| 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 | T | 36.9 | Very low | 41.6 | Very low | 196 Ų | 196 | 156.2 Ų | 156.2 | 100% | 1.202 | 85% | 0.847 | S | S | * | * | 0 | 117.6 | 0 | -9.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 2 | M | 33.1 | Very low | 41.7 | Very low | 183 Ų | 183 | 154.8 Ų | 154.8 | 90% | 0.901 | 85% | 0.852 | S | S | * | * | trans | 27.9 | 108.8 | 162 | -74.4 | 168.8 | 140.1 | 0 | 0 | 121.8 | ||||
| 3 | K | 45.8 | Very low | 41.9 | Very low | 181 Ų | 181 | 153.1 Ų | 153.1 | 79% | 0.787 | 85% | 0.848 | S | S | * | * | trans | -31.8 | 128.4 | 135.4 | 178.9 | 174.2 | 174 | 174.2 | 0 | 112.6 | N5 | K3-N5 WeakPolarHBondContact CE-OD1 3.42Š| ||
| 4 | K | 51.2 | Low | 41.5 | Very low | 199 Ų | 199 | 152.2 Ų | 152.2 | 87% | 0.865 | 84% | 0.841 | S | S | * | * | trans | -128.6 | 101.6 | 164.5 | -157.2 | 171.6 | -175.2 | 177.9 | 0 | 110.5 | ||||
| 5 | N | 39.4 | Very low | 41.6 | Very low | 125 Ų | 125 | 150.8 Ų | 150.8 | 67% | 0.668 | 84% | 0.842 | S | S | * | * | trans | -65.8 | 139.3 | 164.1 | -62.7 | -8.9 | 0 | 0 | 0 | 108.8 | K3 | K3-N5 WeakPolarHBondContact CE-OD1 3.42Š| ||
| 6 | S | 41.6 | Very low | 41.7 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -124.1 | 104 | 160.3 | 36.3 | 0 | 0 | 0 | 0 | 108.9 | G8 | S6-G8 PolarHBondContact O-N 3.3Š| ||
| 7 | S | 45.6 | Very low | 41.8 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -78.1 | 100.7 | 169.5 | 37.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 8 | G | 37.7 | Very low | 41.7 | Very low | 78 Ų | 78 | 149.1 Ų | 149.1 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -93.2 | 120.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110 | S6 | S6-G8 PolarHBondContact O-N 3.3Š| ||
| 9 | K | 44.3 | Very low | 42.4 | Very low | 209 Ų | 209 | 147.5 Ų | 147.5 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -53.6 | 130.9 | -171.2 | -71.1 | 161.3 | 173.8 | 176.6 | 0 | 113.7 | G11 | K9-G11 PolarHBondContact O-N 3.09Š| ||
| 10 | R | 42.8 | Very low | 43.7 | Very low | 253 Ų | 253 | 144.3 Ų | 144.3 | 96% | 0.955 | 80% | 0.804 | S | S | * | * | trans | -61 | 110.7 | 158.7 | -87.1 | -179 | -90.2 | 178.5 | -5.7 | 108.6 | ||||
| 11 | G | 39.4 | Very low | 45.5 | Very low | 51 Ų | 51 | 141.3 Ų | 141.3 | 53% | 0.526 | 80% | 0.798 | S | S | . | * | P | Polyproline II helix | trans | -76.5 | 155.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | K9 V13 | K9-G11 PolarHBondContact O-N 3.09Å; G11-V13 PolarHBondContact O-N 3.24Å |
| 12 | P | 42.4 | Very low | 47.8 | Very low | 139 Ų | 139 | 135 Ų | 135 | 90% | 0.903 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 119 | 173.8 | -12.4 | 27.2 | 0 | 0 | 0 | 108.5 | D14 | P12-D14 PolarHBondContact O-N 3.47Š|
| 13 | V | 44.6 | Very low | 50.5 | Low | 133 Ų | 133 | 129.8 Ų | 129.8 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 118.2 | 168.3 | 164.5 | 0 | 0 | 0 | 0 | 106.9 | G11 | G11-V13 PolarHBondContact O-N 3.24Š|
| 14 | D | 35.7 | Very low | 52.8 | Low | 141 Ų | 141 | 122.8 Ų | 122.8 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 130 | 171.5 | -136.6 | -14.1 | 0 | 0 | 0 | 110.5 | P12 G16 | P12-D14 PolarHBondContact O-N 3.47Å; D14-G16 PolarHBondContact O-N 3.25Å |
| 15 | P | 43.4 | Very low | 54.9 | Low | 131 Ų | 131 | 116.5 Ų | 116.5 | 85% | 0.851 | 68% | 0.684 | S | S | * | * | trans | -81.9 | 66.1 | 175 | 34.7 | -32.5 | 0 | 0 | 0 | 109.5 | ||||
| 16 | G | 42.8 | Very low | 57.5 | Low | 55 Ų | 55 | 111 Ų | 111 | 57% | 0.567 | 66% | 0.658 | S | S | * | * | trans | -134.5 | 108.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D14 | D14-G16 PolarHBondContact O-N 3.25Š| ||
| 17 | Q | 44.3 | Very low | 60 | Low | 184 Ų | 184 | 109.3 Ų | 109.3 | 86% | 0.86 | 63% | 0.633 | S | S | * | * | trans | 66.8 | 60 | 177.4 | -68.4 | 178.3 | -68.5 | 0 | 0 | 116.5 | N19 | Q17-N19 VanDerWaalsContact C-N 3.32Å; Q17-N19 PolarHBondContact O-N 3.27Å; Q17-N19 VanDerWaalsContact O-N 3.1Å | ||
| 18 | Q | 40.2 | Very low | 62.4 | Low | 183 Ų | 183 | 103.7 Ų | 103.7 | 86% | 0.855 | 59% | 0.593 | S | S | * | * | trans | -67.9 | 103.2 | 141.8 | -67 | -174.6 | 25.4 | 0 | 0 | 106.3 | P20 | Q18-P20 WeakPolarHBondContact O-CD 3.35Å; Q18-P20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | N | 54.7 | Low | 65.1 | Low | 118 Ų | 118 | 105.7 Ų | 105.7 | 63% | 0.631 | 58% | 0.577 | S | S | * | * | trans | -64.2 | 107.3 | 162.4 | -108.7 | -42.4 | 0 | 0 | 0 | 105.3 | Q17 A21 K49 | Q17-N19 VanDerWaalsContact C-N 3.32Å; Q17-N19 PolarHBondContact O-N 3.27Å; Q17-N19 VanDerWaalsContact O-N 3.1Å; N19-A21 PolarHBondContact O-N 3.11Å; N19-K49 PolarHBondContact OD1-NZ 3.43Å | ||
| 20 | P | 68.9 | Low | 67.5 | Low | 83 Ų | 83 | 96.7 Ų | 96.7 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 140.4 | -179 | 22.9 | -30.1 | 0 | 0 | 0 | 108.3 | Q18 K49 | Q18-P20 WeakPolarHBondContact O-CD 3.35Å; Q18-P20 VanDerWaalsContact O-N 3.1Å; P20-K49 VanDerWaalsContact CG-CE 3.48Å; P20-K49 WeakPolarHBondContact O-CE 3.41Å |
| 21 | A | 80.4 | Confident | 69.9 | Low | 83 Ų | 83 | 87.5 Ų | 87.5 | 69% | 0.686 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 141.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | N19 | N19-A21 PolarHBondContact O-N 3.11Š|
| 22 | P | 86.1 | Confident | 72.2 | Confident | 62 Ų | 62 | 87.9 Ų | 87.9 | 40% | 0.403 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 141.1 | 178.3 | 27 | -33.8 | 0 | 0 | 0 | 110.6 | K24 T25 V47 L48 | P22-K24 VanDerWaalsContact C-N 3.28Å; P22-K24 PolarHBondContact O-N 3.07Å; P22-T25 HydrophobicContact CB-CG2 3.67Å; P22-T25 HydrophobicContact CG-CG2 3.5Å; P22-V47 HydrophobicContact CB-CG1 3.48Å; P22-V47 VanDerWaalsContact CB-CG1 3.48Å; P22-V47 HydrophobicContact CG-CG1 4.28Å; P22-L48 CarbonylContact C-O 3.52Å; P22-L48 WeakPolarHBondContact CA-O 3.44Å; P22-L48 WeakPolarHBondContact CB-O 3.48Å |
| 23 | D | 89.6 | Confident | 74.3 | Confident | 75 Ų | 75 | 82.3 Ų | 82.3 | 40% | 0.401 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -64 | -37.9 | 179.8 | -64.7 | -52.1 | 0 | 0 | 0 | 111.1 | L48 G50 R133 | D23-L48 HydrophobicContact CB-CD2 4.23Å; D23-L48 HydrophobicContact CB-CG 4.15Å; D23-L48 PolarHBondContact N-O 3.24Å; D23-G50 PolarHBondContact OD2-N 2.93Å; D23-R133 IonicContact OD2-NH1 3.42Å |
| 24 | K | 93.9 | Very high | 76.2 | Confident | 33 Ų | 33 | 84.3 Ų | 84.3 | 14% | 0.143 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 143 | 174.6 | -169.4 | 173.5 | 179.7 | 179.8 | 0 | 111.2 | P22 L48 S122 W123 I126 | P22-K24 VanDerWaalsContact C-N 3.28Å; P22-K24 PolarHBondContact O-N 3.07Å; K24-L48 HydrophobicContact CB-CB 4.45Å; K24-L48 PolarHBondContact N-O 2.83Å; K24-L48 PolarHBondContact O-N 2.93Å; K24-S122 VanDerWaalsContact NZ-C 3.29Å; K24-S122 PolarHBondContact NZ-OG 3Å; K24-W123 HydrophobicContact CB-CH2 4.2Å; K24-W123 HydrophobicContact CB-CZ3 4.15Å; K24-W123 HydrophobicContact CD-CD2 3.79Å; K24-W123 HydrophobicContact CD-CE3 3.82Å; K24-W123 HydrophobicContact CD-CG 4.43Å; K24-W123 HydrophobicContact CD-CH2 4.08Å; K24-W123 HydrophobicContact CD-CZ2 4.04Å; K24-W123 HydrophobicContact CD-CZ3 3.97Å; K24-W123 VanDerWaalsContact CE-CE2 3.46Å; K24-W123 HydrophobicContact CG-CE3 4.39Å; K24-W123 HydrophobicContact CG-CH2 3.81Å; K24-W123 HydrophobicContact CG-CZ2 3.96Å; K24-W123 HydrophobicContact CG-CZ3 4.03Å; K24-W123 VanDerWaalsContact NZ-N 3.17Å; K24-I126 HydrophobicContact CB-CG1 4.48Å; K24-I126 HydrophobicContact CB-CG2 4.23Å; K24-I126 HydrophobicContact CD-CG2 3.73Å |
| 25 | T | 94.4 | Very high | 78.2 | Confident | 67 Ų | 67 | 78.8 Ų | 78.8 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149.1 | 173.1 | 60.1 | 0 | 0 | 0 | 0 | 111.1 | P22 F45 V46 V47 | P22-T25 HydrophobicContact CB-CG2 3.67Å; P22-T25 HydrophobicContact CG-CG2 3.5Å; T25-F45 HydrophobicContact CG2-CZ 4.46Å; T25-V46 CarbonylContact C-O 3.56Å; T25-V46 VanDerWaalsContact CA-O 3.27Å; T25-V46 WeakPolarHBondContact CA-O 3.42Å; T25-V47 HydrophobicContact CG2-CB 4.06Å; T25-V47 HydrophobicContact CG2-CG1 3.68Å; T25-V47 HydrophobicContact CG2-CG2 3.76Å |
| 26 | G | 94.1 | Very high | 79.7 | Confident | 11 Ų | 11 | 80.1 Ų | 80.1 | 11% | 0.113 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | 168.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V46 | G26-V46 PolarHBondContact N-O 3.29Å; G26-V46 PolarHBondContact O-N 2.93Å |
| 27 | W | 94.7 | Very high | 81.1 | Confident | 84 Ų | 84 | 86.5 Ų | 86.5 | 32% | 0.318 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 123.6 | 177.3 | -73.4 | 97.2 | 0 | 0 | 0 | 110.8 | N43 F45 E59 | W27-N43 VanDerWaalsContact CE3-ND2 3.32Å; W27-F45 AromaticContact CD1-CD2 3.92Å; W27-F45 HydrophobicContact CD2-CB 4.24Å; W27-F45 HydrophobicContact CD2-CD2 4.01Å; W27-F45 AromaticContact CE2-CD2 3.79Å; W27-F45 HydrophobicContact CE3-CB 4.1Å; W27-F45 HydrophobicContact CG-CD2 4.13Å; W27-F45 HydrophobicContact CH2-CB 4.16Å; W27-F45 HydrophobicContact CZ2-CB 4.28Å; W27-F45 HydrophobicContact CZ2-CD2 4.34Å; W27-F45 HydrophobicContact CZ3-CB 4.06Å; W27-F45 AromaticContact NE1-CD2 3.69Å; W27-E59 HydrophobicContact CZ2-CB 3.91Å |
| 28 | I | 95.1 | Very high | 83 | Confident | 4 Ų | 4 | 87.7 Ų | 87.7 | 2% | 0.021 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 142.9 | 178.2 | -48.9 | 177.8 | 0 | 0 | 0 | 109.2 | K30 N43 R44 V46 F95 F112 L113 W123 | I28-K30 PolarHBondContact O-N 3.47Å; I28-N43 PolarHBondContact O-OD1 3.35Å; I28-R44 PolarHBondContact N-O 3.35Å; I28-R44 PolarHBondContact O-N 3.14Å; I28-R44 VanDerWaalsContact O-O 3.05Å; I28-V46 HydrophobicContact CB-CG2 4.06Å; I28-V46 HydrophobicContact CD1-CB 4Å; I28-V46 HydrophobicContact CD1-CG1 4.34Å; I28-V46 HydrophobicContact CD1-CG2 3.93Å; I28-V46 HydrophobicContact CG1-CB 4.37Å; I28-V46 HydrophobicContact CG1-CG2 4.1Å; I28-F95 HydrophobicContact CD1-CZ 4.2Å; I28-F95 HydrophobicContact CG2-CE1 4.28Å; I28-F95 HydrophobicContact CG2-CZ 4.33Å; I28-F112 HydrophobicContact CG2-CB 3.77Å; I28-F112 HydrophobicContact CG2-CD1 3.99Å; I28-F112 HydrophobicContact CG2-CG 4.23Å; I28-L113 WeakPolarHBondContact CG2-O 3.41Å; I28-W123 HydrophobicContact CD1-CD2 3.53Å; I28-W123 HydrophobicContact CD1-CE3 4.09Å; I28-W123 HydrophobicContact CD1-CG 3.89Å; I28-W123 HydrophobicContact CD1-CH2 4.19Å; I28-W123 HydrophobicContact CD1-CZ2 3.65Å; I28-W123 HydrophobicContact CD1-CZ3 4.38Å; I28-W123 HydrophobicContact CG1-CZ2 4.16Å |
| 29 | R | 94.4 | Very high | 85.3 | Confident | 121 Ų | 121 | 83.4 Ų | 83.4 | 46% | 0.457 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 116.5 | 170.6 | -76.4 | -179.2 | -85.7 | -173.1 | -8.4 | 109.9 | W41 K42 F112 L113 | R29-W41 HydrophobicContact CB-CE3 4.1Å; R29-W41 WeakPolarHBondContact O-CZ3 3.5Å; R29-K42 CarbonylContact C-O 3.53Å; R29-K42 WeakPolarHBondContact CA-O 3.43Å; R29-F112 CarbonylContact O-C 3.53Å; R29-F112 WeakPolarHBondContact O-CA 3.4Å; R29-L113 HydrophobicContact CB-CB 4.07Å; R29-L113 PolarHBondContact N-O 3.12Å; R29-L113 PolarHBondContact O-N 3.13Å |
| 30 | K | 94.7 | Very high | 86.9 | Confident | 19 Ų | 19 | 81.2 Ų | 81.2 | 8% | 0.083 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135.7 | 174.4 | -169.1 | -170.6 | -168.9 | -140.6 | 0 | 110.5 | I28 W41 K42 R44 I55 E68 Q110 F112 | I28-K30 PolarHBondContact O-N 3.47Å; K30-W41 WeakPolarHBondContact O-CA 3.27Å; K30-K42 PolarHBondContact N-O 2.98Å; K30-K42 PolarHBondContact O-N 2.88Å; K30-R44 HydrophobicContact CB-CG 4.12Å; K30-I55 HydrophobicContact CD-CD1 4.03Å; K30-I55 HydrophobicContact CD-CG2 4.39Å; K30-E68 IonicContact NZ-OE1 2.79Å; K30-E68 PolarHBondContact NZ-OE1 3.21Å; K30-E68 IonicContact NZ-OE2 2.83Å; K30-E68 PolarHBondContact NZ-OE2 3.01Å; K30-Q110 VanDerWaalsContact NZ-OE1 3.13Å; K30-F112 HydrophobicContact CB-CD1 4.15Å; K30-F112 HydrophobicContact CB-CE1 4.08Å; K30-F112 HydrophobicContact CD-CE1 4.31Å; K30-F112 HydrophobicContact CG-CD1 4.12Å; K30-F112 HydrophobicContact CG-CE1 3.72Å |
| 31 | F | 93.1 | Very high | 88 | Confident | 61 Ų | 61 | 80.4 Ų | 80.4 | 27% | 0.268 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 124.9 | 170.6 | -179.2 | -106.8 | 0 | 0 | 0 | 110.4 | G33 E39 W41 V111 | F31-G33 WeakPolarHBondContact CE2-O 3.22Å; F31-G33 VanDerWaalsContact CZ-CA 3.5Å; F31-G33 WeakPolarHBondContact CZ-O 3.46Å; F31-E39 HydrophobicContact CD2-CB 4.45Å; F31-E39 HydrophobicContact CE2-CB 3.85Å; F31-E39 HydrophobicContact CE2-CG 3.86Å; F31-W41 HydrophobicContact CB-CD2 4.3Å; F31-W41 HydrophobicContact CB-CE3 4.01Å; F31-W41 HydrophobicContact CB-CH2 3.98Å; F31-W41 HydrophobicContact CB-CZ2 4.19Å; F31-W41 HydrophobicContact CB-CZ3 3.84Å; F31-W41 HydrophobicContact CD2-CD2 4.25Å; F31-W41 AromaticContact CD2-CE2 3.76Å; F31-W41 AromaticContact CD2-CZ2 3.94Å; F31-W41 HydrophobicContact CD2-CZ2 3.94Å; F31-W41 AromaticContact CD2-NE1 3.89Å; F31-W41 HydrophobicContact CG-CZ2 4.45Å; F31-V111 HydrophobicContact CB-CB 3.86Å; F31-V111 HydrophobicContact CB-CG1 4.23Å; F31-V111 WeakPolarHBondContact CB-O 3.39Å; F31-V111 HydrophobicContact CG-CB 4.45Å; F31-V111 PolarHBondContact N-O 2.89Å |
