | -66.9 | 174.8 | 0 | 0 | 0 | 113.8 | ||
| 57 | G | 52.8 | Low | 52.2 | Low | 48 Ų | 48 | 120.6 Ų | 120.6 | 50% | 0.495 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -95.5 | 0.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 58 | F | 43.5 | Very low | 50.7 | Low | 176 Ų | 176 | 120.9 Ų | 120.9 | 77% | 0.772 | 70% | 0.701 | S | S | * | * | trans | -131.6 | 101.4 | -172.8 | -75.3 | -78.9 | 0 | 0 | 0 | 114 | H60 | F58-H60 PolarHBondContact O-N 3.07Š| ||
| 59 | P | 45.7 | Very low | 49.2 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | trans | -71.2 | 113.9 | 159.9 | 28.7 | -30.6 | 0 | 0 | 0 | 109.5 | C61 | P59-C61 PolarHBondContact O-N 3.14Š| ||
| 60 | H | 44.6 | Very low | 47.8 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | trans | -66.4 | 111 | 176.3 | -75 | -95.6 | 0 | 0 | 0 | 111.5 | F58 | F58-H60 PolarHBondContact O-N 3.07Š| ||
| 61 | C | 38.7 | Very low | 47 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -126.4 | 93.2 | 165 | -89.4 | 0 | 0 | 0 | 0 | 110.1 | P59 R63 | P59-C61 PolarHBondContact O-N 3.14Å; C61-R63 PolarHBondContact O-N 2.03Å | ||
| 62 | T | 48.1 | Very low | 46.2 | Very low | 141 Ų | 141 | 129 Ų | 129 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | trans | -67.1 | 119.6 | 175 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 63 | R | 35.2 | Very low | 46.1 | Very low | 249 Ų | 249 | 134.3 Ų | 134.3 | 94% | 0.94 | 78% | 0.775 | S | S | * | * | trans | -120.1 | 110.3 | 166.5 | -160.3 | 173.5 | -176.5 | 104.1 | -4.8 | 108.5 | C61 | C61-R63 PolarHBondContact O-N 2.03Š| ||
| 64 | G | 41.4 | Very low | 46 | Very low | 59 Ų | 59 | 137.6 Ų | 137.6 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | trans | -68.3 | 163.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K66 | G64-K66 PolarHBondContact O-N 3.5Š| ||
| 65 | P | 44.3 | Very low | 46.5 | Very low | 137 Ų | 137 | 140 Ų | 140 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -72.3 | 119.7 | -176.4 | 29.8 | -33.9 | 0 | 0 | 0 | 111 | ||||
| 66 | K | 38.5 | Very low | 46.8 | Very low | 208 Ų | 208 | 143.5 Ų | 143.5 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -90.3 | 106.8 | 160.6 | -81.4 | -170.6 | 174.3 | -175 | 0 | 108.8 | G64 S68 | G64-K66 PolarHBondContact O-N 3.5Å; K66-S68 PolarHBondContact O-N 3.07Å | ||
| 67 | A | 45.5 | Very low | 47.6 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | trans | -64.9 | 126.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 68 | S | 41.5 | Very low | 48.7 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -119.9 | 122.1 | 156.6 | 59.1 | 0 | 0 | 0 | 0 | 108.4 | K66 | K66-S68 PolarHBondContact O-N 3.07Š| ||
| 69 | K | 41 | Very low | 49.8 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | -54.2 | 142 | 170.3 | -58.5 | 171.8 | 178.3 | 179.5 | 0 | 109.2 | ||||
| 70 | H | 38.2 | Very low | 50.9 | Low | 187 Ų | 187 | 139.1 Ų | 139.1 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | -166.4 | 116.8 | 112.2 | -94.3 | -67.8 | 0 | 0 | 0 | 108.5 | G72 | H70-G72 PolarHBondContact O-N 3.37Š| |||
| 71 | A | 48.8 | Very low | 52 | Low | 111 Ų | 111 | 135.6 Ų | 135.6 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | trans | -77.9 | 100.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 72 | G | 43.8 | Very low | 53.3 | Low | 53 Ų | 53 | 130.8 Ų | 130.8 | 55% | 0.546 | 71% | 0.713 | S | S | . | * | trans | -94.2 | 133 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | H70 E74 | H70-G72 PolarHBondContact O-N 3.37Å; G72-E74 PolarHBondContact O-N 3.43Å | ||
| 73 | E | 55.8 | Low | 54 | Low | 183 Ų | 183 | 128.3 Ų | 128.3 | 86% | 0.855 | 70% | 0.695 | S | S | * | * | trans | -77.6 | 76.5 | 178.7 | -170.1 | 176.4 | -172.2 | 0 | 0 | 109.9 | V75 | E73-V75 HydrophobicContact CG-CG2 4.32Å; E73-V75 PolarHBondContact O-N 2.79Å | ||
| 74 | E | 55.2 | Low | 55.4 | Low | 170 Ų | 170 | 123.5 Ų | 123.5 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | trans | -89.1 | 92.3 | 177.9 | -58.8 | -156.2 | -129 | 0 | 0 | 109.3 | G72 F76 | G72-E74 PolarHBondContact O-N 3.43Å; E74-F76 PolarHBondContact O-N 3.42Å | ||
| 75 | V | 63.8 | Low | 56.3 | Low | 115 Ų | 115 | 127.8 Ų | 127.8 | 70% | 0.697 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -60.7 | -4.9 | -178.4 | 178.6 | 0 | 0 | 0 | 0 | 113.3 | E73 | E73-V75 HydrophobicContact CG-CG2 4.32Å; E73-V75 PolarHBondContact O-N 2.79Å |
| 76 | F | 63.5 | Low | 56.9 | Low | 180 Ų | 180 | 127.3 Ų | 127.3 | 79% | 0.789 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -125.1 | 119.4 | 173.3 | -63.3 | -81.1 | 0 | 0 | 0 | 110.4 | E74 | E74-F76 PolarHBondContact O-N 3.42Š|
| 77 | T | 70.3 | Confident | 57.5 | Low | 76 Ų | 76 | 126.5 Ų | 126.5 | 47% | 0.466 | 66% | 0.663 | S | S | . | * | trans | -59.3 | 149.6 | 170.9 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 78 | S | 74.4 | Confident | 57.8 | Low | 57 Ų | 57 | 132.4 Ų | 132.4 | 40% | 0.399 | 66% | 0.663 | S | S | . | * | trans | -53 | 153.6 | 173.9 | 68.1 | 0 | 0 | 0 | 0 | 112 | E80 E81 A82 | S78-E80 PolarHBondContact O-N 2.7Å; S78-E81 PolarHBondContact O-N 2.6Å; S78-E81 VanDerWaalsContact O-N 3.14Å; S78-E81 WeakPolarHBondContact OG-CB 3.45Å; S78-E81 PolarHBondContact OG-N 2.87Å; S78-A82 WeakPolarHBondContact O-CB 3.29Å; S78-A82 PolarHBondContact O-N 3.48Å | ||
| 79 | K | 67.1 | Low | 58.1 | Low | 153 Ų | 153 | 137.8 Ų | 137.8 | 67% | 0.665 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -58.4 | -35 | -178.3 | 176.7 | -173.4 | 176 | -171.6 | 0 | 111.8 | N83 | K79-N83 VanDerWaalsContact O-CB 3.27Å; K79-N83 WeakPolarHBondContact O-CB 3.41Å; K79-N83 PolarHBondContact O-N 2.95Å |
| 80 | E | 70.1 | Confident | 58.6 | Low | 130 Ų | 130 | 135 Ų | 135 | 61% | 0.607 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.1 | -39 | -178.6 | -66.3 | 59.8 | -131.7 | 0 | 0 | 110.9 | S78 F84 | S78-E80 PolarHBondContact O-N 2.7Å; E80-F84 PolarHBondContact O-N 2.7Å |
| 81 | E | 65.9 | Low | 59.2 | Low | 104 Ų | 104 | 133.4 Ų | 133.4 | 49% | 0.486 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -77.3 | -41.1 | 176.9 | -171.1 | 161.5 | -154.4 | 0 | 0 | 111.8 | S78 N83 F84 F85 | S78-E81 PolarHBondContact O-N 2.6Å; S78-E81 VanDerWaalsContact O-N 3.14Å; S78-E81 WeakPolarHBondContact OG-CB 3.45Å; S78-E81 PolarHBondContact OG-N 2.87Å; E81-N83 VanDerWaalsContact C-N 3.28Å; E81-N83 PolarHBondContact O-N 3.06Å; E81-F84 WeakPolarHBondContact O-CA 3.01Å; E81-F84 VanDerWaalsContact O-CB 3.24Å; E81-F84 WeakPolarHBondContact O-CB 3.46Å; E81-F84 PolarHBondContact O-N 2.81Å; E81-F85 HydrophobicContact CG-CE2 4.06Å; E81-F85 VanDerWaalsContact O-CD2 3.22Å; E81-F85 WeakPolarHBondContact O-CD2 3.49Å; E81-F85 PolarHBondContact O-N 2.81Å |
| 82 | A | 66.1 | Low | 58.9 | Low | 23 Ų | 23 | 137.8 Ų | 137.8 | 19% | 0.19 | 65% | 0.651 | C | S | . | * | H | α-helix | trans | -58.3 | -39.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S78 F84 F85 I86 | S78-A82 WeakPolarHBondContact O-CB 3.29Å; S78-A82 PolarHBondContact O-N 3.48Å; A82-F84 PolarHBondContact O-N 2.71Å; A82-F85 PolarHBondContact O-N 3.4Å; A82-I86 WeakPolarHBondContact O-CB 3.29Å; A82-I86 VanDerWaalsContact O-CG1 3.28Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 2.82Å |
| 83 | N | 64.4 | Low | 59.1 | Low | 90 Ų | 90 | 138.5 Ų | 138.5 | 48% | 0.481 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.6 | -20.2 | 172.7 | -93.2 | -23.4 | 0 | 0 | 0 | 113.7 | K79 E81 R87 | K79-N83 VanDerWaalsContact O-CB 3.27Å; K79-N83 WeakPolarHBondContact O-CB 3.41Å; K79-N83 PolarHBondContact O-N 2.95Å; E81-N83 VanDerWaalsContact C-N 3.28Å; E81-N83 PolarHBondContact O-N 3.06Å; N83-R87 WeakPolarHBondContact O-CG 3.49Å |
| 84 | F | 64 | Low | 58.9 | Low | 148 Ų | 148 | 139 Ų | 139 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.4 | -43.7 | 170.2 | -169.9 | -96.6 | 0 | 0 | 0 | 110.5 | E80 E81 A82 R87 | E80-F84 PolarHBondContact O-N 2.7Å; E81-F84 WeakPolarHBondContact O-CA 3.01Å; E81-F84 VanDerWaalsContact O-CB 3.24Å; E81-F84 WeakPolarHBondContact O-CB 3.46Å; E81-F84 PolarHBondContact O-N 2.81Å; A82-F84 PolarHBondContact O-N 2.71Å; F84-R87 PolarHBondContact O-N 2.79Å |
| 85 | F | 60.4 | Low | 58.8 | Low | 148 Ų | 148 | 140.7 Ų | 140.7 | 65% | 0.649 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.1 | -33.9 | 174.1 | -69.1 | -73.3 | 0 | 0 | 0 | 113.8 | E81 A82 R87 | E81-F85 HydrophobicContact CG-CE2 4.06Å; E81-F85 VanDerWaalsContact O-CD2 3.22Å; E81-F85 WeakPolarHBondContact O-CD2 3.49Å; E81-F85 PolarHBondContact O-N 2.81Å; A82-F85 PolarHBondContact O-N 3.4Å; F85-R87 PolarHBondContact O-N 3.49Å |
| 86 | I | 57.2 | Low | 58.4 | Low | 127 Ų | 127 | 137.8 Ų | 137.8 | 65% | 0.651 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 7 | 178.6 | -61.7 | 165.8 | 0 | 0 | 0 | 112 | A82 R88 | A82-I86 WeakPolarHBondContact O-CB 3.29Å; A82-I86 VanDerWaalsContact O-CG1 3.28Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 2.82Å; I86-R88 PolarHBondContact O-N 3.33Å |
| 87 | R | 51.1 | Low | 58.2 | Low | 191 Ų | 191 | 134.6 Ų | 134.6 | 72% | 0.721 | 61% | 0.612 | S | S | * | * | trans | -70 | 86.5 | 158.5 | -61.6 | -164.3 | -171.4 | -157.8 | 4 | 109 | N83 F84 F85 R89 | N83-R87 WeakPolarHBondContact O-CG 3.49Å; F84-R87 PolarHBondContact O-N 2.79Å; F85-R87 PolarHBondContact O-N 3.49Å; R87-R89 VanDerWaalsContact C-N 3.33Å; R87-R89 PolarHBondContact O-N 3.46Å | ||
| 88 | R | 52.2 | Low | 57.7 | Low | 231 Ų | 231 | 136.7 Ų | 136.7 | 87% | 0.872 | 62% | 0.617 | S | S | * | * | trans | -50.5 | 107.5 | 151.9 | -84.7 | -169.9 | 179.5 | -175 | -0.8 | 106 | I86 L90 | I86-R88 PolarHBondContact O-N 3.33Å; R88-L90 VanDerWaalsContact C-N 3.33Å; R88-L90 PolarHBondContact O-N 2.87Å | ||
| 89 | R | 47.1 | Very low | 57.2 | Low | 225 Ų | 225 | 141.3 Ų | 141.3 | 85% | 0.849 | 64% | 0.636 | S | S | * | * | trans | -65.3 | 102.4 | 167.4 | -164.8 | -178.2 | -164.3 | -168.8 | 4.2 | 104.2 | R87 L91 | R87-R89 VanDerWaalsContact C-N 3.33Å; R87-R89 PolarHBondContact O-N 3.46Å; R89-L91 WeakPolarHBondContact O-CD1 3.34Å; R89-L91 PolarHBondContact O-N 3.08Å | ||
| 90 | L | 50.8 | Low | 56.9 | Low | 133 Ų | 133 | 141.7 Ų | 141.7 | 70% | 0.696 | 64% | 0.638 | S | S | * | * | trans | -59.9 | 112.2 | 171.3 | -72.2 | 166.8 | 0 | 0 | 0 | 106.2 | R88 Y92 | R88-L90 VanDerWaalsContact C-N 3.33Å; R88-L90 PolarHBondContact O-N 2.87Å; L90-Y92 VanDerWaalsContact C-N 3.27Å; L90-Y92 PolarHBondContact O-N 3.3Å | ||
| 91 | L | 52 | Low | 56.8 | Low | 153 Ų | 153 | 138.9 Ų | 138.9 | 80% | 0.801 | 63% | 0.63 | S | S | * | * | trans | -73.9 | 90.5 | 174 | -89.3 | 76.8 | 0 | 0 | 0 | 106.9 | R89 N93 | R89-L91 WeakPolarHBondContact O-CD1 3.34Å; R89-L91 PolarHBondContact O-N 3.08Å; L91-N93 PolarHBondContact O-N 2.98Å | ||