| 32 | C | 88.4 | Confident | 88.6 | Confident | 58 Ų | 58 | 81.2 Ų | 81.2 | 39% | 0.392 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 11.9 | -178.5 | -61 | 0 | 0 | 0 | 0 | 113.1 | I40 | C32-I40 HydrophobicContact CB-CB 4.45Å; C32-I40 HydrophobicContact CB-CG2 4.08Å; C32-I40 PolarHBondContact N-O 3.33Å |
| 33 | G | 86.7 | Confident | 89 | Confident | 23 Ų | 23 | 82.4 Ų | 82.4 | 24% | 0.237 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 114.2 | -174.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F31 I40 | F31-G33 WeakPolarHBondContact CE2-O 3.22Å; F31-G33 VanDerWaalsContact CZ-CA 3.5Å; F31-G33 WeakPolarHBondContact CZ-O 3.46Å; G33-I40 PolarHBondContact O-N 3.26Å |
| 34 | K | 85.4 | Confident | 89.3 | Confident | 174 Ų | 174 | 80.4 Ų | 80.4 | 76% | 0.757 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 112.4 | -178.6 | -157.7 | 164.1 | -178.9 | 179.3 | 0 | 108.1 | ||
| 35 | G | 77.6 | Confident | 89.3 | Confident | 26 Ų | 26 | 79.4 Ų | 79.4 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | trans | -74.7 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F37 R38 | G35-F37 PolarHBondContact O-N 3.36Å; G35-F37 VanDerWaalsContact O-N 3.11Å; G35-R38 WeakPolarHBondContact CA-O 3.46Å; G35-R38 PolarHBondContact N-O 2.89Å | ||
| 36 | I | 75.1 | Confident | 89.3 | Confident | 159 Ų | 159 | 76.3 Ų | 76.3 | 82% | 0.815 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -56.5 | -32.4 | -175.6 | -56.5 | 169.6 | 0 | 0 | 0 | 111.9 | ||
| 37 | F | 71.5 | Confident | 89.3 | Confident | 189 Ų | 189 | 76 Ų | 76 | 83% | 0.829 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -119.6 | -20.6 | -176.7 | -60.9 | -74.6 | 0 | 0 | 0 | 115 | G35 | G35-F37 PolarHBondContact O-N 3.36Å; G35-F37 VanDerWaalsContact O-N 3.11Å |
| 38 | R | 84.3 | Confident | 89.3 | Confident | 208 Ų | 208 | 72 Ų | 72 | 79% | 0.785 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -155.8 | 161.4 | -174.5 | -63.6 | -171.7 | 179.3 | -137.5 | -3.1 | 112.5 | G35 | G35-R38 WeakPolarHBondContact CA-O 3.46Å; G35-R38 PolarHBondContact N-O 2.89Å |
| 39 | E | 87.3 | Confident | 89.2 | Confident | 93 Ų | 93 | 73.6 Ų | 73.6 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 134.2 | 165.5 | -69.5 | -175.4 | -179.8 | 0 | 0 | 110.7 | F31 W41 | F31-E39 HydrophobicContact CD2-CB 4.45Å; F31-E39 HydrophobicContact CE2-CB 3.85Å; F31-E39 HydrophobicContact CE2-CG 3.86Å; E39-W41 PolarHBondContact OE2-NE1 2.85Å |
| 40 | I | 89.4 | Confident | 89 | Confident | 73 Ų | 73 | 69.2 Ų | 69.2 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.6 | 179.3 | -57.6 | 171.3 | 0 | 0 | 0 | 108.3 | C32 G33 K42 | C32-I40 HydrophobicContact CB-CB 4.45Å; C32-I40 HydrophobicContact CB-CG2 4.08Å; C32-I40 PolarHBondContact N-O 3.33Å; G33-I40 PolarHBondContact O-N 3.26Å; I40-K42 HydrophobicContact CG2-CG 4.49Å |
| 41 | W | 92.3 | Very high | 88.9 | Confident | 66 Ų | 66 | 70 Ų | 70 | 25% | 0.25 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123.5 | 176.8 | -69.6 | 87.3 | 0 | 0 | 0 | 108.9 | R29 K30 F31 E39 K94 V111 L113 | R29-W41 HydrophobicContact CB-CE3 4.1Å; R29-W41 WeakPolarHBondContact O-CZ3 3.5Å; K30-W41 WeakPolarHBondContact O-CA 3.27Å; F31-W41 HydrophobicContact CB-CD2 4.3Å; F31-W41 HydrophobicContact CB-CE3 4.01Å; F31-W41 HydrophobicContact CB-CH2 3.98Å; F31-W41 HydrophobicContact CB-CZ2 4.19Å; F31-W41 HydrophobicContact CB-CZ3 3.84Å; F31-W41 HydrophobicContact CD2-CD2 4.25Å; F31-W41 AromaticContact CD2-CE2 3.76Å; F31-W41 AromaticContact CD2-CZ2 3.94Å; F31-W41 HydrophobicContact CD2-CZ2 3.94Å; F31-W41 AromaticContact CD2-NE1 3.89Å; F31-W41 HydrophobicContact CG-CZ2 4.45Å; E39-W41 PolarHBondContact OE2-NE1 2.85Å; W41-K94 HydrophobicContact CH2-CD 4.33Å; W41-K94 HydrophobicContact CH2-CG 4.34Å; W41-V111 HydrophobicContact CH2-CG1 3.69Å; W41-V111 HydrophobicContact CZ2-CG1 4.44Å; W41-V111 HydrophobicContact CZ3-CG1 4.39Å; W41-L113 HydrophobicContact CE3-CB 4.12Å; W41-L113 HydrophobicContact CH2-CB 4.02Å; W41-L113 HydrophobicContact CZ3-CB 3.6Å |
| 42 | K | 93.4 | Very high | 88.9 | Confident | 100 Ų | 100 | 71.3 Ų | 71.3 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138 | 176.6 | -67.1 | -171.4 | 178 | -174.7 | 0 | 109.8 | R29 K30 I40 | R29-K42 CarbonylContact C-O 3.53Å; R29-K42 WeakPolarHBondContact CA-O 3.43Å; K30-K42 PolarHBondContact N-O 2.98Å; K30-K42 PolarHBondContact O-N 2.88Å; I40-K42 HydrophobicContact CG2-CG 4.49Å |
| 43 | N | 94.3 | Very high | 89.2 | Confident | 87 Ų | 87 | 68.6 Ų | 68.6 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 128 | 170.5 | -163 | 21.1 | 0 | 0 | 0 | 108.5 | W27 I28 | W27-N43 VanDerWaalsContact CE3-ND2 3.32Å; I28-N43 PolarHBondContact O-OD1 3.35Å |
| 44 | R | 94.7 | Very high | 89.5 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 13% | 0.125 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.2 | 179.7 | -62.2 | -65.9 | -170.2 | -170.9 | 3.5 | 108.9 | I28 K30 I55 C56 E57 D67 | I28-R44 PolarHBondContact N-O 3.35Å; I28-R44 PolarHBondContact O-N 3.14Å; I28-R44 VanDerWaalsContact O-O 3.05Å; K30-R44 HydrophobicContact CB-CG 4.12Å; R44-I55 HydrophobicContact CB-CG2 3.5Å; R44-I55 HydrophobicContact CG-CG2 3.68Å; R44-C56 CarbonylContact C-O 3.46Å; R44-C56 VanDerWaalsContact CA-O 3.27Å; R44-C56 WeakPolarHBondContact CA-O 3.35Å; R44-C56 WeakPolarHBondContact CB-O 3.38Å; R44-E57 IonicContact CZ-OE2 3.52Å; R44-E57 VanDerWaalsContact NH1-CG 3.27Å; R44-E57 IonicContact NH1-OE2 3.09Å; R44-E57 PolarHBondContact NH1-OE2 2.95Å; R44-E57 IonicContact NH2-OE2 3.28Å; R44-D67 IonicContact NH1-OD2 2.73Å |
| 45 | F | 94.1 | Very high | 90 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 121.4 | 169.6 | -171.1 | -106.3 | 0 | 0 | 0 | 108.4 | T25 W27 V47 C56 K58 E59 | T25-F45 HydrophobicContact CG2-CZ 4.46Å; W27-F45 AromaticContact CD1-CD2 3.92Å; W27-F45 HydrophobicContact CD2-CB 4.24Å; W27-F45 HydrophobicContact CD2-CD2 4.01Å; W27-F45 AromaticContact CE2-CD2 3.79Å; W27-F45 HydrophobicContact CE3-CB 4.1Å; W27-F45 HydrophobicContact CG-CD2 4.13Å; W27-F45 HydrophobicContact CH2-CB 4.16Å; W27-F45 HydrophobicContact CZ2-CB 4.28Å; W27-F45 HydrophobicContact CZ2-CD2 4.34Å; W27-F45 HydrophobicContact CZ3-CB 4.06Å; W27-F45 AromaticContact NE1-CD2 3.69Å; F45-V47 HydrophobicContact CD1-CG2 3.7Å; F45-V47 HydrophobicContact CE1-CG2 3.37Å; F45-V47 HydrophobicContact CZ-CG2 4.35Å; F45-C56 HydrophobicContact CB-CB 4.4Å; F45-C56 PolarHBondContact N-O 3.44Å; F45-C56 PolarHBondContact O-N 3.12Å; F45-K58 WeakPolarHBondContact CB-O 3.22Å; F45-E59 HydrophobicContact CD1-CG 4.42Å; F45-E59 HydrophobicContact CD2-CB 4.2Å; F45-E59 HydrophobicContact CD2-CG 4.14Å; F45-E59 HydrophobicContact CE1-CG 4.1Å; F45-E59 HydrophobicContact CE2-CB 4.37Å; F45-E59 HydrophobicContact CE2-CG 3.81Å; F45-E59 HydrophobicContact CG-CB 4.28Å; F45-E59 HydrophobicContact CG-CG 4.43Å; F45-E59 HydrophobicContact CZ-CG 3.78Å |
| 46 | V | 94.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.7 | -175.3 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | T25 G26 I28 L53 F54 I55 W123 | T25-V46 CarbonylContact C-O 3.56Å; T25-V46 VanDerWaalsContact CA-O 3.27Å; T25-V46 WeakPolarHBondContact CA-O 3.42Å; G26-V46 PolarHBondContact N-O 3.29Å; G26-V46 PolarHBondContact O-N 2.93Å; I28-V46 HydrophobicContact CB-CG2 4.06Å; I28-V46 HydrophobicContact CD1-CB 4Å; I28-V46 HydrophobicContact CD1-CG1 4.34Å; I28-V46 HydrophobicContact CD1-CG2 3.93Å; I28-V46 HydrophobicContact CG1-CB 4.37Å; I28-V46 HydrophobicContact CG1-CG2 4.1Å; V46-L53 HydrophobicContact CG1-CD1 3.36Å; V46-L53 HydrophobicContact CG1-CD2 4.31Å; V46-L53 HydrophobicContact CG1-CG 3.86Å; V46-F54 CarbonylContact C-O 3.56Å; V46-F54 VanDerWaalsContact CA-O 3.3Å; V46-F54 WeakPolarHBondContact CA-O 3.45Å; V46-I55 HydrophobicContact CG2-CG1 4.41Å; V46-W123 HydrophobicContact CB-CH2 4.13Å; V46-W123 HydrophobicContact CG1-CH2 4Å; V46-W123 HydrophobicContact CG1-CZ3 4.1Å |
| 47 | V | 94.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 119.2 | 177.9 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | P22 T25 F45 F54 L63 | P22-V47 HydrophobicContact CB-CG1 3.48Å; P22-V47 VanDerWaalsContact CB-CG1 3.48Å; P22-V47 HydrophobicContact CG-CG1 4.28Å; T25-V47 HydrophobicContact CG2-CB 4.06Å; T25-V47 HydrophobicContact CG2-CG1 3.68Å; T25-V47 HydrophobicContact CG2-CG2 3.76Å; F45-V47 HydrophobicContact CD1-CG2 3.7Å; F45-V47 HydrophobicContact CE1-CG2 3.37Å; F45-V47 HydrophobicContact CZ-CG2 4.35Å; V47-F54 HydrophobicContact CB-CB 4.27Å; V47-F54 PolarHBondContact N-O 2.92Å; V47-F54 WeakPolarHBondContact O-CD2 3.28Å; V47-F54 PolarHBondContact O-N 3.43Å; V47-L63 HydrophobicContact CB-CD2 3.9Å; V47-L63 HydrophobicContact CG1-CD2 3.63Å; V47-L63 HydrophobicContact CG2-CD2 4.31Å |
| 48 | L | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.8 | 170.9 | 177.2 | 63.4 | 0 | 0 | 0 | 108.9 | P22 D23 K24 L53 L72 W123 I126 L127 A130 | P22-L48 CarbonylContact C-O 3.52Å; P22-L48 WeakPolarHBondContact CA-O 3.44Å; P22-L48 WeakPolarHBondContact CB-O 3.48Å; D23-L48 HydrophobicContact CB-CD2 4.23Å; D23-L48 HydrophobicContact CB-CG 4.15Å; D23-L48 PolarHBondContact N-O 3.24Å; K24-L48 HydrophobicContact CB-CB 4.45Å; K24-L48 PolarHBondContact N-O 2.83Å; K24-L48 PolarHBondContact O-N 2.93Å; L48-L53 HydrophobicContact CB-CD1 3.95Å; L48-L53 HydrophobicContact CD1-CD1 4.17Å; L48-L72 HydrophobicContact CD1-CD1 3.56Å; L48-W123 HydrophobicContact CB-CZ3 4.35Å; L48-I126 HydrophobicContact CD2-CB 4.16Å; L48-I126 HydrophobicContact CD2-CG1 3.55Å; L48-I126 HydrophobicContact CD2-CG2 3.7Å; L48-L127 HydrophobicContact CD1-CD2 4.29Å; L48-L127 HydrophobicContact CD2-CD2 4.39Å; L48-A130 HydrophobicContact CD1-CB 4.08Å; L48-A130 HydrophobicContact CD2-CB 4.17Å |
| 49 | K | 92.6 | Very high | 92.1 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 111.6 | 175.3 | -178.5 | -177.9 | 175.7 | -167.7 | 0 | 110.2 | N19 P20 D51 Q52 F54 L63 | N19-K49 PolarHBondContact OD1-NZ 3.43Å; P20-K49 VanDerWaalsContact CG-CE 3.48Å; P20-K49 WeakPolarHBondContact O-CE 3.41Å; K49-D51 PolarHBondContact O-N 3.35Å; K49-Q52 PolarHBondContact N-O 3.11Å; K49-Q52 PolarHBondContact O-N 2.77Å; K49-F54 HydrophobicContact CB-CE2 4.18Å; K49-L63 HydrophobicContact CB-CD1 4.36Å; K49-L63 HydrophobicContact CD-CD1 3.26Å; K49-L63 HydrophobicContact CG-CD1 4.46Å |
| 50 | G | 90 | Very high | 91.4 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -118.6 | -176 | 0 | 0 | 0 | 0 | 0 | 109.9 | D23 | D23-G50 PolarHBondContact OD2-N 2.93Š|
| 51 | D | 92.8 | Very high | 90.3 | Very high | 36 Ų | 36 | 55.6 Ų | 55.6 | 19% | 0.193 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 5.8 | -175.7 | -56.2 | -21.9 | 0 | 0 | 0 | 112.5 | K49 L72 A134 | K49-D51 PolarHBondContact O-N 3.35Å; D51-L72 WeakPolarHBondContact O-CB 3.44Å; D51-L72 VanDerWaalsContact O-CG 3.24Å; D51-L72 WeakPolarHBondContact O-CG 3.4Å; D51-L72 PolarHBondContact O-N 3.44Å; D51-A134 HydrophobicContact CB-CB 3.73Å |
| 52 | Q | 93.8 | Very high | 89.1 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 41% | 0.407 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.8 | -177.7 | -65.8 | 179.7 | 4 | 0 | 0 | 111.7 | K49 F54 V69 L70 | K49-Q52 PolarHBondContact N-O 3.11Å; K49-Q52 PolarHBondContact O-N 2.77Å; Q52-F54 HydrophobicContact CB-CD2 4.46Å; Q52-F54 HydrophobicContact CB-CE2 3.69Å; Q52-F54 HydrophobicContact CB-CZ 3.97Å; Q52-F54 VanDerWaalsContact OE1-CZ 3.24Å; Q52-V69 HydrophobicContact CB-CG1 4.45Å; Q52-L70 WeakPolarHBondContact CA-O 3.23Å |
| 53 | L | 95.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 114.1 | 175.9 | -173.5 | 71.6 | 0 | 0 | 0 | 110 | V46 L48 L70 L72 L97 W123 L127 | V46-L53 HydrophobicContact CG1-CD1 3.36Å; V46-L53 HydrophobicContact CG1-CD2 4.31Å; V46-L53 HydrophobicContact CG1-CG 3.86Å; L48-L53 HydrophobicContact CB-CD1 3.95Å; L48-L53 HydrophobicContact CD1-CD1 4.17Å; L53-L70 HydrophobicContact CB-CB 4.2Å; L53-L70 HydrophobicContact CD2-CD1 4.29Å; L53-L70 PolarHBondContact N-O 3.15Å; L53-L70 PolarHBondContact O-N 3.1Å; L53-L72 HydrophobicContact CB-CD2 4.17Å; L53-L97 HydrophobicContact CD2-CD2 4.43Å; L53-W123 HydrophobicContact CD1-CZ3 4.47Å; L53-L127 HydrophobicContact CD1-CD2 3.91Å; L53-L127 HydrophobicContact CD2-CD2 3.97Å; L53-L127 HydrophobicContact CG-CD2 4.47Å |
| 54 | F | 93.7 | Very high | 86.5 | Confident | 19 Ų | 19 | 55 Ų | 55 | 8% | 0.083 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 135.6 | -179.8 | -58.5 | -96.4 | 0 | 0 | 0 | 110.1 | V46 V47 K49 Q52 L63 A66 V69 | V46-F54 CarbonylContact C-O 3.56Å; V46-F54 VanDerWaalsContact CA-O 3.3Å; V46-F54 WeakPolarHBondContact CA-O 3.45Å; V47-F54 HydrophobicContact CB-CB 4.27Å; V47-F54 PolarHBondContact N-O 2.92Å; V47-F54 WeakPolarHBondContact O-CD2 3.28Å; V47-F54 PolarHBondContact O-N 3.43Å; K49-F54 HydrophobicContact CB-CE2 4.18Å; Q52-F54 HydrophobicContact CB-CD2 4.46Å; Q52-F54 HydrophobicContact CB-CE2 3.69Å; Q52-F54 HydrophobicContact CB-CZ 3.97Å; Q52-F54 VanDerWaalsContact OE1-CZ 3.24Å; F54-L63 HydrophobicContact CB-CD2 4.09Å; F54-L63 HydrophobicContact CD1-CB 4.19Å; F54-L63 HydrophobicContact CD1-CD2 4.24Å; F54-L63 HydrophobicContact CD2-CD1 4.32Å; F54-L63 HydrophobicContact CD2-CD2 3.84Å; F54-L63 HydrophobicContact CE1-CB 4.1Å; F54-L63 HydrophobicContact CE2-CD1 4.03Å; F54-L63 HydrophobicContact CE2-CD2 4.36Å; F54-L63 HydrophobicContact CG-CD2 3.79Å; F54-L63 HydrophobicContact CZ-CB 4.39Å; F54-L63 HydrophobicContact CZ-CD1 4.26Å; F54-A66 HydrophobicContact CB-CB 4.05Å; F54-A66 HydrophobicContact CD1-CB 3.73Å; F54-A66 HydrophobicContact CG-CB 4.39Å; F54-V69 HydrophobicContact CD1-CB 4.42Å; F54-V69 HydrophobicContact CD1-CG1 4.05Å; F54-V69 HydrophobicContact CD1-CG2 3.68Å; F54-V69 HydrophobicContact CE1-CB 4.5Å; F54-V69 HydrophobicContact CE1-CG1 3.8Å; F54-V69 HydrophobicContact CE1-CG2 3.87Å; F54-V69 HydrophobicContact CZ-CG1 4.29Å |
| 55 | I | 93.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.3 | 178.3 | -55.9 | -179.7 | 0 | 0 | 0 | 108.3 | K30 R44 V46 D67 E68 L70 F112 | K30-I55 HydrophobicContact CD-CD1 4.03Å; K30-I55 HydrophobicContact CD-CG2 4.39Å; R44-I55 HydrophobicContact CB-CG2 3.5Å; R44-I55 HydrophobicContact CG-CG2 3.68Å; V46-I55 HydrophobicContact CG2-CG1 4.41Å; I55-D67 PolarHBondContact O-N 3.39Å; I55-E68 HydrophobicContact CB-CB 4.21Å; I55-E68 PolarHBondContact N-O 3.17Å; I55-E68 PolarHBondContact O-N 2.91Å; I55-E68 VanDerWaalsContact O-N 3.15Å; I55-L70 HydrophobicContact CD1-CD1 3.76Å; I55-L70 HydrophobicContact CD1-CG 4.41Å; I55-F112 HydrophobicContact CD1-CE1 4.12Å; I55-F112 HydrophobicContact CD1-CZ 4.05Å |
| 56 | C | 91.6 | Very high | 84.8 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 150.1 | -174.9 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | R44 F45 K58 V60 D67 | R44-C56 CarbonylContact C-O 3.46Å; R44-C56 VanDerWaalsContact CA-O 3.27Å; R44-C56 WeakPolarHBondContact CA-O 3.35Å; R44-C56 WeakPolarHBondContact CB-O 3.38Å; F45-C56 HydrophobicContact CB-CB 4.4Å; F45-C56 PolarHBondContact N-O 3.44Å; F45-C56 PolarHBondContact O-N 3.12Å; C56-K58 VanDerWaalsContact CB-O 3.28Å; C56-K58 WeakPolarHBondContact CB-O 3.44Å; C56-V60 HydrophobicContact CB-CG2 3.93Å; C56-D67 WeakPolarHBondContact CA-OD2 3.35Å |
| 57 | E | 90.6 | Very high | 84.3 | Confident | 113 Ų | 113 | 67.4 Ų | 67.4 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -72.3 | -36 | 173.1 | -169.7 | 155.1 | 145.7 | 0 | 0 | 112.7 | R44 D67 | R44-E57 IonicContact CZ-OE2 3.52Å; R44-E57 VanDerWaalsContact NH1-CG 3.27Å; R44-E57 IonicContact NH1-OE2 3.09Å; R44-E57 PolarHBondContact NH1-OE2 2.95Å; R44-E57 IonicContact NH2-OE2 3.28Å; E57-D67 WeakPolarHBondContact CB-OD2 3.41Å; E57-D67 PolarHBondContact N-OD2 3.37Å |
| 58 | K | 86 | Confident | 84.1 | Confident | 152 Ų | 152 | 70 Ų | 70 | 66% | 0.661 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -112.8 | 162.4 | -179 | -63.4 | -179.5 | -177.7 | 177.4 | 0 | 109.5 | F45 C56 V60 | F45-K58 WeakPolarHBondContact CB-O 3.22Å; C56-K58 VanDerWaalsContact CB-O 3.28Å; C56-K58 WeakPolarHBondContact CB-O 3.44Å; K58-V60 HydrophobicContact CB-CG2 4.42Å; K58-V60 VanDerWaalsContact O-CG2 3.25Å; K58-V60 WeakPolarHBondContact O-CG2 3.47Å; K58-V60 PolarHBondContact O-N 2.99Å |
| 59 | E | 84.6 | Confident | 84.1 | Confident | 136 Ų | 136 | 73.7 Ų | 73.7 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | trans | -68.1 | 116.6 | 166.8 | -177.2 | 165.4 | -173.4 | 0 | 0 | 108.5 | W27 F45 | W27-E59 HydrophobicContact CZ2-CB 3.91Å; F45-E59 HydrophobicContact CD1-CG 4.42Å; F45-E59 HydrophobicContact CD2-CB 4.2Å; F45-E59 HydrophobicContact CD2-CG 4.14Å; F45-E59 HydrophobicContact CE1-CG 4.1Å; F45-E59 HydrophobicContact CE2-CB 4.37Å; F45-E59 HydrophobicContact CE2-CG 3.81Å; F45-E59 HydrophobicContact CG-CB 4.28Å; F45-E59 HydrophobicContact CG-CG 4.43Å; F45-E59 HydrophobicContact CZ-CG 3.78Å | ||
| 60 | V | 74.1 | Confident | 84.1 | Confident | 31 Ų | 31 | 72.4 Ų | 72.4 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | trans | -125.9 | 129.2 | -175.7 | -159.2 | 0 | 0 | 0 | 0 | 109.1 | C56 K58 E62 R65 | C56-V60 HydrophobicContact CB-CG2 3.93Å; K58-V60 HydrophobicContact CB-CG2 4.42Å; K58-V60 VanDerWaalsContact O-CG2 3.25Å; K58-V60 WeakPolarHBondContact O-CG2 3.47Å; K58-V60 PolarHBondContact O-N 2.99Å; V60-E62 HydrophobicContact CG1-CB 4.33Å; V60-E62 WeakPolarHBondContact CG1-O 3.49Å; V60-R65 HydrophobicContact CG1-CB 4.49Å | ||
| 61 | K | 65.6 | Low | 84.3 | Confident | 218 Ų | 218 | 74.1 Ų | 74.1 | 95% | 0.948 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -80.4 | -25.4 | 170.6 | -80.3 | -177.7 | 174.6 | 179.2 | 0 | 112.8 | ||
| 62 | E | 66.1 | Low | 84.4 | Confident | 122 Ų | 122 | 72.4 Ų | 72.4 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | trans | -99.9 | 114.4 | 178.6 | -70.8 | 175.2 | 179.1 | 0 | 0 | 111.4 | V60 G64 R65 | V60-E62 HydrophobicContact CG1-CB 4.33Å; V60-E62 WeakPolarHBondContact CG1-O 3.49Å; E62-G64 PolarHBondContact O-N 3Å; E62-R65 IonicContact OE2-NH2 2.77Å | ||
| 63 | L | 69.8 | Low | 84.3 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 19% | 0.194 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -68.7 | -13.2 | -177.8 | -62.8 | 170.8 | 0 | 0 | 0 | 114.2 | V47 K49 F54 R65 A66 | V47-L63 HydrophobicContact CB-CD2 3.9Å; V47-L63 HydrophobicContact CG1-CD2 3.63Å; V47-L63 HydrophobicContact CG2-CD2 4.31Å; K49-L63 HydrophobicContact CB-CD1 4.36Å; K49-L63 HydrophobicContact CD-CD1 3.26Å; K49-L63 HydrophobicContact CG-CD1 4.46Å; F54-L63 HydrophobicContact CB-CD2 4.09Å; F54-L63 HydrophobicContact CD1-CB 4.19Å; F54-L63 HydrophobicContact CD1-CD2 4.24Å; F54-L63 HydrophobicContact CD2-CD1 4.32Å; F54-L63 HydrophobicContact CD2-CD2 3.84Å; F54-L63 HydrophobicContact CE1-CB 4.1Å; F54-L63 HydrophobicContact CE2-CD1 4.03Å; F54-L63 HydrophobicContact CE2-CD2 4.36Å; F54-L63 HydrophobicContact CG-CD2 3.79Å; F54-L63 HydrophobicContact CZ-CB 4.39Å; F54-L63 HydrophobicContact CZ-CD1 4.26Å; L63-R65 PolarHBondContact O-N 2.84Å; L63-A66 PolarHBondContact O-N 3.48Å |
| 64 | G | 65.3 | Low | 84.2 | Confident | 81 Ų | 81 | 73.2 Ų | 73.2 | 84% | 0.835 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -68.7 | -8.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E62 | E62-G64 PolarHBondContact O-N 3Š|
| 65 | R | 70.8 | Confident | 84.2 | Confident | 180 Ų | 180 | 72.3 Ų | 72.3 | 68% | 0.679 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -111.7 | 23.6 | 176.1 | -51.2 | -165.7 | -153.9 | -178.5 | 6.4 | 113.5 | V60 E62 L63 | V60-R65 HydrophobicContact CG1-CB 4.49Å; E62-R65 IonicContact OE2-NH2 2.77Å; L63-R65 PolarHBondContact O-N 2.84Å |
| 66 | A | 80.3 | Confident | 84.2 | Confident | 25 Ų | 25 | 75.8 Ų | 75.8 | 21% | 0.207 | 39% | 0.388 | C | S | . | . | trans | -65.4 | 137.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F54 L63 E68 V69 | F54-A66 HydrophobicContact CB-CB 4.05Å; F54-A66 HydrophobicContact CD1-CB 3.73Å; F54-A66 HydrophobicContact CG-CB 4.39Å; L63-A66 PolarHBondContact O-N 3.48Å; A66-E68 VanDerWaalsContact C-N 3.34Å; A66-V69 HydrophobicContact CB-CG2 3.98Å | ||
| 67 | D | 85.3 | Confident | 84.3 | Confident | 102 Ų | 102 | 80.6 Ų | 80.6 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -75.2 | -30.8 | 177.4 | -61 | -54.1 | 0 | 0 | 0 | 111 | R44 I55 C56 E57 | R44-D67 IonicContact NH1-OD2 2.73Å; I55-D67 PolarHBondContact O-N 3.39Å; C56-D67 WeakPolarHBondContact CA-OD2 3.35Å; E57-D67 WeakPolarHBondContact CB-OD2 3.41Å; E57-D67 PolarHBondContact N-OD2 3.37Å |
| 68 | E | 91 | Very high | 84.5 | Confident | 59 Ų | 59 | 75.3 Ų | 75.3 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 133.3 | -179.1 | 178.7 | 179.5 | 178 | 0 | 0 | 108.9 | K30 I55 A66 L70 Q110 | K30-E68 IonicContact NZ-OE1 2.79Å; K30-E68 PolarHBondContact NZ-OE1 3.21Å; K30-E68 IonicContact NZ-OE2 2.83Å; K30-E68 PolarHBondContact NZ-OE2 3.01Å; I55-E68 HydrophobicContact CB-CB 4.21Å; I55-E68 PolarHBondContact N-O 3.17Å; I55-E68 PolarHBondContact O-N 2.91Å; I55-E68 VanDerWaalsContact O-N 3.15Å; A66-E68 VanDerWaalsContact C-N 3.34Å; E68-L70 HydrophobicContact CG-CD2 3.93Å; E68-L70 HydrophobicContact CG-CG 4.25Å; E68-Q110 PolarHBondContact OE1-NE2 3.36Å |
| 69 | V | 93.2 | Very high | 84.9 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.3 | 175.8 | -173.9 | 0 | 0 | 0 | 0 | 107.4 | Q52 F54 A66 | Q52-V69 HydrophobicContact CB-CG1 4.45Å; F54-V69 HydrophobicContact CD1-CB 4.42Å; F54-V69 HydrophobicContact CD1-CG1 4.05Å; F54-V69 HydrophobicContact CD1-CG2 3.68Å; F54-V69 HydrophobicContact CE1-CB 4.5Å; F54-V69 HydrophobicContact CE1-CG1 3.8Å; F54-V69 HydrophobicContact CE1-CG2 3.87Å; F54-V69 HydrophobicContact CZ-CG1 4.29Å; A66-V69 HydrophobicContact CB-CG2 3.98Å |
| 70 | L | 93.6 | Very high | 85.2 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.1 | -178.9 | -60.8 | -179.1 | 0 | 0 | 0 | 109 | Q52 L53 I55 E68 Y75 Q110 | Q52-L70 WeakPolarHBondContact CA-O 3.23Å; L53-L70 HydrophobicContact CB-CB 4.2Å; L53-L70 HydrophobicContact CD2-CD1 4.29Å; L53-L70 PolarHBondContact N-O 3.15Å; L53-L70 PolarHBondContact O-N 3.1Å; I55-L70 HydrophobicContact CD1-CD1 3.76Å; I55-L70 HydrophobicContact CD1-CG 4.41Å; E68-L70 HydrophobicContact CG-CD2 3.93Å; E68-L70 HydrophobicContact CG-CG 4.25Å; L70-Y75 HydrophobicContact CB-CE2 4Å; L70-Y75 HydrophobicContact CD1-CE2 4.44Å; L70-Y75 HydrophobicContact CD2-CE2 4.49Å; L70-Y75 WeakPolarHBondContact CD2-OH 3.47Å; L70-Q110 HydrophobicContact CD1-CG 3.85Å |
| 71 | D | 93.4 | Very high | 85.9 | Confident | 65 Ų | 65 | 67 Ų | 67 | 35% | 0.348 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 123.3 | 170.7 | -164.1 | -19.8 | 0 | 0 | 0 | 109.5 | S73 D74 Y75 | D71-S73 PolarHBondContact O-N 2.68Å; D71-S73 PolarHBondContact OD1-N 3.04Å; D71-S73 VanDerWaalsContact OD1-N 3.1Å; D71-S73 PolarHBondContact OD1-OG 3.43Å; D71-S73 VanDerWaalsContact OD1-OG 3.08Å; D71-S73 PolarHBondContact OD2-OG 3.03Å; D71-D74 PolarHBondContact O-N 3.28Å; D71-Y75 WeakPolarHBondContact O-CD2 3.48Å |
| 72 | L | 94.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -71.8 | -16 | -178.7 | -64.9 | 178.4 | 0 | 0 | 0 | 113 | L48 D51 L53 D74 Y75 L97 L127 A130 I131 A134 | L48-L72 HydrophobicContact CD1-CD1 3.56Å; D51-L72 WeakPolarHBondContact O-CB 3.44Å; D51-L72 VanDerWaalsContact O-CG 3.24Å; D51-L72 WeakPolarHBondContact O-CG 3.4Å; D51-L72 PolarHBondContact O-N 3.44Å; L53-L72 HydrophobicContact CB-CD2 4.17Å; L72-D74 PolarHBondContact O-N 3.38Å; L72-Y75 PolarHBondContact O-N 3.28Å; L72-Y75 VanDerWaalsContact O-N 3.17Å; L72-L97 HydrophobicContact CD2-CD2 4.32Å; L72-L127 HydrophobicContact CD2-CD2 4.19Å; L72-A130 HydrophobicContact CD1-CB 3.42Å; L72-A130 VanDerWaalsContact CD1-CB 3.42Å; L72-I131 HydrophobicContact CB-CG1 4.02Å; L72-I131 HydrophobicContact CD2-CG1 4.17Å; L72-A134 HydrophobicContact CB-CB 4.3Å |
| 73 | S | 91.8 | Very high | 86.4 | Confident | 48 Ų | 48 | 66 Ų | 66 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -62.6 | -29.7 | 171.4 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | D71 Y75 | D71-S73 PolarHBondContact O-N 2.68Å; D71-S73 PolarHBondContact OD1-N 3.04Å; D71-S73 VanDerWaalsContact OD1-N 3.1Å; D71-S73 PolarHBondContact OD1-OG 3.43Å; D71-S73 VanDerWaalsContact OD1-OG 3.08Å; D71-S73 PolarHBondContact OD2-OG 3.03Å; S73-Y75 PolarHBondContact O-N 2.76Å |
| 74 | D | 91.8 | Very high | 85.6 | Confident | 58 Ų | 58 | 71.9 Ų | 71.9 | 31% | 0.31 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -76.8 | -6.7 | 179.2 | -64.6 | -26.6 | 0 | 0 | 0 | 112.9 | D71 L72 C100 N105 V107 | D71-D74 PolarHBondContact O-N 3.28Å; L72-D74 PolarHBondContact O-N 3.38Å; D74-C100 WeakPolarHBondContact O-CB 3.36Å; D74-C100 PolarHBondContact O-N 3.15Å; D74-N105 PolarHBondContact O-ND2 2.78Å; D74-V107 HydrophobicContact CB-CB 4.41Å; D74-V107 HydrophobicContact CB-CG2 4.01Å |