| 92 | Y | 42.2 | Very low | 57.3 | Low | 203 Ų | 203 | 139 Ų | 139 | 80% | 0.796 | 64% | 0.64 | S | S | * | * | trans | 53.3 | 43.2 | 157.7 | -155.5 | -98.5 | 0 | 0 | 0 | 116.6 | L90 R94 | L90-Y92 VanDerWaalsContact C-N 3.27Å; L90-Y92 PolarHBondContact O-N 3.3Å; Y92-R94 PolarHBondContact O-N 2.73Å; Y92-R94 VanDerWaalsContact O-N 3.09Å | ||
| 93 | N | 47.1 | Very low | 57.8 | Low | 68 Ų | 68 | 139.7 Ų | 139.7 | 36% | 0.364 | 65% | 0.648 | S | S | . | * | trans | -56.7 | 116.8 | 166.6 | -64.4 | 80.2 | 0 | 0 | 0 | 110.2 | L91 F95 D96 E98 | L91-N93 PolarHBondContact O-N 2.98Å; N93-F95 VanDerWaalsContact C-N 3.26Å; N93-F95 PolarHBondContact O-N 3.22Å; N93-D96 WeakPolarHBondContact CA-OD2 3.43Å; N93-E98 PolarHBondContact ND2-OE1 2.72Å | ||
| 94 | R | 51.5 | Low | 58.8 | Low | 195 Ų | 195 | 139.2 Ų | 139.2 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | trans | -91.7 | 50.9 | -178.6 | -163.6 | -169.9 | 170.2 | -168.5 | -3.8 | 111.1 | Y92 D96 | Y92-R94 PolarHBondContact O-N 2.73Å; Y92-R94 VanDerWaalsContact O-N 3.09Å; R94-D96 PolarHBondContact N-OD2 3.37Å; R94-D96 PolarHBondContact O-N 2.7Å | ||
| 95 | F | 53.6 | Low | 59.9 | Low | 205 Ų | 205 | 133.4 Ų | 133.4 | 90% | 0.899 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 62.9 | 20.9 | -174.7 | -64.8 | -91.3 | 0 | 0 | 0 | 114.7 | N93 L97 | N93-F95 VanDerWaalsContact C-N 3.26Å; N93-F95 PolarHBondContact O-N 3.22Å; F95-L97 PolarHBondContact O-N 3.2Å |
| 96 | D | 55 | Low | 61 | Low | 54 Ų | 54 | 129.8 Ų | 129.8 | 29% | 0.289 | 61% | 0.608 | S | S | . | * | trans | -75.2 | 107 | 175.7 | -15.8 | -83.1 | 0 | 0 | 0 | 108.1 | N93 R94 E98 | N93-D96 WeakPolarHBondContact CA-OD2 3.43Å; R94-D96 PolarHBondContact N-OD2 3.37Å; R94-D96 PolarHBondContact O-N 2.7Å; D96-E98 VanDerWaalsContact C-N 3.25Å; D96-E98 PolarHBondContact O-N 3.01Å | ||
| 97 | L | 59.1 | Low | 62.3 | Low | 112 Ų | 112 | 126 Ų | 126 | 59% | 0.586 | 59% | 0.585 | S | S | * | * | trans | -79.8 | 81.1 | 170.6 | -63.1 | 175.1 | 0 | 0 | 0 | 108.6 | F95 L99 F100 T101 | F95-L97 PolarHBondContact O-N 3.2Å; L97-L99 PolarHBondContact O-N 2.8Å; L97-F100 HydrophobicContact CB-CD2 3.85Å; L97-F100 HydrophobicContact CD1-CD2 3.88Å; L97-F100 HydrophobicContact CD1-CE2 4.27Å; L97-F100 HydrophobicContact CG-CD2 4.45Å; L97-F100 PolarHBondContact O-N 2.88Å; L97-T101 PolarHBondContact O-N 3.19Å; L97-T101 VanDerWaalsContact O-N 3.15Å; L97-T101 PolarHBondContact O-OG1 2.8Å | ||
| 98 | E | 60.5 | Low | 63.9 | Low | 121 Ų | 121 | 118.3 Ų | 118.3 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.8 | -26.5 | 174.9 | -67.1 | 161.6 | -154 | 0 | 0 | 113.2 | N93 D96 F100 | N93-E98 PolarHBondContact ND2-OE1 2.72Å; D96-E98 VanDerWaalsContact C-N 3.25Å; D96-E98 PolarHBondContact O-N 3.01Å; E98-F100 VanDerWaalsContact C-N 3.35Å; E98-F100 PolarHBondContact O-N 3.32Å |
| 99 | L | 63.4 | Low | 65.5 | Low | 153 Ų | 153 | 107.4 Ų | 107.4 | 80% | 0.801 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -19.1 | 177.4 | -169.9 | 62 | 0 | 0 | 0 | 114.7 | L97 | L97-L99 PolarHBondContact O-N 2.8Š|
| 100 | F | 60.4 | Low | 67.2 | Low | 162 Ų | 162 | 99 Ų | 99 | 71% | 0.711 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | -16.4 | -177.1 | -61.3 | -65 | 0 | 0 | 0 | 113.9 | L97 E98 | L97-F100 HydrophobicContact CB-CD2 3.85Å; L97-F100 HydrophobicContact CD1-CD2 3.88Å; L97-F100 HydrophobicContact CD1-CE2 4.27Å; L97-F100 HydrophobicContact CG-CD2 4.45Å; L97-F100 PolarHBondContact O-N 2.88Å; E98-F100 VanDerWaalsContact C-N 3.35Å; E98-F100 PolarHBondContact O-N 3.32Å |
| 101 | T | 68.5 | Low | 68.6 | Low | 71 Ų | 71 | 99.5 Ų | 99.5 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -95.8 | 130 | 176 | -50.3 | 0 | 0 | 0 | 0 | 108.9 | L97 | L97-T101 PolarHBondContact O-N 3.19Å; L97-T101 VanDerWaalsContact O-N 3.15Å; L97-T101 PolarHBondContact O-OG1 2.8Å |
| 102 | P | 76.2 | Confident | 69.9 | Low | 107 Ų | 107 | 97.3 Ų | 97.3 | 70% | 0.695 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 145.1 | 172 | 27.4 | -34 | 0 | 0 | 0 | 110.7 | R107 | P102-R107 PolarHBondContact O-NH2 2.9Š|
| 103 | G | 77.6 | Confident | 71.7 | Confident | 36 Ų | 36 | 93.5 Ų | 93.5 | 37% | 0.371 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 140 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 104 | D | 84.6 | Confident | 73.6 | Confident | 81 Ų | 81 | 90.6 Ų | 90.6 | 43% | 0.433 | 45% | 0.45 | S | S | . | . | trans | -136.9 | 139.3 | 178.3 | 175.8 | 44.4 | 0 | 0 | 0 | 110.8 | E108 | D104-E108 WeakPolarHBondContact O-CB 3.19Å; D104-E108 PolarHBondContact O-N 2.9Å | ||
| 105 | V | 86.7 | Confident | 75.3 | Confident | 25 Ų | 25 | 84.7 Ų | 84.7 | 15% | 0.152 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.8 | -35.8 | -172.4 | -169.4 | 0 | 0 | 0 | 0 | 111.8 | C109 N110 I122 F123 F132 | V105-C109 HydrophobicContact CG1-CB 4.14Å; V105-C109 WeakPolarHBondContact O-CA 3.36Å; V105-C109 WeakPolarHBondContact O-CB 3.47Å; V105-C109 PolarHBondContact O-N 3Å; V105-C109 VanDerWaalsContact O-N 3.09Å; V105-N110 PolarHBondContact O-N 2.69Å; V105-N110 VanDerWaalsContact O-N 3.13Å; V105-I122 HydrophobicContact CG2-CB 4.5Å; V105-I122 HydrophobicContact CG2-CD1 4.5Å; V105-I122 HydrophobicContact CG2-CG2 3.5Å; V105-F123 HydrophobicContact CB-CZ 4.49Å; V105-F123 HydrophobicContact CG1-CE2 4.45Å; V105-F123 HydrophobicContact CG1-CZ 4.14Å; V105-F123 HydrophobicContact CG2-CE1 4.01Å; V105-F123 HydrophobicContact CG2-CE2 3.93Å; V105-F123 HydrophobicContact CG2-CZ 3.49Å; V105-F123 VanDerWaalsContact CG2-CZ 3.49Å; V105-F132 HydrophobicContact CG1-CD2 4.37Å; V105-F132 HydrophobicContact CG1-CE2 3.55Å; V105-F132 HydrophobicContact CG1-CZ 3.68Å |
| 106 | E | 84.3 | Confident | 77 | Confident | 73 Ų | 73 | 78.4 Ų | 78.4 | 34% | 0.341 | 40% | 0.404 | S | S | . | . | I | π-helix | trans | -67.7 | -51.1 | 179.5 | -167.6 | 69.2 | -167.7 | 0 | 0 | 109.7 | N110 E111 K144 | E106-N110 CarbonylContact O-C 3.32Å; E106-N110 WeakPolarHBondContact O-CA 3.35Å; E106-N110 WeakPolarHBondContact O-CB 3.25Å; E106-N110 PolarHBondContact O-N 2.92Å; E106-N110 VanDerWaalsContact O-N 3.14Å; E106-N110 PolarHBondContact OE2-ND2 2.68Å; E106-E111 HydrophobicContact CG-CG 4.49Å; E106-E111 WeakPolarHBondContact O-CG 3.12Å; E106-E111 PolarHBondContact O-N 3.47Å; E106-K144 IonicContact OE1-NZ 3.16Å; E106-K144 PolarHBondContact OE1-NZ 3.38Å |
| 107 | R | 83.8 | Confident | 78.5 | Confident | 46 Ų | 46 | 78.6 Ų | 78.6 | 17% | 0.174 | 40% | 0.404 | C | S | . | . | I | π-helix | trans | -62 | -55.8 | 178.3 | -177.1 | 176.3 | 53.7 | 72.4 | 4.7 | 112.8 | P102 E112 | P102-R107 PolarHBondContact O-NH2 2.9Å; R107-E112 WeakPolarHBondContact O-CB 3.22Å; R107-E112 PolarHBondContact O-N 3.3Å; R107-E112 VanDerWaalsContact O-N 3.09Å |
| 108 | E | 84.4 | Confident | 79.9 | Confident | 31 Ų | 31 | 76.8 Ų | 76.8 | 15% | 0.145 | 39% | 0.392 | C | S | . | . | I | π-helix | trans | -81.5 | -34.2 | -167.8 | -65.6 | 179 | 176.5 | 0 | 0 | 113.2 | D104 E112 C114 I122 | D104-E108 WeakPolarHBondContact O-CB 3.19Å; D104-E108 PolarHBondContact O-N 2.9Å; E108-E112 CarbonylContact O-C 3.5Å; E108-E112 WeakPolarHBondContact O-CB 3.24Å; E108-C114 HydrophobicContact CB-CB 4.44Å; E108-C114 VanDerWaalsContact O-CB 3.29Å; E108-C114 WeakPolarHBondContact O-CB 3.48Å; E108-C114 PolarHBondContact O-N 2.81Å; E108-C114 VanDerWaalsContact O-N 3.07Å; E108-I122 HydrophobicContact CB-CD1 4.26Å; E108-I122 WeakPolarHBondContact OE2-CD1 3.28Å |
| 109 | C | 86.3 | Confident | 81.2 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | I | π-helix | trans | -112.5 | -18.9 | -173.5 | -64 | 0 | 0 | 0 | 0 | 115.5 | V105 E112 C114 F132 Y136 | V105-C109 HydrophobicContact CG1-CB 4.14Å; V105-C109 WeakPolarHBondContact O-CA 3.36Å; V105-C109 WeakPolarHBondContact O-CB 3.47Å; V105-C109 PolarHBondContact O-N 3Å; V105-C109 VanDerWaalsContact O-N 3.09Å; C109-E112 CarbonylContact C-O 3.59Å; C109-E112 VanDerWaalsContact C-O 3.31Å; C109-C114 VanDerWaalsContact CA-SG 3.55Å; C109-C114 HydrophobicContact CB-CB 3.96Å; C109-C114 WeakPolarHBondContact CB-SG 3.42Å; C109-C114 WeakPolarHBondContact SG-CB 3.37Å; C109-C114 CovalentContact SG-SG 2.03Å; C109-C114 PolarHBondContact SG-SG 2.81Å; C109-F132 HydrophobicContact CB-CE1 4.06Å; C109-F132 HydrophobicContact CB-CZ 3.65Å; C109-Y136 HydrophobicContact CB-CE2 4.45Å; C109-Y136 VanDerWaalsContact O-CE2 3.24Å; C109-Y136 WeakPolarHBondContact O-CE2 3.16Å |
| 110 | N | 83 | Confident | 82.5 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 26% | 0.262 | 35% | 0.346 | S | S | . | . | I | π-helix | trans | -108.8 | -34.6 | -179.4 | -59.5 | -29.4 | 0 | 0 | 0 | 113 | V105 E106 | V105-N110 PolarHBondContact O-N 2.69Å; V105-N110 VanDerWaalsContact O-N 3.13Å; E106-N110 CarbonylContact O-C 3.32Å; E106-N110 WeakPolarHBondContact O-CA 3.35Å; E106-N110 WeakPolarHBondContact O-CB 3.25Å; E106-N110 PolarHBondContact O-N 2.92Å; E106-N110 VanDerWaalsContact O-N 3.14Å; E106-N110 PolarHBondContact OE2-ND2 2.68Å |
| 111 | E | 80.8 | Confident | 83.8 | Confident | 144 Ų | 144 | 67.5 Ų | 67.5 | 67% | 0.673 | 34% | 0.342 | S | S | * | . | I | π-helix | trans | -87.1 | -39.7 | 170.7 | -64.1 | -179.6 | 169.9 | 0 | 0 | 111.1 | E106 | E106-E111 HydrophobicContact CG-CG 4.49Å; E106-E111 WeakPolarHBondContact O-CG 3.12Å; E106-E111 PolarHBondContact O-N 3.47Å |
| 112 | E | 78.3 | Confident | 84.8 | Confident | 106 Ų | 106 | 65.7 Ų | 65.7 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -110.5 | 177.5 | 177.1 | -63.2 | 179.6 | -158.2 | 0 | 0 | 112.9 | R107 E108 C109 | R107-E112 WeakPolarHBondContact O-CB 3.22Å; R107-E112 PolarHBondContact O-N 3.3Å; R107-E112 VanDerWaalsContact O-N 3.09Å; E108-E112 CarbonylContact O-C 3.5Å; E108-E112 WeakPolarHBondContact O-CB 3.24Å; C109-E112 CarbonylContact C-O 3.59Å; C109-E112 VanDerWaalsContact C-O 3.31Å |
| 113 | L | 81.3 | Confident | 85.4 | Confident | 124 Ų | 124 | 63.5 Ų | 63.5 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | trans | -101.7 | 92.5 | 177.5 | 175.6 | 80.3 | 0 | 0 | 0 | 109.8 | Y136 P141 | L113-Y136 WeakPolarHBondContact CA-OH 3.13Å; L113-Y136 WeakPolarHBondContact CD1-OH 3.33Å; L113-P141 HydrophobicContact CD1-CB 3.67Å; L113-P141 HydrophobicContact CD1-CG 3.73Å | ||
| 114 | C | 86.3 | Confident | 85.9 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | trans | -76.4 | 157.7 | 174.7 | 73.5 | 0 | 0 | 0 | 0 | 114 | E108 C109 E118 Y136 | E108-C114 HydrophobicContact CB-CB 4.44Å; E108-C114 VanDerWaalsContact O-CB 3.29Å; E108-C114 WeakPolarHBondContact O-CB 3.48Å; E108-C114 PolarHBondContact O-N 2.81Å; E108-C114 VanDerWaalsContact O-N 3.07Å; C109-C114 VanDerWaalsContact CA-SG 3.55Å; C109-C114 HydrophobicContact CB-CB 3.96Å; C109-C114 WeakPolarHBondContact CB-SG 3.42Å; C109-C114 WeakPolarHBondContact SG-CB 3.37Å; C109-C114 CovalentContact SG-SG 2.03Å; C109-C114 PolarHBondContact SG-SG 2.81Å; C114-E118 VanDerWaalsContact CA-OE2 3.22Å; C114-E118 WeakPolarHBondContact CA-OE2 3.26Å; C114-E118 HydrophobicContact CB-CB 4.25Å; C114-Y136 PolarHBondContact N-OH 2.89Å; C114-Y136 WeakPolarHBondContact O-CE1 3.46Å; C114-Y136 PolarHBondContact O-OH 3.4Å; C114-Y136 VanDerWaalsContact O-OH 3.08Å | ||
| 115 | N | 87.6 | Confident | 86.2 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | trans | -99.7 | 169.8 | 171.1 | 96.7 | 68.4 | 0 | 0 | 0 | 111.7 | E117 E118 A119 W133 | N115-E117 PolarHBondContact O-N 2.85Å; N115-E117 WeakPolarHBondContact OD1-CA 3.36Å; N115-E117 VanDerWaalsContact OD1-CB 3.24Å; N115-E117 WeakPolarHBondContact OD1-CB 3.42Å; N115-E117 PolarHBondContact OD1-N 2.79Å; N115-E118 PolarHBondContact N-OE2 2.96Å; N115-E118 WeakPolarHBondContact ND2-CG 3.29Å; N115-E118 PolarHBondContact ND2-OE1 3.28Å; N115-E118 PolarHBondContact ND2-OE2 3.47Å; N115-E118 PolarHBondContact O-N 3.09Å; N115-A119 PolarHBondContact O-N 3.03Å; N115-W133 VanDerWaalsContact C-CZ3 3.49Å | ||
| 116 | Y | 88.3 | Confident | 86.4 | Confident | 72 Ų | 72 | 71.4 Ų | 71.4 | 28% | 0.282 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.9 | -35.3 | -176 | -178.5 | -106.6 | 0 | 0 | 0 | 114 | A119 R120 T129 W133 | Y116-A119 PolarHBondContact O-N 3.39Å; Y116-R120 WeakPolarHBondContact O-CB 3.38Å; Y116-R120 PolarHBondContact O-N 3.36Å; Y116-T129 HydrophobicContact CD2-CG2 4.23Å; Y116-T129 HydrophobicContact CE2-CG2 3.66Å; Y116-W133 HydrophobicContact CD2-CB 3.88Å; Y116-W133 AromaticContact CD2-CD1 3.76Å; Y116-W133 AromaticContact CD2-CD2 3.58Å; Y116-W133 HydrophobicContact CD2-CD2 3.58Å; Y116-W133 AromaticContact CD2-CE2 3.97Å; Y116-W133 HydrophobicContact CD2-CE3 4.05Å; Y116-W133 AromaticContact CD2-CG 3.47Å; Y116-W133 HydrophobicContact CD2-CG 3.47Å; Y116-W133 VanDerWaalsContact CD2-CG 3.47Å; Y116-W133 HydrophobicContact CE2-CB 3.96Å; Y116-W133 HydrophobicContact CE2-CD2 4.5Å; Y116-W133 AromaticContact CE2-CG 3.95Å; Y116-W133 HydrophobicContact CE2-CG 3.95Å; Y116-W133 HydrophobicContact CG-CD2 4.34Å |
| 117 | E | 87.5 | Confident | 86.8 | Confident | 59 Ų | 59 | 74.2 Ų | 74.2 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 177.3 | -171.1 | 64.6 | -146.1 | 0 | 0 | 110.9 | N115 R120 E121 | N115-E117 PolarHBondContact O-N 2.85Å; N115-E117 WeakPolarHBondContact OD1-CA 3.36Å; N115-E117 VanDerWaalsContact OD1-CB 3.24Å; N115-E117 WeakPolarHBondContact OD1-CB 3.42Å; N115-E117 PolarHBondContact OD1-N 2.79Å; E117-R120 WeakPolarHBondContact O-CB 3.28Å; E117-R120 PolarHBondContact O-N 2.92Å; E117-R120 VanDerWaalsContact O-N 3.14Å; E117-R120 IonicContact OE1-CZ 2.76Å; E117-R120 IonicContact OE1-NE 3.34Å; E117-R120 PolarHBondContact OE1-NE 2.91Å; E117-R120 IonicContact OE1-NH2 2.6Å; E117-R120 PolarHBondContact OE1-NH2 2.82Å; E117-R120 IonicContact OE2-CZ 2.72Å; E117-R120 VanDerWaalsContact OE2-CZ 3.24Å; E117-R120 IonicContact OE2-NE 3.24Å; E117-R120 IonicContact OE2-NH2 2.7Å; E117-R120 PolarHBondContact OE2-NH2 3.33Å; E117-E121 WeakPolarHBondContact O-CG 3.32Å; E117-E121 PolarHBondContact O-N 3.34Å |
| 118 | E | 87.7 | Confident | 87.1 | Confident | 74 Ų | 74 | 77.6 Ų | 77.6 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 174.3 | -72.9 | 150.9 | -162.5 | 0 | 0 | 110.7 | C114 N115 R120 E121 I122 | C114-E118 VanDerWaalsContact CA-OE2 3.22Å; C114-E118 WeakPolarHBondContact CA-OE2 3.26Å; C114-E118 HydrophobicContact CB-CB 4.25Å; N115-E118 PolarHBondContact N-OE2 2.96Å; N115-E118 WeakPolarHBondContact ND2-CG 3.29Å; N115-E118 PolarHBondContact ND2-OE1 3.28Å; N115-E118 PolarHBondContact ND2-OE2 3.47Å; N115-E118 PolarHBondContact O-N 3.09Å; E118-R120 PolarHBondContact O-N 2.98Å; E118-E121 PolarHBondContact O-N 3.17Å; E118-E121 VanDerWaalsContact O-N 3.1Å; E118-I122 WeakPolarHBondContact O-CG1 3.09Å; E118-I122 PolarHBondContact O-N 2.88Å |
| 119 | A | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.3 | -37.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N115 Y116 I122 F123 T129 F132 W133 | N115-A119 PolarHBondContact O-N 3.03Å; Y116-A119 PolarHBondContact O-N 3.39Å; A119-I122 PolarHBondContact O-N 2.9Å; A119-F123 VanDerWaalsContact O-CD2 3.25Å; A119-F123 WeakPolarHBondContact O-CD2 3.2Å; A119-F123 PolarHBondContact O-N 3.05Å; A119-T129 HydrophobicContact CB-CG2 4.29Å; A119-F132 HydrophobicContact CB-CD1 4.22Å; A119-F132 HydrophobicContact CB-CE1 4.33Å; A119-W133 HydrophobicContact CB-CE3 4.46Å |
| 120 | R | 90.8 | Very high | 87.7 | Confident | 104 Ų | 104 | 79.1 Ų | 79.1 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68 | -39.7 | 175.7 | -171.8 | 175 | 71.1 | 178.3 | 0.4 | 112.5 | Y116 E117 E118 I122 V124 T129 | Y116-R120 WeakPolarHBondContact O-CB 3.38Å; Y116-R120 PolarHBondContact O-N 3.36Å; E117-R120 WeakPolarHBondContact O-CB 3.28Å; E117-R120 PolarHBondContact O-N 2.92Å; E117-R120 VanDerWaalsContact O-N 3.14Å; E117-R120 IonicContact OE1-CZ 2.76Å; E117-R120 IonicContact OE1-NE 3.34Å; E117-R120 PolarHBondContact OE1-NE 2.91Å; E117-R120 IonicContact OE1-NH2 2.6Å; E117-R120 PolarHBondContact OE1-NH2 2.82Å; E117-R120 IonicContact OE2-CZ 2.72Å; E117-R120 VanDerWaalsContact OE2-CZ 3.24Å; E117-R120 IonicContact OE2-NE 3.24Å; E117-R120 IonicContact OE2-NH2 2.7Å; E117-R120 PolarHBondContact OE2-NH2 3.33Å; E118-R120 PolarHBondContact O-N 2.98Å; R120-I122 VanDerWaalsContact C-N 3.31Å; R120-I122 PolarHBondContact O-N 2.94Å; R120-V124 WeakPolarHBondContact O-CA 3.45Å; R120-V124 PolarHBondContact O-N 2.89Å; R120-T129 HydrophobicContact CB-CG2 3.95Å |
| 121 | E | 88.4 | Confident | 88.1 | Confident | 136 Ų | 136 | 79.8 Ų | 79.8 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64 | -35.8 | 176 | -72.9 | -176.1 | -177.9 | 0 | 0 | 111.7 | E117 E118 | E117-E121 WeakPolarHBondContact O-CG 3.32Å; E117-E121 PolarHBondContact O-N 3.34Å; E118-E121 PolarHBondContact O-N 3.17Å; E118-E121 VanDerWaalsContact O-N 3.1Å |
| 122 | I | 88.6 | Confident | 88.5 | Confident | 34 Ų | 34 | 74.7 Ų | 74.7 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71.9 | -50.9 | 176.2 | -57 | 157.7 | 0 | 0 | 0 | 112.1 | V105 E108 E118 A119 R120 | V105-I122 HydrophobicContact CG2-CB 4.5Å; V105-I122 HydrophobicContact CG2-CD1 4.5Å; V105-I122 HydrophobicContact CG2-CG2 3.5Å; E108-I122 HydrophobicContact CB-CD1 4.26Å; E108-I122 WeakPolarHBondContact OE2-CD1 3.28Å; E118-I122 WeakPolarHBondContact O-CG1 3.09Å; E118-I122 PolarHBondContact O-N 2.88Å; A119-I122 PolarHBondContact O-N 2.9Å; R120-I122 VanDerWaalsContact C-N 3.31Å; R120-I122 PolarHBondContact O-N 2.94Å |
| 123 | F | 89 | Confident | 89.1 | Confident | 60 Ų | 60 | 73.2 Ų | 73.2 | 26% | 0.263 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -81.6 | -27.5 | -172.5 | -74.6 | -67.9 | 0 | 0 | 0 | 113.8 | V105 A119 D125 K128 F132 | V105-F123 HydrophobicContact CB-CZ 4.49Å; V105-F123 HydrophobicContact CG1-CE2 4.45Å; V105-F123 HydrophobicContact CG1-CZ 4.14Å; V105-F123 HydrophobicContact CG2-CE1 4.01Å; V105-F123 HydrophobicContact CG2-CE2 3.93Å; V105-F123 HydrophobicContact CG2-CZ 3.49Å; V105-F123 VanDerWaalsContact CG2-CZ 3.49Å; A119-F123 VanDerWaalsContact O-CD2 3.25Å; A119-F123 WeakPolarHBondContact O-CD2 3.2Å; A119-F123 PolarHBondContact O-N 3.05Å; F123-D125 PolarHBondContact O-N 3.45Å; F123-K128 HydrophobicContact CB-CB 4.35Å; F123-K128 HydrophobicContact CD1-CB 4.31Å; F123-K128 HydrophobicContact CG-CB 4.45Å; F123-F132 HydrophobicContact CD2-CB 4.31Å; F123-F132 HydrophobicContact CD2-CD1 4.47Å; F123-F132 HydrophobicContact CD2-CG 4.37Å; F123-F132 HydrophobicContact CE2-CB 3.68Å; F123-F132 AromaticContact CE2-CD1 3.67Å; F123-F132 HydrophobicContact CE2-CD1 3.67Å; F123-F132 AromaticContact CE2-CD2 3.81Å; F123-F132 HydrophobicContact CE2-CD2 3.81Å; F123-F132 HydrophobicContact CE2-CE1 4.27Å; F123-F132 HydrophobicContact CE2-CE2 4.39Å; F123-F132 AromaticContact CE2-CG 3.41Å; F123-F132 HydrophobicContact CE2-CG 3.41Å; F123-F132 VanDerWaalsContact CE2-CG 3.41Å; F123-F132 HydrophobicContact CZ-CB 4.07Å; F123-F132 HydrophobicContact CZ-CD1 4.48Å; F123-F132 AromaticContact CZ-CD2 3.79Å; F123-F132 HydrophobicContact CZ-CD2 3.79Å; F123-F132 HydrophobicContact CZ-CE2 4.39Å; F123-F132 AromaticContact CZ-CG 3.85Å; F123-F132 HydrophobicContact CZ-CG 3.85Å |
| 124 | V | 87.3 | Confident | 89.5 | Confident | 125 Ų | 125 | 73.7 Ų | 73.7 | 76% | 0.758 | 36% | 0.361 | S | S | * | . | trans | 61.3 | -30.9 | -175.7 | -173.6 | 0 | 0 | 0 | 0 | 115 | R120 | R120-V124 WeakPolarHBondContact O-CA 3.45Å; R120-V124 PolarHBondContact O-N 2.89Å | ||
| 125 | D | 91.8 | Very high | 89.5 | Confident | 56 Ų | 56 | 80.1 Ų | 80.1 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | trans | -90.6 | 122.6 | 179.7 | -178.8 | -34.3 | 0 | 0 | 0 | 110.2 | F123 D127 K128 T129 | F123-D125 PolarHBondContact O-N 3.45Å; D125-D127 PolarHBondContact OD1-N 3.36Å; D125-D127 VanDerWaalsContact OD1-N 3.13Å; D125-K128 HydrophobicContact CB-CB 4.15Å; D125-K128 HydrophobicContact CB-CD 4Å; D125-K128 HydrophobicContact CB-CG 4.09Å; D125-K128 PolarHBondContact O-N 3.4Å; D125-K128 PolarHBondContact OD1-N 2.82Å; D125-K128 WeakPolarHBondContact OD2-CE 3.5Å; D125-K128 IonicContact OD2-NZ 2.68Å; D125-K128 PolarHBondContact OD2-NZ 2.89Å; D125-T129 WeakPolarHBondContact O-CB 3.34Å; D125-T129 PolarHBondContact O-N 2.89Å; D125-T129 PolarHBondContact O-OG1 2.98Å | ||
| 126 | E | 90.6 | Very high | 89.4 | Confident | 128 Ų | 128 | 77.7 Ų | 77.7 | 60% | 0.598 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.3 | -40.5 | -174 | -173.1 | 161.8 | -153.5 | 0 | 0 | 112.5 | K128 T129 I130 | E126-K128 VanDerWaalsContact C-N 3.35Å; E126-K128 PolarHBondContact O-N 3.39Å; E126-T129 PolarHBondContact O-N 3.04Å; E126-I130 HydrophobicContact CG-CD1 3.87Å; E126-I130 VanDerWaalsContact O-CG1 3.29Å; E126-I130 WeakPolarHBondContact O-CG1 3.29Å; E126-I130 PolarHBondContact O-N 2.96Å |
| 127 | D | 91.7 | Very high | 89.2 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 71% | 0.706 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.8 | -41.3 | 179.6 | -71.5 | -31.7 | 0 | 0 | 0 | 111 | D125 A131 | D125-D127 PolarHBondContact OD1-N 3.36Å; D125-D127 VanDerWaalsContact OD1-N 3.13Å; D127-A131 WeakPolarHBondContact O-CB 3.33Å; D127-A131 PolarHBondContact O-N 2.88Å |
| 128 | K | 90.3 | Very high | 88.8 | Confident | 117 Ų | 117 | 79 Ų | 79 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.8 | -42 | 175.2 | -65 | -175.4 | -172.3 | 116.3 | 0 | 111.8 | F123 D125 E126 A131 F132 | F123-K128 HydrophobicContact CB-CB 4.35Å; F123-K128 HydrophobicContact CD1-CB 4.31Å; F123-K128 HydrophobicContact CG-CB 4.45Å; D125-K128 HydrophobicContact CB-CB 4.15Å; D125-K128 HydrophobicContact CB-CD 4Å; D125-K128 HydrophobicContact CB-CG 4.09Å; D125-K128 PolarHBondContact O-N 3.4Å; D125-K128 PolarHBondContact OD1-N 2.82Å; D125-K128 WeakPolarHBondContact OD2-CE 3.5Å; D125-K128 IonicContact OD2-NZ 2.68Å; D125-K128 PolarHBondContact OD2-NZ 2.89Å; E126-K128 VanDerWaalsContact C-N 3.35Å; E126-K128 PolarHBondContact O-N 3.39Å; K128-A131 PolarHBondContact O-N 2.84Å; K128-F132 WeakPolarHBondContact O-CB 3.41Å; K128-F132 PolarHBondContact O-N 2.95Å |