| 75 | Y | 94.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 145.4 | -178.2 | -67.1 | -81.2 | 0 | 0 | 0 | 111.9 | L70 D71 L72 S73 L97 Q98 V107 P108 Q110 I131 K135 | L70-Y75 HydrophobicContact CB-CE2 4Å; L70-Y75 HydrophobicContact CD1-CE2 4.44Å; L70-Y75 HydrophobicContact CD2-CE2 4.49Å; L70-Y75 WeakPolarHBondContact CD2-OH 3.47Å; D71-Y75 WeakPolarHBondContact O-CD2 3.48Å; L72-Y75 PolarHBondContact O-N 3.28Å; L72-Y75 VanDerWaalsContact O-N 3.17Å; S73-Y75 PolarHBondContact O-N 2.76Å; Y75-L97 HydrophobicContact CD1-CB 4.22Å; Y75-L97 HydrophobicContact CD1-CD1 4.49Å; Y75-L97 HydrophobicContact CD1-CD2 3.65Å; Y75-L97 HydrophobicContact CD1-CG 3.43Å; Y75-L97 VanDerWaalsContact CD1-CG 3.43Å; Y75-L97 HydrophobicContact CD2-CD2 3.76Å; Y75-L97 HydrophobicContact CD2-CG 4.29Å; Y75-L97 HydrophobicContact CE1-CB 4.37Å; Y75-L97 HydrophobicContact CE1-CD2 3.75Å; Y75-L97 HydrophobicContact CE1-CG 3.88Å; Y75-L97 HydrophobicContact CE2-CD2 3.87Å; Y75-L97 HydrophobicContact CG-CD1 4.35Å; Y75-L97 HydrophobicContact CG-CD2 3.63Å; Y75-L97 HydrophobicContact CG-CG 3.63Å; Y75-Q98 CarbonylContact C-O 3.57Å; Y75-Q98 WeakPolarHBondContact CA-O 3.35Å; Y75-Q98 WeakPolarHBondContact CD1-O 3.39Å; Y75-V107 HydrophobicContact CE1-CG1 4.02Å; Y75-V107 HydrophobicContact CE2-CG1 3.98Å; Y75-V107 VanDerWaalsContact CZ-CG1 3.43Å; Y75-V107 WeakPolarHBondContact OH-CG1 3.01Å; Y75-P108 PolarHBondContact OH-O 2.62Å; Y75-Q110 HydrophobicContact CE1-CG 4.08Å; Y75-Q110 VanDerWaalsContact OH-CG 3.26Å; Y75-Q110 WeakPolarHBondContact OH-CG 3.46Å; Y75-Q110 PolarHBondContact OH-NE2 2.99Å; Y75-I131 WeakPolarHBondContact O-CG2 3.2Å; Y75-K135 WeakPolarHBondContact O-CE 3.46Å |
| 76 | E | 94 | Very high | 84 | Confident | 74 Ų | 74 | 71.9 Ų | 71.9 | 35% | 0.346 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -50.8 | -176.9 | -170.2 | 176.2 | 177 | 0 | 0 | 112.1 | Q98 I131 K135 | E76-Q98 HydrophobicContact CB-CG 4.46Å; E76-Q98 PolarHBondContact N-O 3.16Å; E76-Q98 PolarHBondContact OE2-NE2 3.32Å; E76-I131 WeakPolarHBondContact O-CG2 3.34Å; E76-K135 VanDerWaalsContact CA-NZ 3.34Å; E76-K135 PolarHBondContact O-NZ 2.79Å |
| 77 | R | 93.9 | Very high | 82.7 | Confident | 103 Ų | 103 | 83 Ų | 83 | 39% | 0.389 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 160.8 | -174.5 | 61.3 | -171.6 | -176.4 | 119.2 | 14.7 | 110.8 | E79 Q98 | R77-E79 IonicContact CZ-OE1 3.33Å; R77-E79 IonicContact CZ-OE2 2.62Å; R77-E79 IonicContact NH1-OE2 3.31Å; R77-E79 PolarHBondContact NH1-OE2 3.15Å; R77-E79 IonicContact NH2-OE1 2.97Å; R77-E79 PolarHBondContact NH2-OE1 2.85Å; R77-E79 VanDerWaalsContact NH2-OE1 3.09Å; R77-E79 IonicContact NH2-OE2 3.54Å; R77-E79 PolarHBondContact NH2-OE2 2.84Å; R77-Q98 HydrophobicContact CG-CB 4.2Å; R77-Q98 WeakPolarHBondContact O-CB 3.47Å; R77-Q98 PolarHBondContact O-N 3.29Å |
| 78 | C | 94.9 | Very high | 81.3 | Confident | 3 Ų | 3 | 80.9 Ų | 80.9 | 2% | 0.02 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.7 | 171.5 | -166.9 | 0 | 0 | 0 | 0 | 109.1 | F95 R96 L97 I124 L127 N128 I131 | C78-F95 VanDerWaalsContact SG-CD2 3.51Å; C78-R96 CarbonylContact C-O 3.58Å; C78-R96 WeakPolarHBondContact CA-O 3.41Å; C78-L97 HydrophobicContact CB-CD1 3.79Å; C78-I124 WeakPolarHBondContact O-CG2 3.27Å; C78-L127 HydrophobicContact CB-CB 3.91Å; C78-L127 HydrophobicContact CB-CD1 4.47Å; C78-N128 WeakPolarHBondContact CA-OD1 3.36Å; C78-N128 WeakPolarHBondContact CB-OD1 3.1Å; C78-N128 PolarHBondContact N-OD1 3Å; C78-N128 PolarHBondContact O-ND2 3.08Å; C78-N128 PolarHBondContact O-OD1 3.35Å; C78-I131 HydrophobicContact CB-CD1 4.43Å |
| 79 | E | 94 | Very high | 79.6 | Confident | 64 Ų | 64 | 86.5 Ų | 86.5 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 155.8 | -176 | 68.7 | 174.4 | 174.7 | 0 | 0 | 113.9 | R77 F95 R96 | R77-E79 IonicContact CZ-OE1 3.33Å; R77-E79 IonicContact CZ-OE2 2.62Å; R77-E79 IonicContact NH1-OE2 3.31Å; R77-E79 PolarHBondContact NH1-OE2 3.15Å; R77-E79 IonicContact NH2-OE1 2.97Å; R77-E79 PolarHBondContact NH2-OE1 2.85Å; R77-E79 VanDerWaalsContact NH2-OE1 3.09Å; R77-E79 IonicContact NH2-OE2 3.54Å; R77-E79 PolarHBondContact NH2-OE2 2.84Å; E79-F95 CarbonylContact O-C 3.49Å; E79-F95 VanDerWaalsContact O-CA 3.24Å; E79-F95 WeakPolarHBondContact O-CA 3.27Å; E79-F95 WeakPolarHBondContact O-CB 3.28Å; E79-R96 PolarHBondContact N-O 3.39Å; E79-R96 PolarHBondContact O-N 3.01Å |
| 80 | E | 92.3 | Very high | 78 | Confident | 44 Ų | 44 | 91 Ų | 91 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 134.5 | 173.1 | 178.1 | 177 | -140.2 | 0 | 0 | 111.2 | R82 K120 I124 | E80-R82 HydrophobicContact CG-CG 3.96Å; E80-R82 PolarHBondContact O-N 2.81Å; E80-R82 VanDerWaalsContact O-N 3.09Å; E80-R82 IonicContact OE2-CZ 2.84Å; E80-R82 IonicContact OE2-NE 2.83Å; E80-R82 PolarHBondContact OE2-NE 2.93Å; E80-R82 IonicContact OE2-NH2 3.97Å; E80-R82 PolarHBondContact OE2-NH2 2.89Å; E80-K120 HydrophobicContact CB-CD 4.39Å; E80-K120 HydrophobicContact CG-CD 4.13Å; E80-K120 IonicContact OE1-NZ 3.49Å; E80-K120 PolarHBondContact OE1-NZ 2.81Å; E80-K120 IonicContact OE2-NZ 2.68Å; E80-I124 HydrophobicContact CB-CD1 4.13Å |
| 81 | I | 88.7 | Confident | 76.7 | Confident | 37 Ų | 37 | 92 Ų | 92 | 19% | 0.19 | 43% | 0.425 | C | S | . | . | trans | -83.3 | 91.3 | 174.1 | -56.7 | -175.9 | 0 | 0 | 0 | 109.1 | K94 R96 V111 | I81-K94 HydrophobicContact CB-CD 4.48Å; I81-K94 HydrophobicContact CB-CG 4.33Å; I81-K94 HydrophobicContact CD1-CD 4.16Å; I81-K94 HydrophobicContact CD1-CG 4Å; I81-K94 HydrophobicContact CG1-CG 4.47Å; I81-K94 PolarHBondContact N-O 2.92Å; I81-R96 HydrophobicContact CD1-CB 3.83Å; I81-R96 HydrophobicContact CG1-CB 3.8Å; I81-V111 HydrophobicContact CD1-CG1 3.72Å; I81-V111 HydrophobicContact CD1-CG2 4.23Å | ||
| 82 | R | 77.1 | Confident | 75.9 | Confident | 198 Ų | 198 | 92.6 Ų | 92.6 | 75% | 0.747 | 43% | 0.425 | S | S | * | . | trans | -81.8 | 122.6 | 174.8 | -63.6 | -175.7 | -179 | 139.5 | 4.5 | 110.6 | E80 N84 | E80-R82 HydrophobicContact CG-CG 3.96Å; E80-R82 PolarHBondContact O-N 2.81Å; E80-R82 VanDerWaalsContact O-N 3.09Å; E80-R82 IonicContact OE2-CZ 2.84Å; E80-R82 IonicContact OE2-NE 2.83Å; E80-R82 PolarHBondContact OE2-NE 2.93Å; E80-R82 IonicContact OE2-NH2 3.97Å; E80-R82 PolarHBondContact OE2-NH2 2.89Å; R82-N84 PolarHBondContact O-N 2.89Å | ||
| 83 | K | 63.8 | Low | 75.6 | Confident | 120 Ų | 120 | 93.2 Ų | 93.2 | 52% | 0.522 | 43% | 0.43 | S | S | . | . | trans | -79.9 | 100.4 | 167.1 | -69.1 | -167.8 | -178.5 | -173 | 0 | 108.6 | K85 S86 | K83-K85 PolarHBondContact O-N 2.99Å; K83-S86 PolarHBondContact O-N 3.49Å | ||
| 84 | N | 54.3 | Low | 75.6 | Confident | 160 Ų | 160 | 92.6 Ų | 92.6 | 86% | 0.856 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -2.9 | 178 | 53.1 | 1.7 | 0 | 0 | 0 | 117 | R82 | R82-N84 PolarHBondContact O-N 2.89Š|
| 85 | K | 53.1 | Low | 75.7 | Confident | 202 Ų | 202 | 89.8 Ų | 89.8 | 88% | 0.878 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.9 | 5.9 | 177.5 | -71.4 | -173 | 176.4 | 172 | 0 | 115.8 | K83 | K83-K85 PolarHBondContact O-N 2.99Š|
| 86 | S | 49.3 | Very low | 75.8 | Confident | 60 Ų | 60 | 93.7 Ų | 93.7 | 42% | 0.42 | 42% | 0.421 | S | S | . | . | trans | -118.4 | 108.1 | -176.5 | -166.4 | 0 | 0 | 0 | 0 | 111 | K83 S88 | K83-S86 PolarHBondContact O-N 3.49Å; S86-S88 PolarHBondContact O-N 2.68Å; S86-S88 WeakPolarHBondContact OG-CB 3.25Å; S86-S88 PolarHBondContact OG-N 2.83Å | ||
| 87 | R | 52.4 | Low | 75.9 | Confident | 259 Ų | 259 | 90.2 Ų | 90.2 | 98% | 0.977 | 41% | 0.405 | S | S | * | . | trans | -59.7 | 14.6 | 163.4 | 59.1 | -176.8 | -169.9 | 159.1 | 4.9 | 114.1 | K89 | R87-K89 PolarHBondContact O-N 3.38Š| ||
| 88 | S | 55.2 | Low | 75.9 | Confident | 56 Ų | 56 | 87.3 Ų | 87.3 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | trans | -82.7 | 109.1 | 177.7 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | S86 K90 | S86-S88 PolarHBondContact O-N 2.68Å; S86-S88 WeakPolarHBondContact OG-CB 3.25Å; S86-S88 PolarHBondContact OG-N 2.83Å; S88-K90 PolarHBondContact O-N 3.42Å; S88-K90 WeakPolarHBondContact OG-CB 3.49Å | ||
| 89 | K | 56.6 | Low | 75.9 | Confident | 178 Ų | 178 | 92 Ų | 92 | 77% | 0.774 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -54.7 | -2.3 | 170 | -166.9 | 159.5 | -178.5 | 164.4 | 0 | 114.1 | R87 N91 H92 | R87-K89 PolarHBondContact O-N 3.38Å; K89-N91 VanDerWaalsContact C-N 3.34Å; K89-N91 PolarHBondContact O-N 3Å; K89-H92 PolarHBondContact O-CE1 3.31Å; K89-H92 VanDerWaalsContact O-CE1 3.28Å; K89-H92 PolarHBondContact O-ND1 2.98Å |
| 90 | K | 58.8 | Low | 75.7 | Confident | 170 Ų | 170 | 90.2 Ų | 90.2 | 74% | 0.739 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -77.6 | -8.2 | -174.3 | -162 | 171.1 | 180 | 179.7 | 0 | 115 | S88 | S88-K90 PolarHBondContact O-N 3.42Å; S88-K90 WeakPolarHBondContact OG-CB 3.49Å |
| 91 | N | 67.5 | Low | 75.4 | Confident | 34 Ų | 34 | 92.6 Ų | 92.6 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -111.5 | 4.4 | -172.9 | -56.2 | -80 | 0 | 0 | 0 | 115.1 | K89 S93 K94 | K89-N91 VanDerWaalsContact C-N 3.34Å; K89-N91 PolarHBondContact O-N 3Å; N91-S93 PolarHBondContact O-N 3.49Å; N91-S93 VanDerWaalsContact O-N 3.07Å; N91-K94 PolarHBondContact O-N 3.47Å; N91-K94 VanDerWaalsContact O-N 3.14Å |
| 92 | H | 75.1 | Confident | 75.1 | Confident | 76 Ų | 76 | 93.4 Ų | 93.4 | 35% | 0.352 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -7.4 | -177.3 | 63.5 | -40.2 | 0 | 0 | 0 | 116 | K89 P117 K120 | K89-H92 PolarHBondContact O-CE1 3.31Å; K89-H92 VanDerWaalsContact O-CE1 3.28Å; K89-H92 PolarHBondContact O-ND1 2.98Å; H92-P117 HydrophobicContact CB-CB 4.07Å; H92-P117 WeakPolarHBondContact CD2-CB 3.5Å; H92-P117 WeakPolarHBondContact CD2-CG 3.34Å; H92-P117 WeakPolarHBondContact O-CB 3.49Å; H92-K120 WeakPolarHBondContact O-CD 3.26Å; H92-K120 WeakPolarHBondContact O-CE 3.5Å |
| 93 | S | 89.8 | Confident | 75.2 | Confident | 14 Ų | 14 | 90.6 Ų | 90.6 | 10% | 0.098 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 5 | 175.3 | 65.4 | 0 | 0 | 0 | 0 | 114 | N91 L113 A114 | N91-S93 PolarHBondContact O-N 3.49Å; N91-S93 VanDerWaalsContact O-N 3.07Å; S93-L113 WeakPolarHBondContact O-CA 3.35Å; S93-L113 VanDerWaalsContact OG-CD1 3.27Å; S93-L113 WeakPolarHBondContact OG-CD1 3.43Å; S93-A114 WeakPolarHBondContact CB-O 3.49Å; S93-A114 PolarHBondContact O-N 3.29Å; S93-A114 PolarHBondContact OG-O 3.26Å |
| 94 | K | 91.6 | Very high | 75.9 | Confident | 34 Ų | 34 | 88.5 Ų | 88.5 | 15% | 0.148 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.2 | -179.1 | -166.5 | 179.2 | 179.8 | 164.1 | 0 | 110.7 | W41 I81 N91 V111 F112 L113 | W41-K94 HydrophobicContact CH2-CD 4.33Å; W41-K94 HydrophobicContact CH2-CG 4.34Å; I81-K94 HydrophobicContact CB-CD 4.48Å; I81-K94 HydrophobicContact CB-CG 4.33Å; I81-K94 HydrophobicContact CD1-CD 4.16Å; I81-K94 HydrophobicContact CD1-CG 4Å; I81-K94 HydrophobicContact CG1-CG 4.47Å; I81-K94 PolarHBondContact N-O 2.92Å; N91-K94 PolarHBondContact O-N 3.47Å; N91-K94 VanDerWaalsContact O-N 3.14Å; K94-V111 VanDerWaalsContact CE-CG1 3.44Å; K94-V111 HydrophobicContact CG-CG1 4.35Å; K94-F112 WeakPolarHBondContact CA-O 3.13Å; K94-L113 HydrophobicContact CB-CD1 3.9Å; K94-L113 HydrophobicContact CG-CD1 4.43Å |
| 95 | F | 94.4 | Very high | 77.4 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 161.5 | -179 | 66.5 | -81.6 | 0 | 0 | 0 | 111.6 | I28 C78 E79 F112 A114 K120 W123 I124 L127 | I28-F95 HydrophobicContact CD1-CZ 4.2Å; I28-F95 HydrophobicContact CG2-CE1 4.28Å; I28-F95 HydrophobicContact CG2-CZ 4.33Å; C78-F95 VanDerWaalsContact SG-CD2 3.51Å; E79-F95 CarbonylContact O-C 3.49Å; E79-F95 VanDerWaalsContact O-CA 3.24Å; E79-F95 WeakPolarHBondContact O-CA 3.27Å; E79-F95 WeakPolarHBondContact O-CB 3.28Å; F95-F112 HydrophobicContact CD1-CB 3.87Å; F95-F112 HydrophobicContact CD2-CB 4.04Å; F95-F112 HydrophobicContact CD2-CD2 4.17Å; F95-F112 HydrophobicContact CE1-CB 3.41Å; F95-F112 VanDerWaalsContact CE1-CB 3.41Å; F95-F112 HydrophobicContact CE1-CG 4.46Å; F95-F112 HydrophobicContact CE2-CB 3.61Å; F95-F112 AromaticContact CE2-CD2 3.59Å; F95-F112 HydrophobicContact CE2-CD2 3.59Å; F95-F112 AromaticContact CE2-CG 3.93Å; F95-F112 HydrophobicContact CE2-CG 3.93Å; F95-F112 HydrophobicContact CG-CB 4.19Å; F95-F112 HydrophobicContact CZ-CB 3.28Å; F95-F112 HydrophobicContact CZ-CD2 4.02Å; F95-F112 AromaticContact CZ-CG 3.87Å; F95-F112 HydrophobicContact CZ-CG 3.87Å; F95-F112 PolarHBondContact N-O 3.14Å; F95-F112 PolarHBondContact O-N 3.33Å; F95-A114 HydrophobicContact CE1-CB 4.12Å; F95-K120 HydrophobicContact CB-CD 4.37Å; F95-K120 HydrophobicContact CB-CG 3.91Å; F95-K120 HydrophobicContact CD1-CB 4.3Å; F95-K120 HydrophobicContact CD1-CG 3.62Å; F95-K120 HydrophobicContact CE1-CG 4.46Å; F95-K120 HydrophobicContact CG-CG 4.06Å; F95-W123 HydrophobicContact CE1-CB 4.4Å; F95-W123 HydrophobicContact CE2-CB 4.31Å; F95-W123 HydrophobicContact CZ-CB 3.87Å; F95-W123 HydrophobicContact CZ-CG 4.32Å; F95-I124 HydrophobicContact CB-CD1 3.82Å; F95-I124 HydrophobicContact CB-CG1 3.95Å; F95-I124 HydrophobicContact CD2-CG1 4.21Å; F95-I124 HydrophobicContact CG-CD1 4.49Å; F95-I124 HydrophobicContact CG-CG1 4.18Å; F95-L127 HydrophobicContact CE2-CD1 3.99Å |
| 96 | R | 95.1 | Very high | 79 | Confident | 82 Ų | 82 | 78.3 Ų | 78.3 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.1 | -177.9 | -177.7 | -178.1 | -67.2 | -98.3 | 1.5 | 109.6 | C78 E79 I81 Q110 V111 | C78-R96 CarbonylContact C-O 3.58Å; C78-R96 WeakPolarHBondContact CA-O 3.41Å; E79-R96 PolarHBondContact N-O 3.39Å; E79-R96 PolarHBondContact O-N 3.01Å; I81-R96 HydrophobicContact CD1-CB 3.83Å; I81-R96 HydrophobicContact CG1-CB 3.8Å; R96-Q110 CarbonylContact C-O 3.57Å; R96-Q110 VanDerWaalsContact CA-O 3.32Å; R96-Q110 WeakPolarHBondContact CA-O 3.49Å; R96-Q110 WeakPolarHBondContact CG-O 3.34Å; R96-V111 HydrophobicContact CG-CG2 4.23Å |
| 97 | L | 95.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 109.2 | 162.2 | -164.5 | 65.7 | 0 | 0 | 0 | 107.7 | L53 L72 Y75 C78 N109 Q110 F112 I131 | L53-L97 HydrophobicContact CD2-CD2 4.43Å; L72-L97 HydrophobicContact CD2-CD2 4.32Å; Y75-L97 HydrophobicContact CD1-CB 4.22Å; Y75-L97 HydrophobicContact CD1-CD1 4.49Å; Y75-L97 HydrophobicContact CD1-CD2 3.65Å; Y75-L97 HydrophobicContact CD1-CG 3.43Å; Y75-L97 VanDerWaalsContact CD1-CG 3.43Å; Y75-L97 HydrophobicContact CD2-CD2 3.76Å; Y75-L97 HydrophobicContact CD2-CG 4.29Å; Y75-L97 HydrophobicContact CE1-CB 4.37Å; Y75-L97 HydrophobicContact CE1-CD2 3.75Å; Y75-L97 HydrophobicContact CE1-CG 3.88Å; Y75-L97 HydrophobicContact CE2-CD2 3.87Å; Y75-L97 HydrophobicContact CG-CD1 4.35Å; Y75-L97 HydrophobicContact CG-CD2 3.63Å; Y75-L97 HydrophobicContact CG-CG 3.63Å; C78-L97 HydrophobicContact CB-CD1 3.79Å; L97-N109 WeakPolarHBondContact O-CA 3.26Å; L97-Q110 HydrophobicContact CB-CB 4.05Å; L97-Q110 PolarHBondContact N-O 3.37Å; L97-Q110 PolarHBondContact O-N 3.43Å; L97-F112 HydrophobicContact CB-CE2 4.24Å; L97-I131 HydrophobicContact CD1-CD1 3.68Å |
| 98 | Q | 95.1 | Very high | 82.8 | Confident | 42 Ų | 42 | 68.3 Ų | 68.3 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 127.5 | -176 | 179.1 | 174.9 | -16.2 | 0 | 0 | 109.6 | Y75 E76 R77 N109 | Y75-Q98 CarbonylContact C-O 3.57Å; Y75-Q98 WeakPolarHBondContact CA-O 3.35Å; Y75-Q98 WeakPolarHBondContact CD1-O 3.39Å; E76-Q98 HydrophobicContact CB-CG 4.46Å; E76-Q98 PolarHBondContact N-O 3.16Å; E76-Q98 PolarHBondContact OE2-NE2 3.32Å; R77-Q98 HydrophobicContact CG-CB 4.2Å; R77-Q98 WeakPolarHBondContact O-CB 3.47Å; R77-Q98 PolarHBondContact O-N 3.29Å; Q98-N109 WeakPolarHBondContact CA-OD1 3.48Å |
| 99 | R | 93.7 | Very high | 84.6 | Confident | 101 Ų | 101 | 68.7 Ų | 68.7 | 38% | 0.381 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 150.8 | 175.2 | 74.6 | 179.1 | -172.9 | 125.6 | 2.1 | 110.9 | N105 V107 N109 | R99-N105 PolarHBondContact NH1-O 2.83Å; R99-V107 WeakPolarHBondContact CB-O 3.29Å; R99-V107 WeakPolarHBondContact CD-O 3.27Å; R99-N109 PolarHBondContact N-OD1 3.41Å |
| 100 | C | 89.5 | Confident | 86.4 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 19% | 0.189 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 140.9 | 168.3 | -163.8 | 0 | 0 | 0 | 0 | 110.7 | D74 S102 N105 | D74-C100 WeakPolarHBondContact O-CB 3.36Å; D74-C100 PolarHBondContact O-N 3.15Å; C100-S102 PolarHBondContact O-N 3.19Å; C100-N105 PolarHBondContact N-ND2 2.81Å; C100-N105 PolarHBondContact O-ND2 2.82Å |
| 101 | S | 86.4 | Confident | 88.1 | Confident | 93 Ų | 93 | 53.1 Ų | 53.1 | 65% | 0.65 | 32% | 0.315 | S | S | * | . | trans | -85.8 | 15.2 | 176.2 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 102 | S | 83.6 | Confident | 89.4 | Confident | 55 Ų | 55 | 51.7 Ų | 51.7 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | trans | -63.3 | 137 | 177.9 | 47.2 | 0 | 0 | 0 | 0 | 111.3 | C100 G104 N105 | C100-S102 PolarHBondContact O-N 3.19Å; S102-G104 PolarHBondContact O-N 3.18Å; S102-N105 PolarHBondContact O-N 2.85Å; S102-N105 VanDerWaalsContact O-N 3.13Å | ||
| 103 | P | 77.6 | Confident | 90.3 | Very high | 139 Ų | 139 | 49.6 Ų | 49.6 | 90% | 0.903 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 126 | 174.5 | 23.4 | -29.8 | 0 | 0 | 0 | 109.3 | ||
| 104 | G | 80 | Confident | 90.5 | Very high | 76 Ų | 76 | 49 Ų | 49 | 78% | 0.784 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.6 | -14.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S102 T106 | S102-G104 PolarHBondContact O-N 3.18Å; G104-T106 PolarHBondContact O-N 3.25Å |
| 105 | N | 85.1 | Confident | 90.5 | Very high | 17 Ų | 17 | 52.5 Ų | 52.5 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | trans | -80.3 | 108.5 | 176.2 | -173.5 | 8.2 | 0 | 0 | 0 | 112.2 | D74 R99 C100 S102 V107 | D74-N105 PolarHBondContact O-ND2 2.78Å; R99-N105 PolarHBondContact NH1-O 2.83Å; C100-N105 PolarHBondContact N-ND2 2.81Å; C100-N105 PolarHBondContact O-ND2 2.82Å; S102-N105 PolarHBondContact O-N 2.85Å; S102-N105 VanDerWaalsContact O-N 3.13Å; N105-V107 VanDerWaalsContact OD1-CB 3.27Å; N105-V107 WeakPolarHBondContact OD1-CB 3.39Å; N105-V107 VanDerWaalsContact OD1-CG2 3.29Å; N105-V107 WeakPolarHBondContact OD1-CG2 3.5Å; N105-V107 PolarHBondContact OD1-N 2.96Å | ||
| 106 | T | 86.4 | Confident | 90.4 | Very high | 130 Ų | 130 | 54.2 Ų | 54.2 | 80% | 0.798 | 33% | 0.331 | S | S | * | . | trans | -93.1 | -1.4 | 178.3 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | G104 | G104-T106 PolarHBondContact O-N 3.25Š| ||
| 107 | V | 90.1 | Very high | 90.2 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 16% | 0.164 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 133.2 | -173.6 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | D74 Y75 R99 N105 | D74-V107 HydrophobicContact CB-CB 4.41Å; D74-V107 HydrophobicContact CB-CG2 4.01Å; Y75-V107 HydrophobicContact CE1-CG1 4.02Å; Y75-V107 HydrophobicContact CE2-CG1 3.98Å; Y75-V107 VanDerWaalsContact CZ-CG1 3.43Å; Y75-V107 WeakPolarHBondContact OH-CG1 3.01Å; R99-V107 WeakPolarHBondContact CB-O 3.29Å; R99-V107 WeakPolarHBondContact CD-O 3.27Å; N105-V107 VanDerWaalsContact OD1-CB 3.27Å; N105-V107 WeakPolarHBondContact OD1-CB 3.39Å; N105-V107 VanDerWaalsContact OD1-CG2 3.29Å; N105-V107 WeakPolarHBondContact OD1-CG2 3.5Å; N105-V107 PolarHBondContact OD1-N 2.96Å |
| 108 | P | 91.4 | Very high | 90 | Very high | 83 Ų | 83 | 57.6 Ų | 57.6 | 54% | 0.539 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 156.8 | 179.6 | 30.8 | -35.3 | 0 | 0 | 0 | 112.4 | Y75 Q110 | Y75-P108 PolarHBondContact OH-O 2.62Å; P108-Q110 PolarHBondContact O-N 3.23Å |
| 109 | N | 93.3 | Very high | 90 | Very high | 63 Ų | 63 | 57.6 Ų | 57.6 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 130.6 | 166.5 | -71 | -41.2 | 0 | 0 | 0 | 110.2 | L97 Q98 R99 | L97-N109 WeakPolarHBondContact O-CA 3.26Å; Q98-N109 WeakPolarHBondContact CA-OD1 3.48Å; R99-N109 PolarHBondContact N-OD1 3.41Å |
| 110 | Q | 94.2 | Very high | 90 | Very high | 11 Ų | 11 | 53 Ų | 53 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142.4 | 175.3 | -52.7 | -68.7 | -9.3 | 0 | 0 | 109.8 | K30 E68 L70 Y75 R96 L97 P108 F112 | K30-Q110 VanDerWaalsContact NZ-OE1 3.13Å; E68-Q110 PolarHBondContact OE1-NE2 3.36Å; L70-Q110 HydrophobicContact CD1-CG 3.85Å; Y75-Q110 HydrophobicContact CE1-CG 4.08Å; Y75-Q110 VanDerWaalsContact OH-CG 3.26Å; Y75-Q110 WeakPolarHBondContact OH-CG 3.46Å; Y75-Q110 PolarHBondContact OH-NE2 2.99Å; R96-Q110 CarbonylContact C-O 3.57Å; R96-Q110 VanDerWaalsContact CA-O 3.32Å; R96-Q110 WeakPolarHBondContact CA-O 3.49Å; R96-Q110 WeakPolarHBondContact CG-O 3.34Å; L97-Q110 HydrophobicContact CB-CB 4.05Å; L97-Q110 PolarHBondContact N-O 3.37Å; L97-Q110 PolarHBondContact O-N 3.43Å; P108-Q110 PolarHBondContact O-N 3.23Å; Q110-F112 HydrophobicContact CB-CD2 4.32Å; Q110-F112 HydrophobicContact CB-CE2 3.52Å; Q110-F112 HydrophobicContact CB-CZ 3.76Å; Q110-F112 HydrophobicContact CG-CZ 4.45Å |
| 111 | V | 94.5 | Very high | 90.2 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.5 | 178.8 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | F31 W41 I81 K94 R96 | F31-V111 HydrophobicContact CB-CB 3.86Å; F31-V111 HydrophobicContact CB-CG1 4.23Å; F31-V111 WeakPolarHBondContact CB-O 3.39Å; F31-V111 HydrophobicContact CG-CB 4.45Å; F31-V111 PolarHBondContact N-O 2.89Å; W41-V111 HydrophobicContact CH2-CG1 3.69Å; W41-V111 HydrophobicContact CZ2-CG1 4.44Å; W41-V111 HydrophobicContact CZ3-CG1 4.39Å; I81-V111 HydrophobicContact CD1-CG1 3.72Å; I81-V111 HydrophobicContact CD1-CG2 4.23Å; K94-V111 VanDerWaalsContact CE-CG1 3.44Å; K94-V111 HydrophobicContact CG-CG1 4.35Å; R96-V111 HydrophobicContact CG-CG2 4.23Å |
| 112 | F | 95.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 154 | -172.4 | -64.6 | -69.5 | 0 | 0 | 0 | 111.1 | I28 R29 K30 I55 K94 F95 L97 Q110 | I28-F112 HydrophobicContact CG2-CB 3.77Å; I28-F112 HydrophobicContact CG2-CD1 3.99Å; I28-F112 HydrophobicContact CG2-CG 4.23Å; R29-F112 CarbonylContact O-C 3.53Å; R29-F112 WeakPolarHBondContact O-CA 3.4Å; K30-F112 HydrophobicContact CB-CD1 4.15Å; K30-F112 HydrophobicContact CB-CE1 4.08Å; K30-F112 HydrophobicContact CD-CE1 4.31Å; K30-F112 HydrophobicContact CG-CD1 4.12Å; K30-F112 HydrophobicContact CG-CE1 3.72Å; I55-F112 HydrophobicContact CD1-CE1 4.12Å; I55-F112 HydrophobicContact CD1-CZ 4.05Å; K94-F112 WeakPolarHBondContact CA-O 3.13Å; F95-F112 HydrophobicContact CD1-CB 3.87Å; F95-F112 HydrophobicContact CD2-CB 4.04Å; F95-F112 HydrophobicContact CD2-CD2 4.17Å; F95-F112 HydrophobicContact CE1-CB 3.41Å; F95-F112 VanDerWaalsContact CE1-CB 3.41Å; F95-F112 HydrophobicContact CE1-CG 4.46Å; F95-F112 HydrophobicContact CE2-CB 3.61Å; F95-F112 AromaticContact CE2-CD2 3.59Å; F95-F112 HydrophobicContact CE2-CD2 3.59Å; F95-F112 AromaticContact CE2-CG 3.93Å; F95-F112 HydrophobicContact CE2-CG 3.93Å; F95-F112 HydrophobicContact CG-CB 4.19Å; F95-F112 HydrophobicContact CZ-CB 3.28Å; F95-F112 HydrophobicContact CZ-CD2 4.02Å; F95-F112 AromaticContact CZ-CG 3.87Å; F95-F112 HydrophobicContact CZ-CG 3.87Å; F95-F112 PolarHBondContact N-O 3.14Å; F95-F112 PolarHBondContact O-N 3.33Å; L97-F112 HydrophobicContact CB-CE2 4.24Å; Q110-F112 HydrophobicContact CB-CD2 4.32Å; Q110-F112 HydrophobicContact CB-CE2 3.52Å; Q110-F112 HydrophobicContact CB-CZ 3.76Å; Q110-F112 HydrophobicContact CG-CZ 4.45Å |
| 113 | L | 94 | Very high | 91.3 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 108.4 | 174.8 | -178.9 | 75.7 | 0 | 0 | 0 | 108.2 | I28 R29 W41 S93 K94 | I28-L113 WeakPolarHBondContact CG2-O 3.41Å; R29-L113 HydrophobicContact CB-CB 4.07Å; R29-L113 PolarHBondContact N-O 3.12Å; R29-L113 PolarHBondContact O-N 3.13Å; W41-L113 HydrophobicContact CE3-CB 4.12Å; W41-L113 HydrophobicContact CH2-CB 4.02Å; W41-L113 HydrophobicContact CZ3-CB 3.6Å; S93-L113 WeakPolarHBondContact O-CA 3.35Å; S93-L113 VanDerWaalsContact OG-CD1 3.27Å; S93-L113 WeakPolarHBondContact OG-CD1 3.43Å; K94-L113 HydrophobicContact CB-CD1 3.9Å; K94-L113 HydrophobicContact CG-CD1 4.43Å |
| 114 | A | 93.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | trans | -74 | 165.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S93 F95 S116 E119 K120 | S93-A114 WeakPolarHBondContact CB-O 3.49Å; S93-A114 PolarHBondContact O-N 3.29Å; S93-A114 PolarHBondContact OG-O 3.26Å; F95-A114 HydrophobicContact CE1-CB 4.12Å; A114-S116 VanDerWaalsContact C-N 3.33Å; A114-S116 WeakPolarHBondContact CB-O 3.32Å; A114-E119 HydrophobicContact CB-CB 4.23Å; A114-K120 HydrophobicContact CB-CB 3.79Å | ||
| 115 | V | 91.9 | Very high | 92.9 | Very high | 109 Ų | 109 | 47.6 Ų | 47.6 | 66% | 0.661 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -69.5 | -36.8 | 178.9 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | E119 | V115-E119 WeakPolarHBondContact CB-OE2 3.38Å; V115-E119 WeakPolarHBondContact CG2-OE2 3.36Å; V115-E119 PolarHBondContact N-OE2 3Å |
| 116 | S | 91.1 | Very high | 93.4 | Very high | 36 Ų | 36 | 49 Ų | 49 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -135.3 | 161.6 | 178.3 | 95.9 | 0 | 0 | 0 | 0 | 111.7 | A114 E118 E119 K120 | A114-S116 VanDerWaalsContact C-N 3.33Å; A114-S116 WeakPolarHBondContact CB-O 3.32Å; S116-E118 VanDerWaalsContact C-N 3.34Å; S116-E118 WeakPolarHBondContact CB-OE2 3.4Å; S116-E118 PolarHBondContact OG-N 3.25Å; S116-E118 PolarHBondContact OG-OE2 3.32Å; S116-E119 PolarHBondContact O-N 2.91Å; S116-E119 PolarHBondContact OG-N 3.49Å; S116-K120 PolarHBondContact O-N 2.78Å |
| 117 | P | 90.9 | Very high | 93.9 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 16% | 0.156 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -36 | 173.3 | 28.3 | -36.8 | 0 | 0 | 0 | 113.1 | H92 E119 K120 D121 | H92-P117 HydrophobicContact CB-CB 4.07Å; H92-P117 WeakPolarHBondContact CD2-CB 3.5Å; H92-P117 WeakPolarHBondContact CD2-CG 3.34Å; H92-P117 WeakPolarHBondContact O-CB 3.49Å; P117-E119 VanDerWaalsContact C-N 3.29Å; P117-E119 PolarHBondContact O-N 2.91Å; P117-K120 WeakPolarHBondContact O-CB 3.25Å; P117-K120 WeakPolarHBondContact O-CE 3.21Å; P117-K120 PolarHBondContact O-N 3.07Å; P117-D121 PolarHBondContact O-N 3.48Å |
| 118 | E | 92.6 | Very high | 94.2 | Very high | 128 Ų | 128 | 43.8 Ų | 43.8 | 60% | 0.598 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.2 | -40.9 | 175.9 | -54.6 | 75.2 | -160.2 | 0 | 0 | 110 | S116 D121 S122 | S116-E118 VanDerWaalsContact C-N 3.34Å; S116-E118 WeakPolarHBondContact CB-OE2 3.4Å; S116-E118 PolarHBondContact OG-N 3.25Å; S116-E118 PolarHBondContact OG-OE2 3.32Å; E118-D121 PolarHBondContact O-N 3.45Å; E118-S122 WeakPolarHBondContact O-CB 3.48Å; E118-S122 PolarHBondContact O-N 3.41Å |