| 129 | T | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.2 | -46 | 178 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | Y116 A119 R120 D125 E126 F132 W133 | Y116-T129 HydrophobicContact CD2-CG2 4.23Å; Y116-T129 HydrophobicContact CE2-CG2 3.66Å; A119-T129 HydrophobicContact CB-CG2 4.29Å; R120-T129 HydrophobicContact CB-CG2 3.95Å; D125-T129 WeakPolarHBondContact O-CB 3.34Å; D125-T129 PolarHBondContact O-N 2.89Å; D125-T129 PolarHBondContact O-OG1 2.98Å; E126-T129 PolarHBondContact O-N 3.04Å; T129-F132 PolarHBondContact O-N 3.5Å; T129-W133 WeakPolarHBondContact O-CB 3.31Å; T129-W133 PolarHBondContact O-N 3.28Å |
| 130 | I | 91.1 | Very high | 86.8 | Confident | 64 Ų | 64 | 83.7 Ų | 83.7 | 33% | 0.328 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 178.1 | -67.8 | 165.7 | 0 | 0 | 0 | 110.9 | E126 F132 W133 Q134 | E126-I130 HydrophobicContact CG-CD1 3.87Å; E126-I130 VanDerWaalsContact O-CG1 3.29Å; E126-I130 WeakPolarHBondContact O-CG1 3.29Å; E126-I130 PolarHBondContact O-N 2.96Å; I130-F132 VanDerWaalsContact C-N 3.33Å; I130-F132 PolarHBondContact O-N 2.94Å; I130-W133 PolarHBondContact O-N 3.05Å; I130-Q134 HydrophobicContact CG2-CG 4.4Å; I130-Q134 WeakPolarHBondContact O-CG 3.25Å; I130-Q134 PolarHBondContact O-N 3.31Å |
| 131 | A | 91.4 | Very high | 85.2 | Confident | 62 Ų | 62 | 82.1 Ų | 82.1 | 51% | 0.512 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D127 K128 | D127-A131 WeakPolarHBondContact O-CB 3.33Å; D127-A131 PolarHBondContact O-N 2.88Å; K128-A131 PolarHBondContact O-N 2.84Å |
| 132 | F | 90.4 | Very high | 83.7 | Confident | 37 Ų | 37 | 78.6 Ų | 78.6 | 16% | 0.162 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.8 | -50.8 | 171.9 | 176.9 | -97.1 | 0 | 0 | 0 | 111.4 | V105 C109 A119 F123 K128 T129 I130 Q134 K135 Y136 | V105-F132 HydrophobicContact CG1-CD2 4.37Å; V105-F132 HydrophobicContact CG1-CE2 3.55Å; V105-F132 HydrophobicContact CG1-CZ 3.68Å; C109-F132 HydrophobicContact CB-CE1 4.06Å; C109-F132 HydrophobicContact CB-CZ 3.65Å; A119-F132 HydrophobicContact CB-CD1 4.22Å; A119-F132 HydrophobicContact CB-CE1 4.33Å; F123-F132 HydrophobicContact CD2-CB 4.31Å; F123-F132 HydrophobicContact CD2-CD1 4.47Å; F123-F132 HydrophobicContact CD2-CG 4.37Å; F123-F132 HydrophobicContact CE2-CB 3.68Å; F123-F132 AromaticContact CE2-CD1 3.67Å; F123-F132 HydrophobicContact CE2-CD1 3.67Å; F123-F132 AromaticContact CE2-CD2 3.81Å; F123-F132 HydrophobicContact CE2-CD2 3.81Å; F123-F132 HydrophobicContact CE2-CE1 4.27Å; F123-F132 HydrophobicContact CE2-CE2 4.39Å; F123-F132 AromaticContact CE2-CG 3.41Å; F123-F132 HydrophobicContact CE2-CG 3.41Å; F123-F132 VanDerWaalsContact CE2-CG 3.41Å; F123-F132 HydrophobicContact CZ-CB 4.07Å; F123-F132 HydrophobicContact CZ-CD1 4.48Å; F123-F132 AromaticContact CZ-CD2 3.79Å; F123-F132 HydrophobicContact CZ-CD2 3.79Å; F123-F132 HydrophobicContact CZ-CE2 4.39Å; F123-F132 AromaticContact CZ-CG 3.85Å; F123-F132 HydrophobicContact CZ-CG 3.85Å; K128-F132 WeakPolarHBondContact O-CB 3.41Å; K128-F132 PolarHBondContact O-N 2.95Å; T129-F132 PolarHBondContact O-N 3.5Å; I130-F132 VanDerWaalsContact C-N 3.33Å; I130-F132 PolarHBondContact O-N 2.94Å; F132-Q134 PolarHBondContact O-N 3.46Å; F132-K135 WeakPolarHBondContact O-CB 3.43Å; F132-K135 PolarHBondContact O-N 3.43Å; F132-Y136 HydrophobicContact CE1-CG 4.15Å; F132-Y136 HydrophobicContact CZ-CD2 4.33Å; F132-Y136 HydrophobicContact CZ-CG 4.37Å; F132-Y136 WeakPolarHBondContact O-CB 3.43Å; F132-Y136 PolarHBondContact O-N 3.43Å |
| 133 | W | 90.6 | Very high | 81.8 | Confident | 75 Ų | 75 | 82.5 Ų | 82.5 | 28% | 0.284 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | -174.8 | -172.5 | -107.9 | 0 | 0 | 0 | 113.1 | N115 Y116 A119 T129 I130 K135 Y136 S137 | N115-W133 VanDerWaalsContact C-CZ3 3.49Å; Y116-W133 HydrophobicContact CD2-CB 3.88Å; Y116-W133 AromaticContact CD2-CD1 3.76Å; Y116-W133 AromaticContact CD2-CD2 3.58Å; Y116-W133 HydrophobicContact CD2-CD2 3.58Å; Y116-W133 AromaticContact CD2-CE2 3.97Å; Y116-W133 HydrophobicContact CD2-CE3 4.05Å; Y116-W133 AromaticContact CD2-CG 3.47Å; Y116-W133 HydrophobicContact CD2-CG 3.47Å; Y116-W133 VanDerWaalsContact CD2-CG 3.47Å; Y116-W133 HydrophobicContact CE2-CB 3.96Å; Y116-W133 HydrophobicContact CE2-CD2 4.5Å; Y116-W133 AromaticContact CE2-CG 3.95Å; Y116-W133 HydrophobicContact CE2-CG 3.95Å; Y116-W133 HydrophobicContact CG-CD2 4.34Å; A119-W133 HydrophobicContact CB-CE3 4.46Å; T129-W133 WeakPolarHBondContact O-CB 3.31Å; T129-W133 PolarHBondContact O-N 3.28Å; I130-W133 PolarHBondContact O-N 3.05Å; W133-K135 VanDerWaalsContact C-N 3.31Å; W133-K135 PolarHBondContact O-N 2.96Å; W133-Y136 HydrophobicContact CD2-CD1 4.45Å; W133-Y136 AromaticContact CE3-CD1 3.65Å; W133-Y136 HydrophobicContact CE3-CD1 3.65Å; W133-Y136 HydrophobicContact CE3-CE1 4.16Å; W133-Y136 HydrophobicContact CH2-CD1 4.2Å; W133-Y136 HydrophobicContact CH2-CE1 4.07Å; W133-Y136 AromaticContact CZ3-CD1 3.51Å; W133-Y136 HydrophobicContact CZ3-CD1 3.51Å; W133-Y136 AromaticContact CZ3-CE1 3.53Å; W133-Y136 HydrophobicContact CZ3-CE1 3.53Å; W133-Y136 PolarHBondContact O-N 3.29Å; W133-S137 VanDerWaalsContact O-CB 3.28Å; W133-S137 WeakPolarHBondContact O-CB 3.38Å; W133-S137 PolarHBondContact O-N 3.49Å; W133-S137 PolarHBondContact O-OG 2.88Å |
| 134 | Q | 89.2 | Confident | 80.1 | Confident | 134 Ų | 134 | 86 Ų | 86 | 63% | 0.626 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.3 | -40.9 | 173 | -74.6 | -176.4 | -0.8 | 0 | 0 | 112 | I130 F132 S137 A138 | I130-Q134 HydrophobicContact CG2-CG 4.4Å; I130-Q134 WeakPolarHBondContact O-CG 3.25Å; I130-Q134 PolarHBondContact O-N 3.31Å; F132-Q134 PolarHBondContact O-N 3.46Å; Q134-S137 PolarHBondContact O-OG 3.41Å; Q134-A138 WeakPolarHBondContact O-CB 3.3Å; Q134-A138 PolarHBondContact O-N 2.91Å |
| 135 | K | 87.1 | Confident | 78.3 | Confident | 141 Ų | 141 | 83.6 Ų | 83.6 | 61% | 0.613 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -72.1 | -37 | 178.2 | -173.7 | -176.7 | 179.1 | -173.3 | 0 | 112.4 | F132 W133 K139 | F132-K135 WeakPolarHBondContact O-CB 3.43Å; F132-K135 PolarHBondContact O-N 3.43Å; W133-K135 VanDerWaalsContact C-N 3.31Å; W133-K135 PolarHBondContact O-N 2.96Å; K135-K139 WeakPolarHBondContact O-CG 3.34Å; K135-K139 PolarHBondContact O-N 2.88Å |
| 136 | Y | 85.4 | Confident | 76.4 | Confident | 21 Ų | 21 | 86.9 Ų | 86.9 | 8% | 0.082 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -73 | -53 | -180 | 175.9 | -110.3 | 0 | 0 | 0 | 111.6 | C109 L113 C114 F132 W133 A138 K139 G140 | C109-Y136 HydrophobicContact CB-CE2 4.45Å; C109-Y136 VanDerWaalsContact O-CE2 3.24Å; C109-Y136 WeakPolarHBondContact O-CE2 3.16Å; L113-Y136 WeakPolarHBondContact CA-OH 3.13Å; L113-Y136 WeakPolarHBondContact CD1-OH 3.33Å; C114-Y136 PolarHBondContact N-OH 2.89Å; C114-Y136 WeakPolarHBondContact O-CE1 3.46Å; C114-Y136 PolarHBondContact O-OH 3.4Å; C114-Y136 VanDerWaalsContact O-OH 3.08Å; F132-Y136 HydrophobicContact CE1-CG 4.15Å; F132-Y136 HydrophobicContact CZ-CD2 4.33Å; F132-Y136 HydrophobicContact CZ-CG 4.37Å; F132-Y136 WeakPolarHBondContact O-CB 3.43Å; F132-Y136 PolarHBondContact O-N 3.43Å; W133-Y136 HydrophobicContact CD2-CD1 4.45Å; W133-Y136 AromaticContact CE3-CD1 3.65Å; W133-Y136 HydrophobicContact CE3-CD1 3.65Å; W133-Y136 HydrophobicContact CE3-CE1 4.16Å; W133-Y136 HydrophobicContact CH2-CD1 4.2Å; W133-Y136 HydrophobicContact CH2-CE1 4.07Å; W133-Y136 AromaticContact CZ3-CD1 3.51Å; W133-Y136 HydrophobicContact CZ3-CD1 3.51Å; W133-Y136 AromaticContact CZ3-CE1 3.53Å; W133-Y136 HydrophobicContact CZ3-CE1 3.53Å; W133-Y136 PolarHBondContact O-N 3.29Å; Y136-A138 VanDerWaalsContact C-N 3.28Å; Y136-A138 PolarHBondContact O-N 3.32Å; Y136-K139 PolarHBondContact O-N 2.82Å; Y136-G140 PolarHBondContact O-N 3.46Å |
| 137 | S | 83.9 | Confident | 74.6 | Confident | 71 Ų | 71 | 85.1 Ų | 85.1 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -34.3 | 177.2 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | W133 Q134 | W133-S137 VanDerWaalsContact O-CB 3.28Å; W133-S137 WeakPolarHBondContact O-CB 3.38Å; W133-S137 PolarHBondContact O-N 3.49Å; W133-S137 PolarHBondContact O-OG 2.88Å; Q134-S137 PolarHBondContact O-OG 3.41Å |
| 138 | A | 78.5 | Confident | 72.6 | Confident | 87 Ų | 87 | 83.3 Ų | 83.3 | 72% | 0.719 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.4 | -23.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q134 Y136 | Q134-A138 WeakPolarHBondContact O-CB 3.3Å; Q134-A138 PolarHBondContact O-N 2.91Å; Y136-A138 VanDerWaalsContact C-N 3.28Å; Y136-A138 PolarHBondContact O-N 3.32Å |
| 139 | K | 72.2 | Confident | 70.9 | Confident | 148 Ų | 148 | 88.4 Ų | 88.4 | 64% | 0.643 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -95.3 | -20.6 | 176.7 | -76.1 | -170.7 | 171.3 | -161 | 0 | 113.7 | K135 Y136 T142 | K135-K139 WeakPolarHBondContact O-CG 3.34Å; K135-K139 PolarHBondContact O-N 2.88Å; Y136-K139 PolarHBondContact O-N 2.82Å; K139-T142 HydrophobicContact CB-CG2 3.97Å; K139-T142 HydrophobicContact CD-CG2 4.29Å |
| 140 | G | 62.3 | Low | 69.5 | Low | 25 Ų | 25 | 97.3 Ų | 97.3 | 26% | 0.258 | 53% | 0.534 | S | S | . | . | trans | 67.2 | -179.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y136 T142 | Y136-G140 PolarHBondContact O-N 3.46Å; G140-T142 PolarHBondContact O-N 2.88Å | ||
| 141 | P | 57 | Low | 67.9 | Low | 72 Ų | 72 | 101.5 Ų | 101.5 | 47% | 0.468 | 55% | 0.55 | S | S | . | * | trans | -59.5 | 104.6 | 169 | 26.7 | -35.2 | 0 | 0 | 0 | 108.6 | L113 T143 | L113-P141 HydrophobicContact CD1-CB 3.67Å; L113-P141 HydrophobicContact CD1-CG 3.73Å; P141-T143 PolarHBondContact O-N 3.35Å | ||
| 142 | T | 56.7 | Low | 66.6 | Low | 61 Ų | 61 | 105.4 Ų | 105.4 | 37% | 0.374 | 56% | 0.561 | S | S | . | * | trans | -74.9 | 76.8 | 171.5 | 58.1 | 0 | 0 | 0 | 0 | 108.1 | K139 G140 K144 | K139-T142 HydrophobicContact CB-CG2 3.97Å; K139-T142 HydrophobicContact CD-CG2 4.29Å; G140-T142 PolarHBondContact O-N 2.88Å; T142-K144 PolarHBondContact O-N 3.23Å | ||
| 143 | T | 50 | Low | 65.8 | Low | 117 Ų | 117 | 108.8 Ų | 108.8 | 72% | 0.718 | 58% | 0.581 | S | S | * | * | trans | -47.1 | 114.8 | 147.1 | 60.1 | 0 | 0 | 0 | 0 | 104.9 | P141 S145 | P141-T143 PolarHBondContact O-N 3.35Å; T143-S145 PolarHBondContact O-N 2.86Å | ||
| 144 | K | 51.7 | Low | 65.4 | Low | 134 Ų | 134 | 110.1 Ų | 110.1 | 58% | 0.583 | 60% | 0.597 | S | S | * | * | trans | -70.1 | 71.5 | 171.7 | -64.3 | 168.3 | -168.2 | 156.6 | 0 | 105.4 | E106 T142 D146 | E106-K144 IonicContact OE1-NZ 3.16Å; E106-K144 PolarHBondContact OE1-NZ 3.38Å; T142-K144 PolarHBondContact O-N 3.23Å; K144-D146 PolarHBondContact O-N 2.88Å | ||
| 145 | S | 51.3 | Low | 64.7 | Low | 74 Ų | 74 | 109.6 Ų | 109.6 | 52% | 0.517 | 60% | 0.596 | S | S | . | * | trans | -67.8 | 78.6 | 163.3 | 164.6 | 0 | 0 | 0 | 0 | 104.9 | T143 G147 | T143-S145 PolarHBondContact O-N 2.86Å; S145-G147 PolarHBondContact O-N 2.83Å | ||
| 146 | D | 50.5 | Low | 64.3 | Low | 124 Ų | 124 | 104.9 Ų | 104.9 | 66% | 0.663 | 59% | 0.587 | S | S | * | * | trans | -44.9 | 132.1 | -179.5 | -69.8 | -42.3 | 0 | 0 | 0 | 109.1 | K144 N148 | K144-D146 PolarHBondContact O-N 2.88Å; D146-N148 PolarHBondContact O-N 3.43Å | ||
| 147 | G | 52.2 | Low | 64.5 | Low | 92 Ų | 92 | 108.8 Ų | 108.8 | 95% | 0.948 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -71.3 | 48.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S145 | S145-G147 PolarHBondContact O-N 2.83Š|
| 148 | N | 51.7 | Low | 64.7 | Low | 94 Ų | 94 | 109.6 Ų | 109.6 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | trans | -132.5 | 28.3 | -173.8 | -155.1 | 27.6 | 0 | 0 | 0 | 111.1 | D146 E150 K151 | D146-N148 PolarHBondContact O-N 3.43Å; N148-E150 PolarHBondContact O-N 2.99Å; N148-K151 VanDerWaalsContact OD1-CD 3.29Å; N148-K151 WeakPolarHBondContact OD1-CD 3.43Å; N148-K151 WeakPolarHBondContact OD1-CE 3.28Å | ||
| 149 | R | 53.7 | Low | 65.2 | Low | 223 Ų | 223 | 109.5 Ų | 109.5 | 84% | 0.842 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 9.7 | 175.7 | -72.9 | -175.5 | 65.4 | 100.8 | 0.1 | 114.7 | ||
| 150 | E | 63.3 | Low | 66.1 | Low | 188 Ų | 188 | 104.4 Ų | 104.4 | 88% | 0.879 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 48.9 | 175.4 | -156.1 | 179.6 | 179.1 | 0 | 0 | 112.5 | N148 | N148-E150 PolarHBondContact O-N 2.99Š|
| 151 | K | 56.5 | Low | 67.6 | Low | 152 Ų | 152 | 108.7 Ų | 108.7 | 66% | 0.661 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -133.5 | 109.8 | 153.4 | -59.2 | -179.9 | -167.5 | 171.2 | 0 | 105.6 | N148 D153 | N148-K151 VanDerWaalsContact OD1-CD 3.29Å; N148-K151 WeakPolarHBondContact OD1-CD 3.43Å; N148-K151 WeakPolarHBondContact OD1-CE 3.28Å; K151-D153 PolarHBondContact O-N 3.38Å |
| 152 | I | 65.2 | Low | 69.4 | Low | 143 Ų | 143 | 110.1 Ų | 110.1 | 73% | 0.733 | 61% | 0.606 | S | S | * | * | trans | -56.1 | 115.8 | 166.9 | -66.5 | 168.8 | 0 | 0 | 0 | 104.8 | V154 | I152-V154 VanDerWaalsContact C-N 3.31Å; I152-V154 WeakPolarHBondContact O-CG2 3.35Å; I152-V154 PolarHBondContact O-N 2.84Å | ||
| 153 | D | 72.4 | Confident | 71 | Confident | 109 Ų | 109 | 110 Ų | 110 | 58% | 0.583 | 61% | 0.611 | S | S | * | * | trans | -69.5 | 95.5 | -173.6 | -165.8 | -13.7 | 0 | 0 | 0 | 108.3 | K151 M155 G156 L157 | K151-D153 PolarHBondContact O-N 3.38Å; D153-M155 PolarHBondContact O-N 3.15Å; D153-M155 WeakPolarHBondContact OD1-CB 3.43Å; D153-M155 PolarHBondContact OD1-N 3.13Å; D153-G156 CarbonylContact O-C 3.31Å; D153-G156 WeakPolarHBondContact O-CA 3.37Å; D153-G156 PolarHBondContact O-N 3.08Å; D153-L157 PolarHBondContact O-N 3.39Å | ||
| 154 | V | 83.4 | Confident | 73 | Confident | 103 Ų | 103 | 106.8 Ų | 106.8 | 62% | 0.624 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60 | -30.5 | -174.5 | -178 | 0 | 0 | 0 | 0 | 109.8 | I152 L158 | I152-V154 VanDerWaalsContact C-N 3.31Å; I152-V154 WeakPolarHBondContact O-CG2 3.35Å; I152-V154 PolarHBondContact O-N 2.84Å; V154-L158 WeakPolarHBondContact O-CB 3.32Å; V154-L158 PolarHBondContact O-N 3.31Å |
| 155 | M | 74.9 | Confident | 75 | Confident | 122 Ų | 122 | 102.1 Ų | 102.1 | 60% | 0.601 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.6 | -40.8 | 173 | -63.2 | -55.1 | -58 | 0 | 0 | 111.7 | D153 T159 | D153-M155 PolarHBondContact O-N 3.15Å; D153-M155 WeakPolarHBondContact OD1-CB 3.43Å; D153-M155 PolarHBondContact OD1-N 3.13Å; M155-T159 VanDerWaalsContact O-CB 3.25Å; M155-T159 WeakPolarHBondContact O-CB 3.09Å; M155-T159 PolarHBondContact O-N 2.67Å; M155-T159 PolarHBondContact O-OG1 3.17Å |
| 156 | G | 78.6 | Confident | 77.1 | Confident | 42 Ų | 42 | 102.4 Ų | 102.4 | 43% | 0.433 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.7 | -44.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D153 G160 | D153-G156 CarbonylContact O-C 3.31Å; D153-G156 WeakPolarHBondContact O-CA 3.37Å; D153-G156 PolarHBondContact O-N 3.08Å; G156-G160 PolarHBondContact O-N 3.37Å |
| 157 | L | 88 | Confident | 79.1 | Confident | 103 Ų | 103 | 101.4 Ų | 101.4 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.7 | -44.1 | 177 | -176.3 | 66.6 | 0 | 0 | 0 | 112 | D153 G160 L161 | D153-L157 PolarHBondContact O-N 3.39Å; L157-G160 PolarHBondContact O-N 3.34Å; L157-L161 HydrophobicContact CG-CD1 4.29Å; L157-L161 WeakPolarHBondContact O-CG 3.35Å; L157-L161 PolarHBondContact O-N 3.27Å |
| 158 | L | 89 | Confident | 81.2 | Confident | 89 Ų | 89 | 103.1 Ų | 103.1 | 47% | 0.466 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.8 | -46.8 | 176.4 | 180 | 63.6 | 0 | 0 | 0 | 111.1 | V154 L161 I162 | V154-L158 WeakPolarHBondContact O-CB 3.32Å; V154-L158 PolarHBondContact O-N 3.31Å; L158-L161 PolarHBondContact O-N 3.16Å; L158-I162 HydrophobicContact CD1-CD1 4.12Å; L158-I162 HydrophobicContact CG-CD1 4.02Å; L158-I162 VanDerWaalsContact O-CG1 3.29Å; L158-I162 WeakPolarHBondContact O-CG1 3.45Å; L158-I162 PolarHBondContact O-N 3.37Å |
| 159 | T | 89.5 | Confident | 83.3 | Confident | 85 Ų | 85 | 102.9 Ų | 102.9 | 52% | 0.521 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.8 | -42.9 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | M155 I162 A163 | M155-T159 VanDerWaalsContact O-CB 3.25Å; M155-T159 WeakPolarHBondContact O-CB 3.09Å; M155-T159 PolarHBondContact O-N 2.67Å; M155-T159 PolarHBondContact O-OG1 3.17Å; T159-I162 PolarHBondContact O-N 2.93Å; T159-A163 VanDerWaalsContact O-CB 3.32Å; T159-A163 WeakPolarHBondContact O-CB 3.24Å; T159-A163 PolarHBondContact O-N 3.2Å |
| 160 | G | 89.8 | Confident | 85.1 | Confident | 40 Ų | 40 | 96.4 Ų | 96.4 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G156 L157 A164 | G156-G160 PolarHBondContact O-N 3.37Å; L157-G160 PolarHBondContact O-N 3.34Å; G160-A164 VanDerWaalsContact O-CB 3.28Å; G160-A164 WeakPolarHBondContact O-CB 3.25Å; G160-A164 PolarHBondContact O-N 2.94Å |
| 161 | L | 94 | Very high | 86.3 | Confident | 115 Ų | 115 | 91.9 Ų | 91.9 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.3 | -41.5 | 176.6 | -73.2 | 172.8 | 0 | 0 | 0 | 112.3 | L157 L158 G165 | L157-L161 HydrophobicContact CG-CD1 4.29Å; L157-L161 WeakPolarHBondContact O-CG 3.35Å; L157-L161 PolarHBondContact O-N 3.27Å; L158-L161 PolarHBondContact O-N 3.16Å; L161-G165 PolarHBondContact O-N 3.42Å |
| 162 | I | 94.3 | Very high | 87.9 | Confident | 102 Ų | 102 | 86.9 Ų | 86.9 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 175.5 | -67 | 165.1 | 0 | 0 | 0 | 110.1 | L158 T159 A164 G165 V166 | L158-I162 HydrophobicContact CD1-CD1 4.12Å; L158-I162 HydrophobicContact CG-CD1 4.02Å; L158-I162 VanDerWaalsContact O-CG1 3.29Å; L158-I162 WeakPolarHBondContact O-CG1 3.45Å; L158-I162 PolarHBondContact O-N 3.37Å; T159-I162 PolarHBondContact O-N 2.93Å; I162-A164 PolarHBondContact O-N 2.8Å; I162-G165 PolarHBondContact O-N 2.86Å; I162-V166 WeakPolarHBondContact O-CG2 3.49Å; I162-V166 PolarHBondContact O-N 3.47Å |
| 163 | A | 91.3 | Very high | 89.3 | Confident | 58 Ų | 58 | 84.2 Ų | 84.2 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T159 G165 V166 F167 | T159-A163 VanDerWaalsContact O-CB 3.32Å; T159-A163 WeakPolarHBondContact O-CB 3.24Å; T159-A163 PolarHBondContact O-N 3.2Å; A163-G165 PolarHBondContact O-N 3.16Å; A163-V166 PolarHBondContact O-N 3.34Å; A163-F167 VanDerWaalsContact O-CB 3.3Å; A163-F167 WeakPolarHBondContact O-CB 3.24Å; A163-F167 PolarHBondContact O-N 3.34Å |
| 164 | A | 92.1 | Very high | 90.1 | Very high | 51 Ų | 51 | 83.2 Ų | 83.2 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G160 I162 F167 L168 | G160-A164 VanDerWaalsContact O-CB 3.28Å; G160-A164 WeakPolarHBondContact O-CB 3.25Å; G160-A164 PolarHBondContact O-N 2.94Å; I162-A164 PolarHBondContact O-N 2.8Å; A164-F167 PolarHBondContact O-N 2.93Å; A164-L168 WeakPolarHBondContact O-CG 3.38Å; A164-L168 PolarHBondContact O-N 2.8Å |
| 165 | G | 93.8 | Very high | 90.4 | Very high | 35 Ų | 35 | 79.8 Ų | 79.8 | 36% | 0.361 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L161 I162 A163 F167 L168 V169 | L161-G165 PolarHBondContact O-N 3.42Å; I162-G165 PolarHBondContact O-N 2.86Å; A163-G165 PolarHBondContact O-N 3.16Å; G165-F167 VanDerWaalsContact C-N 3.33Å; G165-F167 PolarHBondContact O-N 3.44Å; G165-L168 PolarHBondContact O-N 2.81Å; G165-V169 WeakPolarHBondContact O-CG2 3.27Å; G165-V169 PolarHBondContact O-N 2.81Å |
| 166 | V | 95 | Very high | 91.1 | Very high | 81 Ų | 81 | 80.9 Ų | 80.9 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 176.1 | 172 | 0 | 0 | 0 | 0 | 111 | I162 A163 V169 I170 | I162-V166 WeakPolarHBondContact O-CG2 3.49Å; I162-V166 PolarHBondContact O-N 3.47Å; A163-V166 PolarHBondContact O-N 3.34Å; V166-V169 PolarHBondContact O-N 3.14Å; V166-I170 HydrophobicContact CG1-CD1 3.7Å; V166-I170 HydrophobicContact CG1-CG1 4.39Å; V166-I170 VanDerWaalsContact O-CG1 3.31Å; V166-I170 WeakPolarHBondContact O-CG1 3.22Å; V166-I170 PolarHBondContact O-N 3.14Å |
| 167 | F | 93.4 | Very high | 91.4 | Very high | 103 Ų | 103 | 85.8 Ų | 85.8 | 45% | 0.452 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 175.9 | -166.9 | -92.6 | 0 | 0 | 0 | 111.7 | A163 A164 G165 V169 I170 F171 | A163-F167 VanDerWaalsContact O-CB 3.3Å; A163-F167 WeakPolarHBondContact O-CB 3.24Å; A163-F167 PolarHBondContact O-N 3.34Å; A164-F167 PolarHBondContact O-N 2.93Å; G165-F167 VanDerWaalsContact C-N 3.33Å; G165-F167 PolarHBondContact O-N 3.44Å; F167-V169 VanDerWaalsContact C-N 3.32Å; F167-V169 PolarHBondContact O-N 2.82Å; F167-I170 PolarHBondContact O-N 3.44Å; F167-F171 AromaticContact CD1-CD2 3.7Å; F167-F171 HydrophobicContact CD1-CD2 3.7Å; F167-F171 AromaticContact CD1-CE2 3.89Å; F167-F171 HydrophobicContact CD1-CE2 3.89Å; F167-F171 HydrophobicContact CD1-CG 4.43Å; F167-F171 HydrophobicContact CD2-CD2 4.22Å; F167-F171 AromaticContact CD2-CE2 3.85Å; F167-F171 HydrophobicContact CD2-CE2 3.85Å; F167-F171 AromaticContact CE1-CD2 3.59Å; F167-F171 HydrophobicContact CE1-CD2 3.59Å; F167-F171 HydrophobicContact CE1-CE1 4.45Å; F167-F171 AromaticContact CE1-CE2 3.41Å; F167-F171 HydrophobicContact CE1-CE2 3.41Å; F167-F171 VanDerWaalsContact CE1-CE2 3.41Å; F167-F171 HydrophobicContact CE1-CG 4.21Å; F167-F171 AromaticContact CE1-CZ 3.87Å; F167-F171 HydrophobicContact CE1-CZ 3.87Å; F167-F171 HydrophobicContact CE2-CD2 4.14Å; F167-F171 AromaticContact CE2-CE2 3.38Å; F167-F171 HydrophobicContact CE2-CE2 3.38Å; F167-F171 HydrophobicContact CE2-CZ 4.04Å; F167-F171 HydrophobicContact CG-CD2 4.03Å; F167-F171 HydrophobicContact CG-CE2 4.11Å; F167-F171 AromaticContact CZ-CD2 3.84Å; F167-F171 HydrophobicContact CZ-CD2 3.84Å; F167-F171 HydrophobicContact CZ-CE1 4.4Å; F167-F171 AromaticContact CZ-CE2 3.14Å; F167-F171 HydrophobicContact CZ-CE2 3.14Å; F167-F171 AromaticContact CZ-CZ 3.47Å; F167-F171 HydrophobicContact CZ-CZ 3.47Å; F167-F171 VanDerWaalsContact CZ-CZ 3.47Å; F167-F171 WeakPolarHBondContact O-CD2 3.43Å; F167-F171 PolarHBondContact O-N 3.3Å |