| 119 | E | 94.1 | Very high | 94.4 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 20% | 0.201 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -40.2 | 175.7 | -158.3 | -162.9 | 178.3 | 0 | 0 | 111.4 | A114 V115 S116 P117 S122 W123 | A114-E119 HydrophobicContact CB-CB 4.23Å; V115-E119 WeakPolarHBondContact CB-OE2 3.38Å; V115-E119 WeakPolarHBondContact CG2-OE2 3.36Å; V115-E119 PolarHBondContact N-OE2 3Å; S116-E119 PolarHBondContact O-N 2.91Å; S116-E119 PolarHBondContact OG-N 3.49Å; P117-E119 VanDerWaalsContact C-N 3.29Å; P117-E119 PolarHBondContact O-N 2.91Å; E119-S122 PolarHBondContact O-N 2.91Å; E119-W123 WeakPolarHBondContact O-CB 3.3Å; E119-W123 PolarHBondContact O-N 2.85Å; E119-W123 PolarHBondContact OE1-NE1 3.02Å; E119-W123 VanDerWaalsContact OE1-NE1 3.16Å |
| 120 | K | 93.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.6 | -50.9 | 172.1 | 175.6 | -134.5 | 45.5 | 156.9 | 0 | 110.6 | E80 H92 F95 A114 S116 P117 S122 W123 I124 | E80-K120 HydrophobicContact CB-CD 4.39Å; E80-K120 HydrophobicContact CG-CD 4.13Å; E80-K120 IonicContact OE1-NZ 3.49Å; E80-K120 PolarHBondContact OE1-NZ 2.81Å; E80-K120 IonicContact OE2-NZ 2.68Å; H92-K120 WeakPolarHBondContact O-CD 3.26Å; H92-K120 WeakPolarHBondContact O-CE 3.5Å; F95-K120 HydrophobicContact CB-CD 4.37Å; F95-K120 HydrophobicContact CB-CG 3.91Å; F95-K120 HydrophobicContact CD1-CB 4.3Å; F95-K120 HydrophobicContact CD1-CG 3.62Å; F95-K120 HydrophobicContact CE1-CG 4.46Å; F95-K120 HydrophobicContact CG-CG 4.06Å; A114-K120 HydrophobicContact CB-CB 3.79Å; S116-K120 PolarHBondContact O-N 2.78Å; P117-K120 WeakPolarHBondContact O-CB 3.25Å; P117-K120 WeakPolarHBondContact O-CE 3.21Å; P117-K120 PolarHBondContact O-N 3.07Å; K120-S122 VanDerWaalsContact C-N 3.3Å; K120-S122 PolarHBondContact O-N 2.95Å; K120-W123 PolarHBondContact O-N 3.03Å; K120-W123 VanDerWaalsContact O-N 3.17Å; K120-I124 HydrophobicContact CD-CD1 3.79Å; K120-I124 HydrophobicContact CG-CD1 3.81Å; K120-I124 HydrophobicContact CG-CG1 4.43Å; K120-I124 WeakPolarHBondContact O-CG1 3.41Å; K120-I124 PolarHBondContact O-N 2.65Å |
| 121 | D | 94.3 | Very high | 94.4 | Very high | 86 Ų | 86 | 39.5 Ų | 39.5 | 46% | 0.46 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 179.8 | -71 | -34.2 | 0 | 0 | 0 | 111.5 | P117 E118 W123 I124 N125 | P117-D121 PolarHBondContact O-N 3.48Å; E118-D121 PolarHBondContact O-N 3.45Å; D121-W123 PolarHBondContact O-N 2.89Å; D121-I124 PolarHBondContact O-N 2.99Å; D121-N125 WeakPolarHBondContact O-CB 3.4Å; D121-N125 PolarHBondContact O-N 3.24Å |
| 122 | S | 96 | Very high | 94.4 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 42% | 0.42 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.6 | -39.7 | 174.1 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | K24 E118 E119 K120 I126 | K24-S122 VanDerWaalsContact NZ-C 3.29Å; K24-S122 PolarHBondContact NZ-OG 3Å; E118-S122 WeakPolarHBondContact O-CB 3.48Å; E118-S122 PolarHBondContact O-N 3.41Å; E119-S122 PolarHBondContact O-N 2.91Å; K120-S122 VanDerWaalsContact C-N 3.3Å; K120-S122 PolarHBondContact O-N 2.95Å; S122-I126 WeakPolarHBondContact O-CG2 3.48Å; S122-I126 PolarHBondContact O-N 3.05Å |
| 123 | W | 96.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 174.3 | -83.3 | 113.6 | 0 | 0 | 0 | 112.2 | K24 I28 V46 L48 L53 F95 E119 K120 D121 N125 I126 L127 | K24-W123 HydrophobicContact CB-CH2 4.2Å; K24-W123 HydrophobicContact CB-CZ3 4.15Å; K24-W123 HydrophobicContact CD-CD2 3.79Å; K24-W123 HydrophobicContact CD-CE3 3.82Å; K24-W123 HydrophobicContact CD-CG 4.43Å; K24-W123 HydrophobicContact CD-CH2 4.08Å; K24-W123 HydrophobicContact CD-CZ2 4.04Å; K24-W123 HydrophobicContact CD-CZ3 3.97Å; K24-W123 VanDerWaalsContact CE-CE2 3.46Å; K24-W123 HydrophobicContact CG-CE3 4.39Å; K24-W123 HydrophobicContact CG-CH2 3.81Å; K24-W123 HydrophobicContact CG-CZ2 3.96Å; K24-W123 HydrophobicContact CG-CZ3 4.03Å; K24-W123 VanDerWaalsContact NZ-N 3.17Å; I28-W123 HydrophobicContact CD1-CD2 3.53Å; I28-W123 HydrophobicContact CD1-CE3 4.09Å; I28-W123 HydrophobicContact CD1-CG 3.89Å; I28-W123 HydrophobicContact CD1-CH2 4.19Å; I28-W123 HydrophobicContact CD1-CZ2 3.65Å; I28-W123 HydrophobicContact CD1-CZ3 4.38Å; I28-W123 HydrophobicContact CG1-CZ2 4.16Å; V46-W123 HydrophobicContact CB-CH2 4.13Å; V46-W123 HydrophobicContact CG1-CH2 4Å; V46-W123 HydrophobicContact CG1-CZ3 4.1Å; L48-W123 HydrophobicContact CB-CZ3 4.35Å; L53-W123 HydrophobicContact CD1-CZ3 4.47Å; F95-W123 HydrophobicContact CE1-CB 4.4Å; F95-W123 HydrophobicContact CE2-CB 4.31Å; F95-W123 HydrophobicContact CZ-CB 3.87Å; F95-W123 HydrophobicContact CZ-CG 4.32Å; E119-W123 WeakPolarHBondContact O-CB 3.3Å; E119-W123 PolarHBondContact O-N 2.85Å; E119-W123 PolarHBondContact OE1-NE1 3.02Å; E119-W123 VanDerWaalsContact OE1-NE1 3.16Å; K120-W123 PolarHBondContact O-N 3.03Å; K120-W123 VanDerWaalsContact O-N 3.17Å; D121-W123 PolarHBondContact O-N 2.89Å; W123-N125 VanDerWaalsContact C-N 3.34Å; W123-N125 PolarHBondContact O-N 2.84Å; W123-I126 HydrophobicContact CE3-CG2 4.19Å; W123-I126 WeakPolarHBondContact O-CG2 3.45Å; W123-L127 HydrophobicContact CE3-CD1 4.46Å; W123-L127 HydrophobicContact CE3-CG 4.49Å; W123-L127 VanDerWaalsContact O-CB 3.23Å; W123-L127 WeakPolarHBondContact O-CB 3.33Å; W123-L127 WeakPolarHBondContact O-CD1 3.36Å; W123-L127 WeakPolarHBondContact O-CG 3.35Å; W123-L127 PolarHBondContact O-N 3.44Å |
| 124 | I | 95.5 | Very high | 94.1 | Very high | 22 Ų | 22 | 46 Ų | 46 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 176.3 | -72.3 | 169.7 | 0 | 0 | 0 | 110.5 | C78 E80 F95 K120 D121 L127 N128 | C78-I124 WeakPolarHBondContact O-CG2 3.27Å; E80-I124 HydrophobicContact CB-CD1 4.13Å; F95-I124 HydrophobicContact CB-CD1 3.82Å; F95-I124 HydrophobicContact CB-CG1 3.95Å; F95-I124 HydrophobicContact CD2-CG1 4.21Å; F95-I124 HydrophobicContact CG-CD1 4.49Å; F95-I124 HydrophobicContact CG-CG1 4.18Å; K120-I124 HydrophobicContact CD-CD1 3.79Å; K120-I124 HydrophobicContact CG-CD1 3.81Å; K120-I124 HydrophobicContact CG-CG1 4.43Å; K120-I124 WeakPolarHBondContact O-CG1 3.41Å; K120-I124 PolarHBondContact O-N 2.65Å; D121-I124 PolarHBondContact O-N 2.99Å; I124-L127 PolarHBondContact O-N 3.19Å; I124-N128 WeakPolarHBondContact CG2-ND2 3.47Å; I124-N128 WeakPolarHBondContact O-CB 3.46Å; I124-N128 PolarHBondContact O-N 3.49Å; I124-N128 PolarHBondContact O-ND2 3.1Å |
| 125 | N | 96 | Very high | 93.8 | Very high | 107 Ų | 107 | 50.2 Ų | 50.2 | 57% | 0.572 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.4 | -49.1 | -177 | -171.8 | 19.7 | 0 | 0 | 0 | 112.3 | D121 W123 L127 N128 T129 | D121-N125 WeakPolarHBondContact O-CB 3.4Å; D121-N125 PolarHBondContact O-N 3.24Å; W123-N125 VanDerWaalsContact C-N 3.34Å; W123-N125 PolarHBondContact O-N 2.84Å; N125-L127 PolarHBondContact O-N 2.95Å; N125-N128 PolarHBondContact O-N 3.33Å; N125-T129 WeakPolarHBondContact O-CB 3.33Å; N125-T129 PolarHBondContact O-N 3.26Å; N125-T129 PolarHBondContact O-OG1 2.91Å |
| 126 | I | 96.3 | Very high | 93.6 | Very high | 46 Ų | 46 | 48 Ų | 48 | 24% | 0.236 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.8 | -37.3 | -179.1 | -159.4 | 70.8 | 0 | 0 | 0 | 111.6 | K24 L48 S122 W123 T129 A130 | K24-I126 HydrophobicContact CB-CG1 4.48Å; K24-I126 HydrophobicContact CB-CG2 4.23Å; K24-I126 HydrophobicContact CD-CG2 3.73Å; L48-I126 HydrophobicContact CD2-CB 4.16Å; L48-I126 HydrophobicContact CD2-CG1 3.55Å; L48-I126 HydrophobicContact CD2-CG2 3.7Å; S122-I126 WeakPolarHBondContact O-CG2 3.48Å; S122-I126 PolarHBondContact O-N 3.05Å; W123-I126 HydrophobicContact CE3-CG2 4.19Å; W123-I126 WeakPolarHBondContact O-CG2 3.45Å; I126-T129 PolarHBondContact O-N 2.93Å; I126-A130 WeakPolarHBondContact O-CB 3.35Å; I126-A130 PolarHBondContact O-N 2.86Å |
| 127 | L | 96.5 | Very high | 93 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67 | -42.3 | 176.7 | -73.2 | 169.6 | 0 | 0 | 0 | 111.6 | L48 L53 L72 C78 F95 W123 I124 N125 T129 A130 I131 | L48-L127 HydrophobicContact CD1-CD2 4.29Å; L48-L127 HydrophobicContact CD2-CD2 4.39Å; L53-L127 HydrophobicContact CD1-CD2 3.91Å; L53-L127 HydrophobicContact CD2-CD2 3.97Å; L53-L127 HydrophobicContact CG-CD2 4.47Å; L72-L127 HydrophobicContact CD2-CD2 4.19Å; C78-L127 HydrophobicContact CB-CB 3.91Å; C78-L127 HydrophobicContact CB-CD1 4.47Å; F95-L127 HydrophobicContact CE2-CD1 3.99Å; W123-L127 HydrophobicContact CE3-CD1 4.46Å; W123-L127 HydrophobicContact CE3-CG 4.49Å; W123-L127 VanDerWaalsContact O-CB 3.23Å; W123-L127 WeakPolarHBondContact O-CB 3.33Å; W123-L127 WeakPolarHBondContact O-CD1 3.36Å; W123-L127 WeakPolarHBondContact O-CG 3.35Å; W123-L127 PolarHBondContact O-N 3.44Å; I124-L127 PolarHBondContact O-N 3.19Å; N125-L127 PolarHBondContact O-N 2.95Å; L127-T129 VanDerWaalsContact C-N 3.34Å; L127-T129 PolarHBondContact O-N 3.06Å; L127-A130 PolarHBondContact O-N 3.13Å; L127-I131 WeakPolarHBondContact O-CB 3.18Å; L127-I131 WeakPolarHBondContact O-CD1 3.43Å; L127-I131 WeakPolarHBondContact O-CG1 3.39Å; L127-I131 PolarHBondContact O-N 3.07Å |
| 128 | N | 96.2 | Very high | 91.8 | Very high | 46 Ų | 46 | 58.4 Ų | 58.4 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 176.2 | -77.6 | -30 | 0 | 0 | 0 | 112.2 | C78 I124 N125 T132 | C78-N128 WeakPolarHBondContact CA-OD1 3.36Å; C78-N128 WeakPolarHBondContact CB-OD1 3.1Å; C78-N128 PolarHBondContact N-OD1 3Å; C78-N128 PolarHBondContact O-ND2 3.08Å; C78-N128 PolarHBondContact O-OD1 3.35Å; I124-N128 WeakPolarHBondContact CG2-ND2 3.47Å; I124-N128 WeakPolarHBondContact O-CB 3.46Å; I124-N128 PolarHBondContact O-N 3.49Å; I124-N128 PolarHBondContact O-ND2 3.1Å; N125-N128 PolarHBondContact O-N 3.33Å; N128-T132 WeakPolarHBondContact O-CB 3.33Å; N128-T132 PolarHBondContact O-N 2.86Å; N128-T132 PolarHBondContact O-OG1 3.49Å |
| 129 | T | 95.1 | Very high | 90.3 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 39% | 0.387 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 173.2 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | N125 I126 L127 T132 R133 | N125-T129 WeakPolarHBondContact O-CB 3.33Å; N125-T129 PolarHBondContact O-N 3.26Å; N125-T129 PolarHBondContact O-OG1 2.91Å; I126-T129 PolarHBondContact O-N 2.93Å; L127-T129 VanDerWaalsContact C-N 3.34Å; L127-T129 PolarHBondContact O-N 3.06Å; T129-T132 PolarHBondContact O-N 2.96Å; T129-R133 WeakPolarHBondContact O-CB 3.24Å; T129-R133 PolarHBondContact O-N 2.88Å |
| 130 | A | 94.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.8 | -40 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L48 L72 I126 L127 T132 R133 A134 | L48-A130 HydrophobicContact CD1-CB 4.08Å; L48-A130 HydrophobicContact CD2-CB 4.17Å; L72-A130 HydrophobicContact CD1-CB 3.42Å; L72-A130 VanDerWaalsContact CD1-CB 3.42Å; I126-A130 WeakPolarHBondContact O-CB 3.35Å; I126-A130 PolarHBondContact O-N 2.86Å; L127-A130 PolarHBondContact O-N 3.13Å; A130-T132 VanDerWaalsContact C-N 3.33Å; A130-T132 PolarHBondContact O-N 2.81Å; A130-R133 PolarHBondContact O-N 3.38Å; A130-A134 WeakPolarHBondContact O-CB 3.27Å; A130-A134 PolarHBondContact O-N 3.3Å |
| 131 | I | 94.3 | Very high | 87 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 173.1 | -68.4 | 161.4 | 0 | 0 | 0 | 110.8 | L72 Y75 E76 C78 L97 L127 R133 A134 K135 | L72-I131 HydrophobicContact CB-CG1 4.02Å; L72-I131 HydrophobicContact CD2-CG1 4.17Å; Y75-I131 WeakPolarHBondContact O-CG2 3.2Å; E76-I131 WeakPolarHBondContact O-CG2 3.34Å; C78-I131 HydrophobicContact CB-CD1 4.43Å; L97-I131 HydrophobicContact CD1-CD1 3.68Å; L127-I131 WeakPolarHBondContact O-CB 3.18Å; L127-I131 WeakPolarHBondContact O-CD1 3.43Å; L127-I131 WeakPolarHBondContact O-CG1 3.39Å; L127-I131 PolarHBondContact O-N 3.07Å; I131-R133 VanDerWaalsContact C-N 3.32Å; I131-R133 PolarHBondContact O-N 2.98Å; I131-A134 PolarHBondContact O-N 3.47Å; I131-K135 HydrophobicContact CG2-CD 4Å; I131-K135 HydrophobicContact CG2-CG 4.47Å; I131-K135 WeakPolarHBondContact O-CB 3.47Å; I131-K135 WeakPolarHBondContact O-CG 3.4Å; I131-K135 PolarHBondContact O-N 3.05Å |
| 132 | T | 93.4 | Very high | 85.3 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | N128 T129 A130 N136 | N128-T132 WeakPolarHBondContact O-CB 3.33Å; N128-T132 PolarHBondContact O-N 2.86Å; N128-T132 PolarHBondContact O-OG1 3.49Å; T129-T132 PolarHBondContact O-N 2.96Å; A130-T132 VanDerWaalsContact C-N 3.33Å; A130-T132 PolarHBondContact O-N 2.81Å; T132-N136 WeakPolarHBondContact CG2-ND2 3.39Å; T132-N136 WeakPolarHBondContact O-CB 3.4Å; T132-N136 PolarHBondContact O-N 3.17Å; T132-N136 PolarHBondContact O-ND2 2.82Å |