| 168 | L | 94.9 | Very high | 91.2 | Very high | 128 Ų | 128 | 85.4 Ų | 85.4 | 67% | 0.67 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61 | -38 | 176.8 | -73 | 174 | 0 | 0 | 0 | 112.9 | A164 G165 G172 | A164-L168 WeakPolarHBondContact O-CG 3.38Å; A164-L168 PolarHBondContact O-N 2.8Å; G165-L168 PolarHBondContact O-N 2.81Å; L168-G172 PolarHBondContact O-N 3.2Å |
| 169 | V | 95.6 | Very high | 90.8 | Very high | 89 Ų | 89 | 84.8 Ų | 84.8 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 174.8 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | G165 V166 F167 G172 L173 | G165-V169 WeakPolarHBondContact O-CG2 3.27Å; G165-V169 PolarHBondContact O-N 2.81Å; V166-V169 PolarHBondContact O-N 3.14Å; F167-V169 VanDerWaalsContact C-N 3.32Å; F167-V169 PolarHBondContact O-N 2.82Å; V169-G172 PolarHBondContact O-N 3.47Å; V169-L173 HydrophobicContact CG1-CD1 4.01Å; V169-L173 HydrophobicContact CG1-CG 4.45Å; V169-L173 WeakPolarHBondContact O-CB 3.27Å; V169-L173 WeakPolarHBondContact O-CG 3.19Å; V169-L173 PolarHBondContact O-N 3.42Å |
| 170 | I | 91.6 | Very high | 90.4 | Very high | 87 Ų | 87 | 84.3 Ų | 84.3 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 178.1 | -67.9 | 166.9 | 0 | 0 | 0 | 110.9 | V166 F167 L173 L174 | V166-I170 HydrophobicContact CG1-CD1 3.7Å; V166-I170 HydrophobicContact CG1-CG1 4.39Å; V166-I170 VanDerWaalsContact O-CG1 3.31Å; V166-I170 WeakPolarHBondContact O-CG1 3.22Å; V166-I170 PolarHBondContact O-N 3.14Å; F167-I170 PolarHBondContact O-N 3.44Å; I170-L173 PolarHBondContact O-N 3.28Å; I170-L174 VanDerWaalsContact O-CB 3.24Å; I170-L174 WeakPolarHBondContact O-CB 3.46Å; I170-L174 PolarHBondContact O-N 3.22Å |
| 171 | F | 89 | Confident | 89.5 | Confident | 93 Ų | 93 | 86.1 Ų | 86.1 | 41% | 0.408 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.4 | -34.7 | 177.7 | -86 | -103.2 | 0 | 0 | 0 | 112.6 | F167 G175 | F167-F171 AromaticContact CD1-CD2 3.7Å; F167-F171 HydrophobicContact CD1-CD2 3.7Å; F167-F171 AromaticContact CD1-CE2 3.89Å; F167-F171 HydrophobicContact CD1-CE2 3.89Å; F167-F171 HydrophobicContact CD1-CG 4.43Å; F167-F171 HydrophobicContact CD2-CD2 4.22Å; F167-F171 AromaticContact CD2-CE2 3.85Å; F167-F171 HydrophobicContact CD2-CE2 3.85Å; F167-F171 AromaticContact CE1-CD2 3.59Å; F167-F171 HydrophobicContact CE1-CD2 3.59Å; F167-F171 HydrophobicContact CE1-CE1 4.45Å; F167-F171 AromaticContact CE1-CE2 3.41Å; F167-F171 HydrophobicContact CE1-CE2 3.41Å; F167-F171 VanDerWaalsContact CE1-CE2 3.41Å; F167-F171 HydrophobicContact CE1-CG 4.21Å; F167-F171 AromaticContact CE1-CZ 3.87Å; F167-F171 HydrophobicContact CE1-CZ 3.87Å; F167-F171 HydrophobicContact CE2-CD2 4.14Å; F167-F171 AromaticContact CE2-CE2 3.38Å; F167-F171 HydrophobicContact CE2-CE2 3.38Å; F167-F171 HydrophobicContact CE2-CZ 4.04Å; F167-F171 HydrophobicContact CG-CD2 4.03Å; F167-F171 HydrophobicContact CG-CE2 4.11Å; F167-F171 AromaticContact CZ-CD2 3.84Å; F167-F171 HydrophobicContact CZ-CD2 3.84Å; F167-F171 HydrophobicContact CZ-CE1 4.4Å; F167-F171 AromaticContact CZ-CE2 3.14Å; F167-F171 HydrophobicContact CZ-CE2 3.14Å; F167-F171 AromaticContact CZ-CZ 3.47Å; F167-F171 HydrophobicContact CZ-CZ 3.47Å; F167-F171 VanDerWaalsContact CZ-CZ 3.47Å; F167-F171 WeakPolarHBondContact O-CD2 3.43Å; F167-F171 PolarHBondContact O-N 3.3Å; F171-G175 PolarHBondContact O-N 2.86Å |
| 172 | G | 90.3 | Very high | 88.3 | Confident | 46 Ų | 46 | 88 Ų | 88 | 47% | 0.474 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L168 V169 G175 Y176 | L168-G172 PolarHBondContact O-N 3.2Å; V169-G172 PolarHBondContact O-N 3.47Å; G172-G175 PolarHBondContact O-N 2.77Å; G172-Y176 VanDerWaalsContact O-CB 3.27Å; G172-Y176 WeakPolarHBondContact O-CB 3.25Å; G172-Y176 PolarHBondContact O-N 3.35Å |
| 173 | L | 93.4 | Very high | 86.7 | Confident | 87 Ų | 87 | 86.5 Ų | 86.5 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 174.7 | -72.4 | 173.7 | 0 | 0 | 0 | 111.5 | V169 I170 G175 Y176 Y177 | V169-L173 HydrophobicContact CG1-CD1 4.01Å; V169-L173 HydrophobicContact CG1-CG 4.45Å; V169-L173 WeakPolarHBondContact O-CB 3.27Å; V169-L173 WeakPolarHBondContact O-CG 3.19Å; V169-L173 PolarHBondContact O-N 3.42Å; I170-L173 PolarHBondContact O-N 3.28Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 2.77Å; L173-Y176 WeakPolarHBondContact O-CB 3.16Å; L173-Y176 PolarHBondContact O-N 3.38Å; L173-Y176 VanDerWaalsContact O-N 3.16Å; L173-Y177 HydrophobicContact CB-CD2 4.43Å; L173-Y177 HydrophobicContact CB-CE2 4.39Å; L173-Y177 WeakPolarHBondContact O-CD2 3.22Å; L173-Y177 PolarHBondContact O-N 2.86Å |
| 174 | L | 90.3 | Very high | 85.2 | Confident | 88 Ų | 88 | 89.3 Ų | 89.3 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 177.3 | -177.6 | 61.4 | 0 | 0 | 0 | 111.2 | I170 Y177 L178 | I170-L174 VanDerWaalsContact O-CB 3.24Å; I170-L174 WeakPolarHBondContact O-CB 3.46Å; I170-L174 PolarHBondContact O-N 3.22Å; L174-Y177 PolarHBondContact O-N 3.29Å; L174-L178 HydrophobicContact CD1-CD1 4.25Å; L174-L178 HydrophobicContact CD1-CG 4.26Å; L174-L178 HydrophobicContact CG-CD1 4.01Å; L174-L178 HydrophobicContact CG-CG 4.43Å; L174-L178 VanDerWaalsContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CB 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.33Å; L174-L178 PolarHBondContact O-N 3.39Å |
| 175 | G | 89.3 | Confident | 83.3 | Confident | 31 Ų | 31 | 97.1 Ų | 97.1 | 32% | 0.32 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F171 G172 L173 L178 C179 | F171-G175 PolarHBondContact O-N 2.86Å; G172-G175 PolarHBondContact O-N 2.77Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 2.77Å; G175-L178 PolarHBondContact O-N 2.82Å; G175-C179 VanDerWaalsContact O-CB 3.32Å; G175-C179 WeakPolarHBondContact O-CB 3.31Å; G175-C179 PolarHBondContact O-N 2.75Å; G175-C179 PolarHBondContact O-SG 3.27Å |
| 176 | Y | 90.7 | Very high | 81.2 | Confident | 145 Ų | 145 | 101.9 Ų | 101.9 | 57% | 0.569 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 175.7 | 174.4 | -107.3 | 0 | 0 | 0 | 112.7 | G172 L173 C179 I180 | G172-Y176 VanDerWaalsContact O-CB 3.27Å; G172-Y176 WeakPolarHBondContact O-CB 3.25Å; G172-Y176 PolarHBondContact O-N 3.35Å; L173-Y176 WeakPolarHBondContact O-CB 3.16Å; L173-Y176 PolarHBondContact O-N 3.38Å; L173-Y176 VanDerWaalsContact O-N 3.16Å; Y176-C179 WeakPolarHBondContact O-CB 3.2Å; Y176-C179 PolarHBondContact O-N 3.14Å; Y176-I180 HydrophobicContact CD1-CD1 4.02Å; Y176-I180 HydrophobicContact CD2-CD1 4.32Å; Y176-I180 HydrophobicContact CE1-CD1 3.47Å; Y176-I180 VanDerWaalsContact CE1-CD1 3.47Å; Y176-I180 HydrophobicContact CE2-CD1 3.8Å; Y176-I180 HydrophobicContact CE2-CG1 4.4Å; Y176-I180 HydrophobicContact CG-CD1 4.43Å; Y176-I180 PolarHBondContact O-N 3.43Å |
| 177 | Y | 83.4 | Confident | 78.7 | Confident | 145 Ų | 145 | 105 Ų | 105 | 57% | 0.569 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.4 | -39 | 173.6 | -77.3 | -65.3 | 0 | 0 | 0 | 112 | L173 L174 I180 T181 | L173-Y177 HydrophobicContact CB-CD2 4.43Å; L173-Y177 HydrophobicContact CB-CE2 4.39Å; L173-Y177 WeakPolarHBondContact O-CD2 3.22Å; L173-Y177 PolarHBondContact O-N 2.86Å; L174-Y177 PolarHBondContact O-N 3.29Å; Y177-I180 PolarHBondContact O-N 2.93Å; Y177-T181 WeakPolarHBondContact O-CB 3.43Å; Y177-T181 VanDerWaalsContact O-CG2 3.31Å; Y177-T181 WeakPolarHBondContact O-CG2 3.5Å; Y177-T181 PolarHBondContact O-N 2.97Å; Y177-T181 PolarHBondContact O-OG1 2.83Å |
| 178 | L | 85.1 | Confident | 76.6 | Confident | 96 Ų | 96 | 108.6 Ų | 108.6 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.9 | -36.8 | 173.9 | -73 | 174.2 | 0 | 0 | 0 | 111.9 | L174 G175 T181 K182 | L174-L178 HydrophobicContact CD1-CD1 4.25Å; L174-L178 HydrophobicContact CD1-CG 4.26Å; L174-L178 HydrophobicContact CG-CD1 4.01Å; L174-L178 HydrophobicContact CG-CG 4.43Å; L174-L178 VanDerWaalsContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CB 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.33Å; L174-L178 PolarHBondContact O-N 3.39Å; G175-L178 PolarHBondContact O-N 2.82Å; L178-T181 WeakPolarHBondContact CA-OG1 3.39Å; L178-T181 PolarHBondContact O-OG1 3.24Å; L178-K182 WeakPolarHBondContact O-CB 3.47Å; L178-K182 WeakPolarHBondContact O-CG 3.32Å; L178-K182 PolarHBondContact O-N 3.1Å |
| 179 | C | 79.7 | Confident | 74 | Confident | 76 Ų | 76 | 106.7 Ų | 106.7 | 51% | 0.514 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -51.5 | 170.7 | -84.6 | 0 | 0 | 0 | 0 | 111 | G175 Y176 T181 K182 C183 | G175-C179 VanDerWaalsContact O-CB 3.32Å; G175-C179 WeakPolarHBondContact O-CB 3.31Å; G175-C179 PolarHBondContact O-N 2.75Å; G175-C179 PolarHBondContact O-SG 3.27Å; Y176-C179 WeakPolarHBondContact O-CB 3.2Å; Y176-C179 PolarHBondContact O-N 3.14Å; C179-T181 PolarHBondContact O-N 3.29Å; C179-K182 PolarHBondContact O-N 3.31Å; C179-C183 VanDerWaalsContact O-CB 3.22Å; C179-C183 WeakPolarHBondContact O-CB 3.4Å; C179-C183 PolarHBondContact O-N 3.34Å; C179-C183 PolarHBondContact O-SG 3.15Å |
| 180 | I | 80.8 | Confident | 71.4 | Confident | 75 Ų | 75 | 111.2 Ų | 111.2 | 39% | 0.385 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.9 | -48.4 | 177 | -75.5 | 173.8 | 0 | 0 | 0 | 110.9 | Y176 Y177 C183 N184 | Y176-I180 HydrophobicContact CD1-CD1 4.02Å; Y176-I180 HydrophobicContact CD2-CD1 4.32Å; Y176-I180 HydrophobicContact CE1-CD1 3.47Å; Y176-I180 VanDerWaalsContact CE1-CD1 3.47Å; Y176-I180 HydrophobicContact CE2-CD1 3.8Å; Y176-I180 HydrophobicContact CE2-CG1 4.4Å; Y176-I180 HydrophobicContact CG-CD1 4.43Å; Y176-I180 PolarHBondContact O-N 3.43Å; Y177-I180 PolarHBondContact O-N 2.93Å; I180-C183 PolarHBondContact O-N 3.24Å; I180-N184 WeakPolarHBondContact O-CB 3.38Å; I180-N184 PolarHBondContact O-N 2.93Å |
| 181 | T | 72 | Confident | 69.1 | Low | 77 Ų | 77 | 111.6 Ų | 111.6 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.2 | -33.3 | -178.2 | 53.4 | 0 | 0 | 0 | 0 | 113 | Y177 L178 C179 R185 | Y177-T181 WeakPolarHBondContact O-CB 3.43Å; Y177-T181 VanDerWaalsContact O-CG2 3.31Å; Y177-T181 WeakPolarHBondContact O-CG2 3.5Å; Y177-T181 PolarHBondContact O-N 2.97Å; Y177-T181 PolarHBondContact O-OG1 2.83Å; L178-T181 WeakPolarHBondContact CA-OG1 3.39Å; L178-T181 PolarHBondContact O-OG1 3.24Å; C179-T181 PolarHBondContact O-N 3.29Å; T181-R185 WeakPolarHBondContact O-CG 3.17Å; T181-R185 PolarHBondContact O-N 3.39Å; T181-R185 VanDerWaalsContact O-N 3.1Å |