| 133 | R | 91.5 | Very high | 83.2 | Confident | 90 Ų | 90 | 70.9 Ų | 70.9 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -51.2 | 174.4 | -169.3 | -166.8 | -56.5 | 141.1 | -5.5 | 111.8 | D23 T129 A130 I131 K135 N136 R137 | D23-R133 IonicContact OD2-NH1 3.42Å; T129-R133 WeakPolarHBondContact O-CB 3.24Å; T129-R133 PolarHBondContact O-N 2.88Å; A130-R133 PolarHBondContact O-N 3.38Å; I131-R133 VanDerWaalsContact C-N 3.32Å; I131-R133 PolarHBondContact O-N 2.98Å; R133-K135 VanDerWaalsContact C-N 3.28Å; R133-K135 PolarHBondContact O-N 3.34Å; R133-N136 CarbonylContact O-C 3.41Å; R133-N136 PolarHBondContact O-N 3.32Å; R133-N136 VanDerWaalsContact O-N 3.08Å; R133-R137 PolarHBondContact O-N 2.86Å |
| 134 | A | 91.4 | Very high | 81.4 | Confident | 12 Ų | 12 | 74.5 Ų | 74.5 | 10% | 0.099 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.5 | -42 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | D51 L72 A130 I131 R137 | D51-A134 HydrophobicContact CB-CB 3.73Å; L72-A134 HydrophobicContact CB-CB 4.3Å; A130-A134 WeakPolarHBondContact O-CB 3.27Å; A130-A134 PolarHBondContact O-N 3.3Å; I131-A134 PolarHBondContact O-N 3.47Å; A134-R137 WeakPolarHBondContact O-CB 3.4Å; A134-R137 PolarHBondContact O-N 3.35Å |
| 135 | K | 88.5 | Confident | 79.7 | Confident | 91 Ų | 91 | 78 Ų | 78 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.3 | -34.3 | 177.5 | -74.8 | 178.1 | 169.6 | -178.1 | 0 | 113.6 | Y75 E76 I131 R133 R137 | Y75-K135 WeakPolarHBondContact O-CE 3.46Å; E76-K135 VanDerWaalsContact CA-NZ 3.34Å; E76-K135 PolarHBondContact O-NZ 2.79Å; I131-K135 HydrophobicContact CG2-CD 4Å; I131-K135 HydrophobicContact CG2-CG 4.47Å; I131-K135 WeakPolarHBondContact O-CB 3.47Å; I131-K135 WeakPolarHBondContact O-CG 3.4Å; I131-K135 PolarHBondContact O-N 3.05Å; R133-K135 VanDerWaalsContact C-N 3.28Å; R133-K135 PolarHBondContact O-N 3.34Å; K135-R137 VanDerWaalsContact C-N 3.31Å |
| 136 | N | 86.2 | Confident | 77.9 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 33% | 0.332 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 10.2 | 179.1 | -66.6 | -59.2 | 0 | 0 | 0 | 112.8 | T132 R133 I138 L139 D140 | T132-N136 WeakPolarHBondContact CG2-ND2 3.39Å; T132-N136 WeakPolarHBondContact O-CB 3.4Å; T132-N136 PolarHBondContact O-N 3.17Å; T132-N136 PolarHBondContact O-ND2 2.82Å; R133-N136 CarbonylContact O-C 3.41Å; R133-N136 PolarHBondContact O-N 3.32Å; R133-N136 VanDerWaalsContact O-N 3.08Å; N136-I138 PolarHBondContact O-N 2.9Å; N136-I138 VanDerWaalsContact O-N 3.09Å; N136-L139 CarbonylContact O-C 3.6Å; N136-L139 WeakPolarHBondContact O-CA 3.22Å; N136-L139 WeakPolarHBondContact O-CB 3.37Å; N136-L139 PolarHBondContact O-N 3.47Å; N136-D140 PolarHBondContact O-N 2.76Å |
| 137 | R | 79.7 | Confident | 76.3 | Confident | 143 Ų | 143 | 80.8 Ų | 80.8 | 54% | 0.54 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -52.2 | -37.1 | -179.2 | -178.2 | 175.8 | 168.1 | -175.5 | -2.6 | 113.3 | R133 A134 K135 L139 D140 E141 | R133-R137 PolarHBondContact O-N 2.86Å; A134-R137 WeakPolarHBondContact O-CB 3.4Å; A134-R137 PolarHBondContact O-N 3.35Å; K135-R137 VanDerWaalsContact C-N 3.31Å; R137-L139 VanDerWaalsContact C-N 3.3Å; R137-L139 PolarHBondContact O-N 3.38Å; R137-D140 PolarHBondContact O-N 2.85Å; R137-E141 HydrophobicContact CG-CG 4.44Å; R137-E141 IonicContact CZ-OE1 3.88Å; R137-E141 IonicContact NE-OE1 3.82Å; R137-E141 PolarHBondContact NE-OE1 3.07Å; R137-E141 IonicContact NH2-OE1 2.76Å; R137-E141 PolarHBondContact NH2-OE1 3.23Å; R137-E141 WeakPolarHBondContact O-CB 3.48Å; R137-E141 WeakPolarHBondContact O-CG 3.35Å; R137-E141 PolarHBondContact O-N 2.97Å |
| 138 | I | 65.1 | Low | 74.5 | Confident | 135 Ų | 135 | 87.7 Ų | 87.7 | 69% | 0.692 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.3 | -34.8 | 177.1 | -59.5 | 169.9 | 0 | 0 | 0 | 111.5 | N136 V142 | N136-I138 PolarHBondContact O-N 2.9Å; N136-I138 VanDerWaalsContact O-N 3.09Å; I138-V142 WeakPolarHBondContact O-CG2 3.24Å |
| 139 | L | 62.3 | Low | 72.9 | Confident | 116 Ų | 116 | 90.8 Ų | 90.8 | 61% | 0.607 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -81.7 | -34.7 | 178.5 | -60.4 | 177 | 0 | 0 | 0 | 111.7 | N136 R137 V142 | N136-L139 CarbonylContact O-C 3.6Å; N136-L139 WeakPolarHBondContact O-CA 3.22Å; N136-L139 WeakPolarHBondContact O-CB 3.37Å; N136-L139 PolarHBondContact O-N 3.47Å; R137-L139 VanDerWaalsContact C-N 3.3Å; R137-L139 PolarHBondContact O-N 3.38Å; L139-V142 CarbonylContact O-C 3.33Å; L139-V142 PolarHBondContact O-N 3.28Å |
| 140 | D | 58.2 | Low | 71.7 | Confident | 82 Ų | 82 | 90.3 Ų | 90.3 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.5 | -33.2 | 175.8 | -72.2 | -12.9 | 0 | 0 | 0 | 111.8 | N136 R137 V142 M143 | N136-D140 PolarHBondContact O-N 2.76Å; R137-D140 PolarHBondContact O-N 2.85Å; D140-V142 VanDerWaalsContact C-N 3.26Å; D140-V142 PolarHBondContact O-N 3.23Å; D140-M143 VanDerWaalsContact O-CG 3.3Å; D140-M143 WeakPolarHBondContact O-CG 3.46Å; D140-M143 PolarHBondContact O-N 2.9Å |
| 141 | E | 60.5 | Low | 70.5 | Confident | 132 Ų | 132 | 97.1 Ų | 97.1 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.2 | -23.9 | 171.1 | -74 | 177.6 | -167.7 | 0 | 0 | 112.1 | R137 M143 | R137-E141 HydrophobicContact CG-CG 4.44Å; R137-E141 IonicContact CZ-OE1 3.88Å; R137-E141 IonicContact NE-OE1 3.82Å; R137-E141 PolarHBondContact NE-OE1 3.07Å; R137-E141 IonicContact NH2-OE1 2.76Å; R137-E141 PolarHBondContact NH2-OE1 3.23Å; R137-E141 WeakPolarHBondContact O-CB 3.48Å; R137-E141 WeakPolarHBondContact O-CG 3.35Å; R137-E141 PolarHBondContact O-N 2.97Å; E141-M143 PolarHBondContact O-N 2.86Å |
| 142 | V | 56.8 | Low | 69.5 | Low | 104 Ų | 104 | 105.4 Ų | 105.4 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 40.6 | 170.1 | -168.6 | 0 | 0 | 0 | 0 | 110.3 | I138 L139 D140 V144 | I138-V142 WeakPolarHBondContact O-CG2 3.24Å; L139-V142 CarbonylContact O-C 3.33Å; L139-V142 PolarHBondContact O-N 3.28Å; D140-V142 VanDerWaalsContact C-N 3.26Å; D140-V142 PolarHBondContact O-N 3.23Å; V142-V144 PolarHBondContact O-N 2.94Å |
| 143 | M | 53.1 | Low | 68.3 | Low | 151 Ų | 151 | 106.1 Ų | 106.1 | 74% | 0.744 | 55% | 0.547 | S | S | * | . | trans | -67.2 | 102.3 | 156.9 | -82.4 | 178.4 | 33.6 | 0 | 0 | 107.7 | D140 E141 D145 | D140-M143 VanDerWaalsContact O-CG 3.3Å; D140-M143 WeakPolarHBondContact O-CG 3.46Å; D140-M143 PolarHBondContact O-N 2.9Å; E141-M143 PolarHBondContact O-N 2.86Å; M143-D145 PolarHBondContact O-N 3Å | ||
| 144 | V | 58.7 | Low | 67.4 | Low | 76 Ų | 76 | 109.8 Ų | 109.8 | 46% | 0.461 | 56% | 0.561 | S | S | . | * | trans | -47.2 | 123.4 | 171.9 | 176 | 0 | 0 | 0 | 0 | 108.2 | V142 D146 Q148 L149 | V142-V144 PolarHBondContact O-N 2.94Å; V144-D146 PolarHBondContact O-N 3.06Å; V144-D146 VanDerWaalsContact O-N 3.11Å; V144-Q148 HydrophobicContact CG1-CB 4.16Å; V144-L149 HydrophobicContact CG1-CG 4.16Å | ||
| 145 | D | 59.3 | Low | 66.4 | Low | 97 Ų | 97 | 115.3 Ų | 115.3 | 52% | 0.519 | 59% | 0.589 | S | S | . | * | trans | -53.3 | 120 | 174.7 | -175.2 | 27.2 | 0 | 0 | 0 | 108.2 | M143 S147 Q148 | M143-D145 PolarHBondContact O-N 3Å; D145-S147 VanDerWaalsContact CG-OG 3.24Å; D145-S147 PolarHBondContact O-N 3.39Å; D145-S147 WeakPolarHBondContact OD2-CB 3.38Å; D145-S147 PolarHBondContact OD2-OG 3.16Å; D145-Q148 HydrophobicContact CB-CG 4.46Å; D145-Q148 WeakPolarHBondContact O-CB 3.18Å; D145-Q148 PolarHBondContact O-N 3.46Å | ||
| 146 | D | 58.8 | Low | 65.8 | Low | 132 Ų | 132 | 120.3 Ų | 120.3 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -17.1 | -176.5 | -79.5 | -27.7 | 0 | 0 | 0 | 112 | V144 Q148 L149 | V144-D146 PolarHBondContact O-N 3.06Å; V144-D146 VanDerWaalsContact O-N 3.11Å; D146-Q148 VanDerWaalsContact C-N 3.26Å; D146-Q148 PolarHBondContact O-N 3.45Å; D146-L149 PolarHBondContact O-N 3.42Å |
| 147 | S | 61.4 | Low | 65.1 | Low | 79 Ų | 79 | 123.5 Ų | 123.5 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -25.6 | 171.3 | 86.6 | 0 | 0 | 0 | 0 | 113.7 | D145 | D145-S147 VanDerWaalsContact CG-OG 3.24Å; D145-S147 PolarHBondContact O-N 3.39Å; D145-S147 WeakPolarHBondContact OD2-CB 3.38Å; D145-S147 PolarHBondContact OD2-OG 3.16Å |
| 148 | Q | 58.9 | Low | 64.7 | Low | 146 Ų | 146 | 125.3 Ų | 125.3 | 68% | 0.682 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -14.4 | 176.4 | -60 | -173.5 | 2.4 | 0 | 0 | 112.8 | V144 D145 D146 S150 | V144-Q148 HydrophobicContact CG1-CB 4.16Å; D145-Q148 HydrophobicContact CB-CG 4.46Å; D145-Q148 WeakPolarHBondContact O-CB 3.18Å; D145-Q148 PolarHBondContact O-N 3.46Å; D146-Q148 VanDerWaalsContact C-N 3.26Å; D146-Q148 PolarHBondContact O-N 3.45Å; Q148-S150 PolarHBondContact O-N 3.21Å |
| 149 | L | 63.6 | Low | 64.9 | Low | 111 Ų | 111 | 125 Ų | 125 | 58% | 0.581 | 64% | 0.637 | S | S | * | * | trans | -83.1 | 30.2 | 172.1 | -71.8 | 167.4 | 0 | 0 | 0 | 112.4 | V144 D146 H151 | V144-L149 HydrophobicContact CG1-CG 4.16Å; D146-L149 PolarHBondContact O-N 3.42Å; L149-H151 PolarHBondContact O-N 3.35Å | ||
| 150 | S | 70.4 | Confident | 65.1 | Low | 53 Ų | 53 | 123.7 Ų | 123.7 | 37% | 0.371 | 64% | 0.635 | S | S | . | * | trans | -71.7 | 118 | 167.7 | 60.6 | 0 | 0 | 0 | 0 | 108.8 | Q148 L152 | Q148-S150 PolarHBondContact O-N 3.21Å; S150-L152 PolarHBondContact O-N 3.06Å; S150-L152 VanDerWaalsContact O-N 3.16Å | ||
| 151 | H | 69.5 | Low | 65.3 | Low | 145 Ų | 145 | 127.3 Ų | 127.3 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | trans | -56 | 125.3 | 171.8 | -62.7 | -69 | 0 | 0 | 0 | 108.6 | L149 T153 R154 | L149-H151 PolarHBondContact O-N 3.35Å; H151-T153 PolarHBondContact O-N 2.89Å; H151-R154 HydrophobicContact CB-CB 4.4Å; H151-R154 WeakPolarHBondContact O-CB 3.14Å; H151-R154 PolarHBondContact O-N 3.09Å | ||
| 152 | L | 72.1 | Confident | 65.2 | Low | 176 Ų | 176 | 128.5 Ų | 128.5 | 92% | 0.921 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | -20.8 | 177.3 | -111.4 | 69 | 0 | 0 | 0 | 113.4 | S150 | S150-L152 PolarHBondContact O-N 3.06Å; S150-L152 VanDerWaalsContact O-N 3.16Å |
| 153 | T | 68.4 | Low | 65.8 | Low | 96 Ų | 96 | 133.8 Ų | 133.8 | 59% | 0.589 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -1.3 | 178.3 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | H151 D155 R156 | H151-T153 PolarHBondContact O-N 2.89Å; T153-D155 VanDerWaalsContact C-N 3.27Å; T153-D155 PolarHBondContact O-N 2.79Å; T153-R156 WeakPolarHBondContact O-CB 3.38Å; T153-R156 PolarHBondContact O-N 2.93Å |
| 154 | R | 72.3 | Confident | 66.7 | Low | 166 Ų | 166 | 136.7 Ų | 136.7 | 63% | 0.626 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -35.9 | -179.2 | -166.2 | -179.4 | 81.9 | 161.2 | 1.9 | 112.1 | H151 | H151-R154 HydrophobicContact CB-CB 4.4Å; H151-R154 WeakPolarHBondContact O-CB 3.14Å; H151-R154 PolarHBondContact O-N 3.09Å |
| 155 | D | 70.1 | Confident | 67.4 | Low | 129 Ų | 129 | 139.4 Ų | 139.4 | 69% | 0.69 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 4 | -178.2 | -53.3 | -26.7 | 0 | 0 | 0 | 111.9 | T153 V157 | T153-D155 VanDerWaalsContact C-N 3.27Å; T153-D155 PolarHBondContact O-N 2.79Å; D155-V157 PolarHBondContact O-N 3.14Å |
| 156 | R | 77.2 | Confident | 68 | Low | 196 Ų | 196 | 138.7 Ų | 138.7 | 74% | 0.74 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -64.9 | 132.1 | 171.3 | -161.5 | 175.9 | -172.7 | -171.5 | 2.5 | 107.9 | T153 K158 | T153-R156 WeakPolarHBondContact O-CB 3.38Å; T153-R156 PolarHBondContact O-N 2.93Å; R156-K158 PolarHBondContact O-N 3.02Å |
| 157 | V | 70.4 | Confident | 69 | Low | 128 Ų | 128 | 135.5 Ų | 135.5 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | trans | -45.9 | 113.1 | 179.7 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | D155 I159 | D155-V157 PolarHBondContact O-N 3.14Å; V157-I159 PolarHBondContact O-N 3.32Å | ||
| 158 | K | 71.3 | Confident | 69.7 | Low | 182 Ų | 182 | 141.5 Ų | 141.5 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | trans | -66.9 | 100.2 | 175.2 | -73.7 | -179.6 | 179.2 | 176.6 | 0 | 107.4 | R156 P160 | R156-K158 PolarHBondContact O-N 3.02Å; K158-P160 WeakPolarHBondContact O-CD 3.49Å | ||
| 159 | I | 70.3 | Confident | 70.5 | Confident | 128 Ų | 128 | 136.8 Ų | 136.8 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | trans | -59.6 | 123.1 | 172.9 | -57.2 | 172.2 | 0 | 0 | 0 | 106.2 | V157 H161 | V157-I159 PolarHBondContact O-N 3.32Å; I159-H161 PolarHBondContact O-N 3.09Å; I159-H161 VanDerWaalsContact O-N 3.16Å; I159-H161 PolarHBondContact O-ND1 3.29Å | ||
| 160 | P | 66.4 | Low | 71.1 | Confident | 88 Ų | 88 | 137.7 Ų | 137.7 | 57% | 0.571 | 67% | 0.671 | S | S | * | * | trans | -57.8 | 125.6 | 178.9 | 21.1 | -30.7 | 0 | 0 | 0 | 108.7 | K158 N162 | K158-P160 WeakPolarHBondContact O-CD 3.49Å; P160-N162 PolarHBondContact O-N 2.78Å | ||
| 161 | H | 62.2 | Low | 71.5 | Confident | 159 Ų | 159 | 140.6 Ų | 140.6 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 15.7 | -178.4 | -68.9 | 61.1 | 0 | 0 | 0 | 112.9 | I159 R163 | I159-H161 PolarHBondContact O-N 3.09Å; I159-H161 VanDerWaalsContact O-N 3.16Å; I159-H161 PolarHBondContact O-ND1 3.29Å; H161-R163 PolarHBondContact O-N 3.09Å |