| 182 | K | 67.4 | Low | 67 | Low | 154 Ų | 154 | 113 Ų | 113 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.8 | -45.6 | 169.6 | -87 | -94.1 | 179.2 | 65.5 | 0 | 112 | L178 C179 R185 L186 | L178-K182 WeakPolarHBondContact O-CB 3.47Å; L178-K182 WeakPolarHBondContact O-CG 3.32Å; L178-K182 PolarHBondContact O-N 3.1Å; C179-K182 PolarHBondContact O-N 3.31Å; K182-R185 CarbonylContact O-C 3.57Å; K182-R185 PolarHBondContact O-N 3.22Å; K182-L186 WeakPolarHBondContact O-CB 3.37Å; K182-L186 PolarHBondContact O-N 3.42Å |
| 183 | C | 60.7 | Low | 64.7 | Low | 71 Ų | 71 | 115 Ų | 115 | 48% | 0.48 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.3 | -43.2 | 178.2 | -72 | 0 | 0 | 0 | 0 | 111.1 | C179 I180 R185 L186 Q187 | C179-C183 VanDerWaalsContact O-CB 3.22Å; C179-C183 WeakPolarHBondContact O-CB 3.4Å; C179-C183 PolarHBondContact O-N 3.34Å; C179-C183 PolarHBondContact O-SG 3.15Å; I180-C183 PolarHBondContact O-N 3.24Å; C183-R185 VanDerWaalsContact C-N 3.3Å; C183-R185 PolarHBondContact O-N 3.36Å; C183-L186 CarbonylContact O-C 3.2Å; C183-L186 VanDerWaalsContact O-C 3.32Å; C183-L186 WeakPolarHBondContact O-CA 3.43Å; C183-L186 PolarHBondContact O-N 3.32Å; C183-Q187 PolarHBondContact O-N 3.18Å; C183-Q187 PolarHBondContact O-OE1 3.44Å |
| 184 | N | 60.8 | Low | 62.6 | Low | 118 Ų | 118 | 116.9 Ų | 116.9 | 63% | 0.631 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.6 | -28.6 | 176.6 | -152.9 | 25.1 | 0 | 0 | 0 | 112.3 | I180 | I180-N184 WeakPolarHBondContact O-CB 3.38Å; I180-N184 PolarHBondContact O-N 2.93Å |
| 185 | R | 53 | Low | 60.1 | Low | 215 Ų | 215 | 123.9 Ų | 123.9 | 81% | 0.811 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.5 | -35.4 | 165.3 | -79.8 | -171.2 | 180 | -146.8 | 2.8 | 112.9 | T181 K182 C183 Q187 H188 | T181-R185 WeakPolarHBondContact O-CG 3.17Å; T181-R185 PolarHBondContact O-N 3.39Å; T181-R185 VanDerWaalsContact O-N 3.1Å; K182-R185 CarbonylContact O-C 3.57Å; K182-R185 PolarHBondContact O-N 3.22Å; C183-R185 VanDerWaalsContact C-N 3.3Å; C183-R185 PolarHBondContact O-N 3.36Å; R185-Q187 PolarHBondContact O-N 3.38Å; R185-H188 PolarHBondContact O-N 3.2Å |
| 186 | L | 49.8 | Very low | 57.8 | Low | 134 Ų | 134 | 128.8 Ų | 128.8 | 70% | 0.702 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 2.2 | 179 | -153.6 | 72.2 | 0 | 0 | 0 | 113.3 | K182 C183 H188 P189 | K182-L186 WeakPolarHBondContact O-CB 3.37Å; K182-L186 PolarHBondContact O-N 3.42Å; C183-L186 CarbonylContact O-C 3.2Å; C183-L186 VanDerWaalsContact O-C 3.32Å; C183-L186 WeakPolarHBondContact O-CA 3.43Å; C183-L186 PolarHBondContact O-N 3.32Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-P189 WeakPolarHBondContact O-CD 3.2Å; L186-P189 WeakPolarHBondContact O-CG 3.46Å |
| 187 | Q | 42 | Very low | 55.1 | Low | 146 Ų | 146 | 131.7 Ų | 131.7 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -12.5 | 165.5 | -126 | 88.4 | 28.7 | 0 | 0 | 112.4 | C183 R185 | C183-Q187 PolarHBondContact O-N 3.18Å; C183-Q187 PolarHBondContact O-OE1 3.44Å; R185-Q187 PolarHBondContact O-N 3.38Å |
| 188 | H | 49.9 | Very low | 52.8 | Low | 179 Ų | 179 | 128 Ų | 128 | 83% | 0.829 | 67% | 0.674 | S | S | * | * | trans | -107.2 | 73.5 | 169.7 | -91.9 | -66.4 | 0 | 0 | 0 | 114.3 | R185 L186 | R185-H188 PolarHBondContact O-N 3.2Å; L186-H188 VanDerWaalsContact C-N 3.29Å | ||
| 189 | P | 39.9 | Very low | 50.6 | Low | 89 Ų | 89 | 134.3 Ų | 134.3 | 58% | 0.578 | 69% | 0.691 | S | S | * | * | trans | -122.1 | 105.7 | 150.9 | 24.5 | -4.6 | 0 | 0 | 0 | 108.5 | L186 S191 | L186-P189 WeakPolarHBondContact O-CD 3.2Å; L186-P189 WeakPolarHBondContact O-CG 3.46Å; P189-S191 PolarHBondContact O-N 3.07Å | ||
| 190 | H | 40.4 | Very low | 48.6 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 85% | 0.852 | 70% | 0.702 | S | S | * | * | trans | -67.8 | 104.7 | 177 | -169.4 | -88.2 | 0 | 0 | 0 | 109.8 | ||||
| 191 | S | 42.4 | Very low | 46.7 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | trans | 22.6 | 110.4 | 162.8 | -171.5 | 0 | 0 | 0 | 0 | 117.6 | P189 | P189-S191 PolarHBondContact O-N 3.07Š| ||
| 192 | S | 46.8 | Very low | 44.9 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -133.1 | 70.4 | 164.5 | -66.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 193 | A | 40.4 | Very low | 43.7 | Very low | 90 Ų | 90 | 140.2 Ų | 140.2 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | trans | -91.7 | 114.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 194 | V | 50.9 | Low | 43.2 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | trans | -134.4 | 89.6 | 174.5 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 195 | Y | 36.9 | Very low | 42.2 | Very low | 236 Ų | 236 | 145.6 Ų | 145.6 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | trans | -163.7 | 135.3 | 153 | -66.8 | -68.7 | 0 | 0 | 0 | 105.3 | ||||
| 196 | E | 41.1 | Very low | 41.4 | Very low | 133 Ų | 133 | 146 Ų | 146 | 62% | 0.621 | 77% | 0.765 | S | S | * | * | cis | -156.1 | 158.7 | -3 | -150.1 | -155.8 | -180 | 0 | 0 | 110.1 | ||||
| 197 | R | 33.6 | Very low | 40.8 | Very low | 206 Ų | 206 | 149.7 Ų | 149.7 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | 56.5 | 112.4 | 145.8 | -173 | 173.7 | -70.1 | 134.5 | 4.7 | 120.4 | ||||
| 198 | G | 34.9 | Very low | 40.5 | Very low | 69 Ų | 69 | 151.2 Ų | 151.2 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 152.9 | 91.6 | 141.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 199 | R | 38.8 | Very low | 39.7 | Very low | 228 Ų | 228 | 151.7 Ų | 151.7 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 40.5 | 127.9 | 146.1 | -74.4 | -174.4 | -177 | -179.7 | 3.5 | 121.8 | ||||
| 200 | H | 37.3 | Very low | 39.5 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | trans | 98.2 | 107.6 | 145.5 | -61.9 | -3.7 | 0 | 0 | 0 | 119.3 | ||||
| 201 | T | 40.7 | Very low | 39.2 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | 56.3 | 109.3 | 129.9 | -35.3 | 0 | 0 | 0 | 0 | 119.3 | S203 | T201-S203 PolarHBondContact O-N 3.43Å; T201-S203 VanDerWaalsContact O-N 3.11Å | |||
| 202 | P | 36.2 | Very low | 38.7 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | trans | -81.5 | 88.4 | 168.5 | 33.8 | -31.8 | 0 | 0 | 0 | 110.6 | I204 | P202-I204 PolarHBondContact O-N 2.99Š| ||
| 203 | S | 40.8 | Very low | 37.9 | Very low | 99 Ų | 99 | 151 Ų | 151 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -85.1 | 105.2 | 164.8 | 58.5 | 0 | 0 | 0 | 0 | 110.4 | T201 | T201-S203 PolarHBondContact O-N 3.43Å; T201-S203 VanDerWaalsContact O-N 3.11Å | ||
| 204 | I | 50.9 | Low | 37.6 | Very low | 154 Ų | 154 | 154.6 Ų | 154.6 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 2.3 | 120.5 | 142 | 35.8 | 168.9 | 0 | 0 | 0 | 116.3 | P202 | P202-I204 PolarHBondContact O-N 2.99Š| ||
| 205 | I | 38.8 | Very low | 36.8 | Very low | 147 Ų | 147 | 153.8 Ų | 153.8 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | -176.2 | 104.7 | 129.7 | -88 | 145.7 | 0 | 0 | 0 | 107.1 | R207 | I205-R207 HydrophobicContact CG2-CB 3.91Š| |||
| 206 | F | 35.8 | Very low | 36.8 | Very low | 224 Ų | 224 | 148.9 Ų | 148.9 | 98% | 0.982 | 77% | 0.774 | S | S | * | * | trans | -85.1 | 107.4 | 160 | -109.7 | -87.4 | 0 | 0 | 0 | 107.3 | ||||
| 207 | R | 37.3 | Very low | 36.3 | Very low | 211 Ų | 211 | 150.3 Ų | 150.3 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -104.2 | 104.1 | 178.1 | -161.8 | 179.4 | -165.1 | 137.9 | 1.4 | 110.3 | I205 | I205-R207 HydrophobicContact CG2-CB 3.91Š| ||
| 208 | R | 36.2 | Very low | 37.1 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 67% | 0.672 | 78% | 0.781 | S | S | * | * | trans | 58.8 | 118.2 | 145 | -164.6 | -174.8 | -137.4 | 87.6 | 0.6 | 118.1 | E210 | R208-E210 HydrophobicContact CG-CG 4.33Å; R208-E210 IonicContact CZ-OE1 3.09Å; R208-E210 VanDerWaalsContact NE-CD 3.31Å; R208-E210 IonicContact NE-OE1 2.74Å; R208-E210 PolarHBondContact NE-OE1 3.35Å; R208-E210 IonicContact NE-OE2 3.72Å; R208-E210 IonicContact NH2-OE1 2.65Å; R208-E210 PolarHBondContact NH2-OE1 3.16Å | ||
| 209 | H | 32.5 | Very low | 37.7 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | -131.1 | 132.5 | 125.5 | -156 | -75.8 | 0 | 0 | 0 | 109.3 | |||||
| 210 | E | 36.8 | Very low | 37.2 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 48% | 0.481 | 78% | 0.781 | S | S | . | * | trans | -71.3 | 162.3 | 173.4 | -83.1 | 157 | 174.1 | 0 | 0 | 110.4 | R208 | R208-E210 HydrophobicContact CG-CG 4.33Å; R208-E210 IonicContact CZ-OE1 3.09Å; R208-E210 VanDerWaalsContact NE-CD 3.31Å; R208-E210 IonicContact NE-OE1 2.74Å; R208-E210 PolarHBondContact NE-OE1 3.35Å; R208-E210 IonicContact NE-OE2 3.72Å; R208-E210 IonicContact NH2-OE1 2.65Å; R208-E210 PolarHBondContact NH2-OE1 3.16Å | ||
| 211 | E | 34.8 | Very low | 37.2 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | -174.5 | 178.5 | -9 | 175.8 | 157.7 | -144.2 | 0 | 0 | 107.6 | ||||
| 212 | A | 30.4 | Very low | 37.1 | Very low | 96 Ų | 96 | 144 Ų | 144 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | 74.6 | 87 | 164.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 213 | A | 31.6 | Very low | 37.4 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | -156.9 | 148.4 | 123.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 214 | L | 34 | Very low | 37.7 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -113.2 | 128.4 | -159.3 | -71.9 | 145.7 | 0 | 0 | 0 | 114.9 | ||||
| 215 | S | 33.4 | Very low | 37.8 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 60.6 | 161.8 | 145.3 | -57.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 216 | P | 36.9 | Very low | 38.5 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | cis | -128.1 | -169 | -31.7 | 33.2 | -11.9 | 0 | 0 | 0 | 114.3 | ||||
| 217 | L | 30.6 | Very low | 39.8 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -109.8 | -165.3 | -163.6 | -141 | 89.3 | 0 | 0 | 0 | 113.8 | ||||
| 218 | P | 50.5 | Low | 41.3 | Very low | 105 Ų | 105 | 129 Ų | 129 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | -113.1 | -142.3 | -65.9 | 42.6 | -26.6 | 0 | 0 | 0 | 111.5 | |||||
| 219 | P | 48.2 | Very low | 42.4 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | cis | -125.4 | 158.1 | -35 | 35.1 | -19.2 | 0 | 0 | 0 | 115 | ||||
| 220 | S | 28.5 | Very low | 44 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 179.7 | 149.5 | 164.5 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 221 | V | 35.9 | Very low | 45.5 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | cis | -160.9 | 137.1 | -24.1 | 132.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 222 | E | 39.5 | Very low | 46.9 | Very low | 183 Ų | 183 | 123.9 Ų | 123.9 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | 54.1 | 152.4 | 161.4 | -65.5 | -57.9 | 139.1 | 0 | 0 | 124 | ||||
| 223 | D | 42.1 | Very low | 48.4 | Very low | 150 Ų | 150 | 121.9 Ų | 121.9 | 80% | 0.802 | 73% | 0.726 | S | S | * | * | trans | -112.8 | -179.3 | -176 | 179.9 | 29 | 0 | 0 | 0 | 111.3 | ||||
| 224 | A | 46.7 | Very low | 49.9 | Very low | 93 Ų | 93 | 119.8 Ų | 119.8 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | trans | 71.9 | 145.3 | 175 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 225 | G | 53.8 | Low | 51.1 | Low | 66 Ų | 66 | 118.2 Ų | 118.2 | 68% | 0.68 | 70% | 0.701 | S | S | * | * | cis | 161.9 | 147.9 | 0.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 226 | L | 52.8 | Low | 52.2 | Low | 172 Ų | 172 | 117.7 Ų | 117.7 | 90% | 0.901 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.8 | 179.7 | -82.9 | 149.7 | 0 | 0 | 0 | 111.1 | ||
| 227 | P | 62.9 | Low | 53 | Low | 96 Ų | 96 | 120.6 Ų | 120.6 | 62% | 0.623 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 145 | -175.5 | 28.1 | -34.9 | 0 | 0 | 0 | 112.2 | ||
| 228 | S | 68.3 | Low | 53.8 | Low | 75 Ų | 75 | 121.6 Ų | 121.6 | 52% | 0.524 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 146.5 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | E230 Q231 | S228-E230 PolarHBondContact O-N 3.46Å; S228-E230 VanDerWaalsContact O-N 3.1Å; S228-Q231 VanDerWaalsContact O-CB 3.31Å; S228-Q231 WeakPolarHBondContact O-CB 3.42Å; S228-Q231 PolarHBondContact O-N 3.44Å |
| 229 | Y | 59.8 | Low | 54.1 | Low | 189 Ų | 189 | 124.9 Ų | 124.9 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -47.8 | -39.5 | -178.8 | 173 | -104.6 | 0 | 0 | 0 | 113.8 | Q231 A232 V233 | Y229-Q231 VanDerWaalsContact C-N 3.25Å; Y229-Q231 PolarHBondContact O-N 3.37Å; Y229-A232 PolarHBondContact O-N 3.28Å; Y229-V233 HydrophobicContact CE1-CG2 4.23Å; Y229-V233 HydrophobicContact CE2-CG2 4.2Å; Y229-V233 PolarHBondContact O-N 3.3Å |
| 230 | E | 66.4 | Low | 54.1 | Low | 158 Ų | 158 | 123.8 Ų | 123.8 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -64.1 | -31.2 | -178.3 | -55.7 | -172.8 | 176 | 0 | 0 | 112.8 | S228 A234 | S228-E230 PolarHBondContact O-N 3.46Å; S228-E230 VanDerWaalsContact O-N 3.1Å; E230-A234 PolarHBondContact O-N 3.34Å |
| 231 | Q | 68.9 | Low | 55.2 | Low | 132 Ų | 132 | 124.9 Ų | 124.9 | 62% | 0.617 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -74.9 | -31.1 | -178.4 | -144.9 | 168.8 | 4.7 | 0 | 0 | 111.8 | S228 Y229 | S228-Q231 VanDerWaalsContact O-CB 3.31Å; S228-Q231 WeakPolarHBondContact O-CB 3.42Å; S228-Q231 PolarHBondContact O-N 3.44Å; Y229-Q231 VanDerWaalsContact C-N 3.25Å; Y229-Q231 PolarHBondContact O-N 3.37Å |
| 232 | A | 63.5 | Low | 55.8 | Low | 58 Ų | 58 | 124.3 Ų | 124.3 | 48% | 0.479 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -72.3 | -40.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y229 A234 L235 | Y229-A232 PolarHBondContact O-N 3.28Å; A232-A234 VanDerWaalsContact C-N 3.32Å; A232-A234 PolarHBondContact O-N 3.1Å; A232-L235 WeakPolarHBondContact O-CB 3.31Å; A232-L235 PolarHBondContact O-N 2.96Å; A232-L235 VanDerWaalsContact O-N 3.16Å |
| 233 | V | 62.8 | Low | 57 | Low | 54 Ų | 54 | 121.2 Ų | 121.2 | 33% | 0.327 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -69 | -29.1 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | Y229 L235 T236 | Y229-V233 HydrophobicContact CE1-CG2 4.23Å; Y229-V233 HydrophobicContact CE2-CG2 4.2Å; Y229-V233 PolarHBondContact O-N 3.3Å; V233-L235 VanDerWaalsContact C-N 3.28Å; V233-L235 PolarHBondContact O-N 3.29Å; V233-T236 PolarHBondContact O-OG1 3.11Å |
| 234 | A | 62.2 | Low | 57.6 | Low | 59 Ų | 59 | 119.8 Ų | 119.8 | 49% | 0.488 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -68.1 | -26.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | E230 A232 | E230-A234 PolarHBondContact O-N 3.34Å; A232-A234 VanDerWaalsContact C-N 3.32Å; A232-A234 PolarHBondContact O-N 3.1Å |
| 235 | L | 59.7 | Low | 57.9 | Low | 132 Ų | 132 | 120 Ų | 120 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -78.7 | -40.7 | -174.8 | -128.5 | 160.8 | 0 | 0 | 0 | 112.1 | A232 V233 | A232-L235 WeakPolarHBondContact O-CB 3.31Å; A232-L235 PolarHBondContact O-N 2.96Å; A232-L235 VanDerWaalsContact O-N 3.16Å; V233-L235 VanDerWaalsContact C-N 3.28Å; V233-L235 PolarHBondContact O-N 3.29Å |
| 236 | T | 55.3 | Low | 57.8 | Low | 98 Ų | 98 | 122.8 Ų | 122.8 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.6 | -30 | 176.7 | 33.1 | 0 | 0 | 0 | 0 | 113.6 | V233 K238 H239 | V233-T236 PolarHBondContact O-OG1 3.11Å; T236-K238 PolarHBondContact O-N 2.74Å; T236-K238 VanDerWaalsContact O-N 3.07Å; T236-H239 PolarHBondContact O-N 2.65Å |
| 237 | R | 54.2 | Low | 57 | Low | 192 Ų | 192 | 124.9 Ų | 124.9 | 73% | 0.725 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -59.7 | -22.3 | -178.8 | -167.4 | 178.7 | -64.7 | 167.1 | 1.7 | 114 | H239 | R237-H239 VanDerWaalsContact C-N 3.32Å; R237-H239 PolarHBondContact O-N 3.45Å |
| 238 | K | 48.8 | Very low | 56.3 | Low | 185 Ų | 185 | 126.2 Ų | 126.2 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -76.2 | -8.9 | -179.9 | -74.9 | -171.9 | 175.7 | -177.2 | 0 | 115.1 | T236 | T236-K238 PolarHBondContact O-N 2.74Å; T236-K238 VanDerWaalsContact O-N 3.07Å |
| 239 | H | 56.2 | Low | 55.6 | Low | 173 Ų | 173 | 126.2 Ų | 126.2 | 80% | 0.801 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -122.9 | 15.8 | -167.5 | -82.1 | 101.4 | 0 | 0 | 0 | 116.6 | T236 R237 | T236-H239 PolarHBondContact O-N 2.65Å; R237-H239 VanDerWaalsContact C-N 3.32Å; R237-H239 PolarHBondContact O-N 3.45Å |
| 240 | S | 47.4 | Very low | 54.6 | Low | 94 Ų | 94 | 127.7 Ų | 127.7 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | trans | -137.7 | 96 | -179.8 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 241 | V | 51.9 | Low | 53.5 | Low | 140 Ų | 140 | 124.7 Ų | 124.7 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | trans | -135.4 | 95.3 | 168.1 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 242 | S | 49 | Very low | 52.3 | Low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 71% | 0.712 | S | S | * | * | trans | 171.9 | 133.9 | 143.3 | -79.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 243 | P | 64.4 | Low | 51.6 | Low | 118 Ų | 118 | 128.5 Ų | 128.5 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -81 | 153.1 | 167.8 | 33.7 | -33.4 | 0 | 0 | 0 | 111.7 | ||
| 244 | P | 55.4 | Low | 50.5 | Low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 148.5 | 177.7 | 30.6 | -34.8 | 0 | 0 | 0 | 112.8 | ||
| 245 | P | 51.6 | Low | 50.2 | Low | 97 Ų | 97 | 144.5 Ų | 144.5 | 63% | 0.63 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 157 | -178.6 | 33 | -36.1 | 0 | 0 | 0 | 113.7 | ||
| 246 | P | 51.9 | Low | 49.2 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 148.2 | 178.4 | 34.6 | -34.7 | 0 | 0 | 0 | 112.9 | ||
| 247 | Y | 35.8 | Very low | 48.5 | Very low | 216 Ų | 216 | 149 Ų | 149 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | -106 | 135.7 | 179.5 | -78.8 | -83.8 | 0 | 0 | 0 | 113.4 | ||||
| 248 | P | 47.7 | Very low | 48.2 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -87.9 | 158.3 | 174.1 | 35.7 | -34.6 | 0 | 0 | 0 | 112.8 | ||||
| 249 | G | 54.6 | Low | 47.6 | Very low | 75 Ų | 75 | 150.7 Ų | 150.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -113.9 | 154.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 250 | Y | 39.3 | Very low | 47.7 | Very low | 219 Ų | 219 | 147.2 Ų | 147.2 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -155.1 | 104.2 | -179.3 | -162 | -113.6 | 0 | 0 | 0 | 115.1 | ||||
| 251 | T | 42.9 | Very low | 47.3 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 59% | 0.589 | 80% | 0.802 | S | S | * | * | trans | 55.8 | 130.8 | 131.3 | 71.3 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 252 | K | 44.3 | Very low | 47.6 | Very low | 205 Ų | 205 | 149.3 Ų | 149.3 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | 67.5 | 124.9 | 118.4 | -163.4 | -178.3 | -171.8 | -178.5 | 0 | 122.3 | |||||
| 253 | G | 47.3 | Very low | 47.6 | Very low | 64 Ų | 64 | 152 Ų | 152 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | trans | 99 | 140.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 254 | F | 39.8 | Very low | 46.9 | Very low | 211 Ų | 211 | 152.4 Ų | 152.4 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | cis | -135.3 | 157.9 | 21.1 | -80.8 | -103 | 0 | 0 | 0 | 113.4 | ||||
| 255 | R | 55.8 | Low | 46.4 | Very low | 238 Ų | 238 | 152.1 Ų | 152.1 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 144.3 | 160.4 | -66 | 176.7 | -78.3 | -121.1 | 1.5 | 108.7 | ||||
| 256 | V | 38.8 | Very low | 46.1 | Very low | 129 Ų | 129 | 160.3 Ų | 160.3 | 78% | 0.782 | 84% | 0.835 | S | S | * | * | trans | -162.2 | 124.5 | 147.8 | 136.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 257 | F | 42.2 | Very low | 45.8 | Very low | 195 Ų | 195 | 162.1 Ų | 162.1 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | 29.1 | 117.2 | 158 | -64.7 | -90.5 | 0 | 0 | 0 | 123 | ||||
| 258 | K | 48 | Very low | 46.3 | Very low | 202 Ų | 202 | 159.3 Ų | 159.3 | 88% | 0.878 | 84% | 0.836 | S | S | * | * | trans | -69.7 | 145.9 | 150.5 | -68.6 | 178.9 | 173.5 | -178.1 | 0 | 110.3 | ||||
| 259 | K | 35.8 | Very low | 46.2 | Very low | 211 Ų | 211 | 161.2 Ų | 161.2 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | trans | -110.3 | 120 | 149.5 | -169.9 | 173.6 | -178.5 | -177.7 | 0 | 107.6 | ||||
| 260 | S | 57.7 | Low | 45.8 | Very low | 100 Ų | 100 | 166.3 Ų | 166.3 | 70% | 0.699 | 84% | 0.841 | S | S | * | * | trans | -95.2 | 130.7 | -179.4 | 46.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 261 | M | 39.2 | Very low | 46.2 | Very low | 171 Ų | 171 | 163 Ų | 163 | 84% | 0.842 | 84% | 0.84 | S | S | * | * | trans | -90.7 | 110 | 161.4 | -70 | 173.1 | 82.4 | 0 | 0 | 108.1 | ||||
| 262 | S | 57.3 | Low | 46.4 | Very low | 107 Ų | 107 | 167.5 Ų | 167.5 | 75% | 0.748 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -97 | 133.4 | 166.4 | 49.8 | 0 | 0 | 0 | 0 | 109 | ||
| 263 | L | 50.3 | Low | 46.5 | Very low | 168 Ų | 168 | 164.8 Ų | 164.8 | 88% | 0.88 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 144.7 | 169.6 | -68.1 | 162 | 0 | 0 | 0 | 110.2 | ||
| 264 | P | 48.3 | Very low | 46.5 | Very low | 127 Ų | 127 | 172.5 Ų | 172.5 | 83% | 0.825 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 148.1 | 166.9 | -14.7 | 29.7 | 0 | 0 | 0 | 111.2 | ||
| 265 | S | 45.1 | Very low | 47 | Very low | 115 Ų | 115 | 169.3 Ų | 169.3 | 80% | 0.804 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 120.6 | 168.5 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 266 | H | 45.8 | Very low | 46.2 | Very low | 269 Ų | 269 | 163.1 Ų | 163.1 | 100% | 1.245 | 86% | 0.861 | S | S | * | * | trans | 62 | 0 | 162.4 | -106 | -58.9 | 0 | 0 | 0 | 119.8 |
Retrieved 266 of 266 residues in 330.3 ms
(Link to these results)