| 162 | N | 59 | Low | 71.6 | Confident | 156 Ų | 156 | 138.6 Ų | 138.6 | 83% | 0.834 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -4.9 | 172.8 | -65.2 | -30.7 | 0 | 0 | 0 | 112.3 | P160 | P160-N162 PolarHBondContact O-N 2.78Š|
| 163 | R | 68.9 | Low | 71.3 | Confident | 216 Ų | 216 | 132.7 Ų | 132.7 | 82% | 0.815 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -96.8 | 120.9 | 160.6 | -68.1 | -172.9 | -170.1 | -172.1 | 3.2 | 108.6 | H161 L165 | H161-R163 PolarHBondContact O-N 3.09Å; R163-L165 PolarHBondContact O-N 3.07Å |
| 164 | R | 70.8 | Confident | 71.1 | Confident | 212 Ų | 212 | 132.9 Ų | 132.9 | 80% | 0.8 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 128.3 | 174.3 | -168.6 | 177.5 | -176.4 | -174.9 | 2.1 | 109.5 | ||
| 165 | L | 73.4 | Confident | 70.5 | Confident | 133 Ų | 133 | 127.2 Ų | 127.2 | 70% | 0.696 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 139.4 | 172.2 | -72.5 | 165.8 | 0 | 0 | 0 | 108.9 | R163 T167 | R163-L165 PolarHBondContact O-N 3.07Å; L165-T167 PolarHBondContact O-N 3.37Å |
| 166 | P | 73.4 | Confident | 69.9 | Low | 82 Ų | 82 | 125.1 Ų | 125.1 | 53% | 0.532 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 119.4 | 178.9 | -24.7 | 32.7 | 0 | 0 | 0 | 110 | H170 L171 | P166-H170 HydrophobicContact CB-CB 4.15Å; P166-L171 HydrophobicContact CB-CD2 4.03Å; P166-L171 HydrophobicContact CB-CG 4.15Å |
| 167 | T | 79.3 | Confident | 68.9 | Low | 65 Ų | 65 | 119.9 Ų | 119.9 | 40% | 0.399 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 152.5 | 178 | -36.5 | 0 | 0 | 0 | 0 | 109 | L165 G169 H170 L171 | L165-T167 PolarHBondContact O-N 3.37Å; T167-G169 PolarHBondContact O-N 3.24Å; T167-H170 WeakPolarHBondContact O-CA 3.41Å; T167-H170 WeakPolarHBondContact O-CB 3.15Å; T167-H170 PolarHBondContact O-N 2.86Å; T167-L171 PolarHBondContact O-N 2.87Å; T167-L171 VanDerWaalsContact O-N 3.15Å |
| 168 | R | 75.2 | Confident | 68 | Low | 204 Ų | 204 | 118.7 Ų | 118.7 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -45 | -37.1 | 173.9 | -175.7 | -179.5 | 175 | -158.3 | -1.1 | 113 | L171 L172 | R168-L171 PolarHBondContact O-N 3.46Å; R168-L172 HydrophobicContact CG-CD1 4.07Å; R168-L172 WeakPolarHBondContact O-CB 3.43Å; R168-L172 VanDerWaalsContact O-CG 3.23Å; R168-L172 WeakPolarHBondContact O-CG 3.41Å; R168-L172 PolarHBondContact O-N 3.1Å |
| 169 | G | 75.8 | Confident | 67.2 | Low | 48 Ų | 48 | 115.1 Ų | 115.1 | 50% | 0.495 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.5 | -35.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T167 L172 A173 | T167-G169 PolarHBondContact O-N 3.24Å; G169-L172 PolarHBondContact O-N 3.28Å; G169-A173 WeakPolarHBondContact O-CB 3.16Å; G169-A173 PolarHBondContact O-N 2.65Å |
| 170 | H | 77.3 | Confident | 66.3 | Low | 130 Ų | 130 | 113.4 Ų | 113.4 | 60% | 0.602 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.6 | -42.9 | 173.1 | -99.6 | 85.1 | 0 | 0 | 0 | 111.5 | P166 T167 L172 A173 V174 | P166-H170 HydrophobicContact CB-CB 4.15Å; T167-H170 WeakPolarHBondContact O-CA 3.41Å; T167-H170 WeakPolarHBondContact O-CB 3.15Å; T167-H170 PolarHBondContact O-N 2.86Å; H170-L172 VanDerWaalsContact C-N 3.33Å; H170-L172 PolarHBondContact O-N 3.37Å; H170-A173 PolarHBondContact O-N 3.23Å; H170-V174 WeakPolarHBondContact O-CG2 3.28Å; H170-V174 PolarHBondContact O-N 3.21Å; H170-V174 VanDerWaalsContact O-N 3.1Å |
| 171 | L | 78.4 | Confident | 65.6 | Low | 114 Ų | 114 | 116.9 Ų | 116.9 | 60% | 0.597 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.7 | -41.1 | 176.7 | -66.3 | 174.6 | 0 | 0 | 0 | 111.4 | P166 T167 R168 G175 | P166-L171 HydrophobicContact CB-CD2 4.03Å; P166-L171 HydrophobicContact CB-CG 4.15Å; T167-L171 PolarHBondContact O-N 2.87Å; T167-L171 VanDerWaalsContact O-N 3.15Å; R168-L171 PolarHBondContact O-N 3.46Å; L171-G175 PolarHBondContact O-N 2.83Å; L171-G175 VanDerWaalsContact O-N 3.08Å |
| 172 | L | 71.4 | Confident | 65.2 | Low | 102 Ų | 102 | 112.7 Ų | 112.7 | 53% | 0.534 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.2 | -37 | 175.1 | -70 | 170.9 | 0 | 0 | 0 | 112 | R168 G169 H170 G175 S176 | R168-L172 HydrophobicContact CG-CD1 4.07Å; R168-L172 WeakPolarHBondContact O-CB 3.43Å; R168-L172 VanDerWaalsContact O-CG 3.23Å; R168-L172 WeakPolarHBondContact O-CG 3.41Å; R168-L172 PolarHBondContact O-N 3.1Å; G169-L172 PolarHBondContact O-N 3.28Å; H170-L172 VanDerWaalsContact C-N 3.33Å; H170-L172 PolarHBondContact O-N 3.37Å; L172-G175 PolarHBondContact O-N 2.81Å; L172-S176 VanDerWaalsContact O-CB 3.26Å; L172-S176 WeakPolarHBondContact O-CB 3.2Å; L172-S176 PolarHBondContact O-N 3.19Å; L172-S176 PolarHBondContact O-OG 3.3Å |
| 173 | A | 66.9 | Low | 64.8 | Low | 53 Ų | 53 | 112.8 Ų | 112.8 | 44% | 0.438 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -62.9 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G169 H170 S176 T177 | G169-A173 WeakPolarHBondContact O-CB 3.16Å; G169-A173 PolarHBondContact O-N 2.65Å; H170-A173 PolarHBondContact O-N 3.23Å; A173-S176 PolarHBondContact O-N 3.21Å; A173-T177 WeakPolarHBondContact O-CG2 3.23Å; A173-T177 PolarHBondContact O-N 2.86Å; A173-T177 PolarHBondContact O-OG1 3Å |
| 174 | V | 63.6 | Low | 64.1 | Low | 100 Ų | 100 | 110.1 Ų | 110.1 | 61% | 0.606 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.8 | -38.9 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | H170 S176 T177 S178 | H170-V174 WeakPolarHBondContact O-CG2 3.28Å; H170-V174 PolarHBondContact O-N 3.21Å; H170-V174 VanDerWaalsContact O-N 3.1Å; V174-S176 VanDerWaalsContact C-N 3.35Å; V174-T177 WeakPolarHBondContact CA-OG1 3.41Å; V174-T177 PolarHBondContact O-N 3Å; V174-T177 PolarHBondContact O-OG1 3.42Å; V174-S178 PolarHBondContact O-N 3.46Å |
| 175 | G | 60.2 | Low | 63.1 | Low | 47 Ų | 47 | 105.7 Ų | 105.7 | 49% | 0.485 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.1 | -37.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L171 L172 S178 | L171-G175 PolarHBondContact O-N 2.83Å; L171-G175 VanDerWaalsContact O-N 3.08Å; L172-G175 PolarHBondContact O-N 2.81Å; G175-S178 PolarHBondContact O-N 2.81Å |
| 176 | S | 57 | Low | 62 | Low | 84 Ų | 84 | 107 Ų | 107 | 59% | 0.587 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75.1 | -29.2 | 177.8 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | L172 A173 V174 S178 | L172-S176 VanDerWaalsContact O-CB 3.26Å; L172-S176 WeakPolarHBondContact O-CB 3.2Å; L172-S176 PolarHBondContact O-N 3.19Å; L172-S176 PolarHBondContact O-OG 3.3Å; A173-S176 PolarHBondContact O-N 3.21Å; V174-S176 VanDerWaalsContact C-N 3.35Å; S176-S178 VanDerWaalsContact C-N 3.25Å |
| 177 | T | 55.3 | Low | 60.9 | Low | 87 Ų | 87 | 110.4 Ų | 110.4 | 53% | 0.534 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -73.6 | -20.1 | 169.8 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | A173 V174 S179 | A173-T177 WeakPolarHBondContact O-CG2 3.23Å; A173-T177 PolarHBondContact O-N 2.86Å; A173-T177 PolarHBondContact O-OG1 3Å; V174-T177 WeakPolarHBondContact CA-OG1 3.41Å; V174-T177 PolarHBondContact O-N 3Å; V174-T177 PolarHBondContact O-OG1 3.42Å; T177-S179 VanDerWaalsContact C-N 3.3Å; T177-S179 PolarHBondContact O-N 3.29Å |
| 178 | S | 52.3 | Low | 59.4 | Low | 103 Ų | 103 | 114.6 Ų | 114.6 | 72% | 0.72 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 0.9 | -178.5 | -159.1 | 0 | 0 | 0 | 0 | 114.2 | V174 G175 S176 | V174-S178 PolarHBondContact O-N 3.46Å; G175-S178 PolarHBondContact O-N 2.81Å; S176-S178 VanDerWaalsContact C-N 3.25Å |
| 179 | S | 53.5 | Low | 57.9 | Low | 106 Ų | 106 | 112 Ų | 112 | 74% | 0.741 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 12.6 | 173.3 | 85.2 | 0 | 0 | 0 | 0 | 114.3 | T177 | T177-S179 VanDerWaalsContact C-N 3.3Å; T177-S179 PolarHBondContact O-N 3.29Å |
| 180 | S | 51.3 | Low | 56.3 | Low | 93 Ų | 93 | 118 Ų | 118 | 65% | 0.65 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -111.2 | 122 | 170.3 | -169.2 | 0 | 0 | 0 | 0 | 109.6 | G182 | S180-G182 PolarHBondContact O-N 3.5Å; S180-G182 VanDerWaalsContact O-N 3.08Å |
| 181 | D | 53.4 | Low | 54.9 | Low | 160 Ų | 160 | 119.9 Ų | 119.9 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | trans | -43 | 106 | 178.6 | -153.6 | 7.7 | 0 | 0 | 0 | 112.3 | M183 | D181-M183 PolarHBondContact O-N 3.16Š| ||
| 182 | G | 53.7 | Low | 53 | Low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 57.8 | 24.7 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | S180 | S180-G182 PolarHBondContact O-N 3.5Å; S180-G182 VanDerWaalsContact O-N 3.08Å |
| 183 | M | 50.7 | Low | 51.6 | Low | 158 Ų | 158 | 125.4 Ų | 125.4 | 78% | 0.778 | 72% | 0.723 | S | S | * | * | trans | -144.6 | 98.6 | 170.6 | -72.5 | -171.2 | 59.9 | 0 | 0 | 113.8 | D181 T185 | D181-M183 PolarHBondContact O-N 3.16Å; M183-T185 HydrophobicContact CE-CG2 4.43Å | ||
| 184 | L | 53.7 | Low | 49.9 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -103.5 | 90.4 | 160.5 | -84.8 | 163.7 | 0 | 0 | 0 | 108.3 | L186 | L184-L186 PolarHBondContact O-N 2.76Š| ||
| 185 | T | 49.2 | Very low | 48.4 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | trans | -75.4 | 109.6 | 162.9 | 36.9 | 0 | 0 | 0 | 0 | 108.2 | M183 D187 | M183-T185 HydrophobicContact CE-CG2 4.43Å; T185-D187 PolarHBondContact O-N 3.02Å; T185-D187 VanDerWaalsContact O-N 3.16Å | ||
| 186 | L | 50.1 | Low | 47.2 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -59.9 | 111.3 | 166.9 | -77.2 | 158.9 | 0 | 0 | 0 | 108.3 | L184 L188 | L184-L186 PolarHBondContact O-N 2.76Å; L186-L188 VanDerWaalsContact C-N 3.35Å; L186-L188 PolarHBondContact O-N 3.09Å | ||
| 187 | D | 51.3 | Low | 46.1 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -74.2 | 92.5 | 172.4 | -150.3 | 13.6 | 0 | 0 | 0 | 107.7 | T185 I189 | T185-D187 PolarHBondContact O-N 3.02Å; T185-D187 VanDerWaalsContact O-N 3.16Å; D187-I189 PolarHBondContact O-N 3.39Å | ||
| 188 | L | 48.1 | Very low | 45 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | -75.1 | 103.3 | 169 | -73.5 | 168 | 0 | 0 | 0 | 106.5 | L186 Q190 | L186-L188 VanDerWaalsContact C-N 3.35Å; L186-L188 PolarHBondContact O-N 3.09Å; L188-Q190 PolarHBondContact O-N 3.34Å | ||
| 189 | I | 42.7 | Very low | 44 | Very low | 149 Ų | 149 | 140 Ų | 140 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -59 | 104.7 | 168.6 | -53.3 | 168.5 | 0 | 0 | 0 | 106.6 | D187 E191 | D187-I189 PolarHBondContact O-N 3.39Å; I189-E191 PolarHBondContact O-N 2.89Å | ||
| 190 | Q | 41.8 | Very low | 43 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -80.7 | 99.9 | 170.5 | -173.6 | 169 | 2.8 | 0 | 0 | 107.5 | L188 E192 | L188-Q190 PolarHBondContact O-N 3.34Å; Q190-E192 PolarHBondContact O-N 2.95Å | ||
| 191 | E | 48.3 | Very low | 42.2 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -69.6 | 113.6 | 158.3 | -62.3 | -175 | 165.6 | 0 | 0 | 107.2 | I189 | I189-E191 PolarHBondContact O-N 2.89Š| ||
| 192 | E | 38.5 | Very low | 41.2 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | 179.5 | 109.8 | 141.4 | -99.2 | 177.7 | 142.6 | 0 | 0 | 112.5 | Q190 | Q190-E192 PolarHBondContact O-N 2.95Š| ||
| 193 | D | 42.2 | Very low | 40.3 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | 24 | 115.9 | 137 | -150.7 | 11.2 | 0 | 0 | 0 | 120.8 | ||||
| 194 | S | 32 | Very low | 40.2 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | -174.4 | 135.9 | 127.2 | 21.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 195 | A | 30.9 | Very low | 39.6 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -69.1 | 151 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 196 | S | 34.5 | Very low | 38.7 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | 172.1 | 110.7 | 123.8 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 197 | H | 34.8 | Very low | 38.3 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | 49.2 | 139.1 | 133.5 | -91.9 | -82.1 | 0 | 0 | 0 | 126.3 | ||||
| 198 | K | 31.2 | Very low | 37.6 | Very low | 202 Ų | 202 | 144.3 Ų | 144.3 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | trans | 81.2 | 121.8 | 159.3 | -77.2 | -177.1 | 170.9 | -174.4 | 0 | 116.4 | ||||
| 199 | G | 31.2 | Very low | 36.9 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | cis | 118.8 | 110.3 | 12.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 200 | I | 33.1 | Very low | 37.4 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | trans | -179.3 | 135.1 | 141.2 | -89.7 | 151.5 | 0 | 0 | 0 | 108.5 | ||||
| 201 | A | 34.5 | Very low | 36.8 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -97.2 | 153 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 202 | S | 31.9 | Very low | 36.3 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -165 | 144 | 146 | 37.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 203 | E | 35.3 | Very low | 36.3 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -76 | 171.7 | -159.4 | -105.3 | -150.6 | 125.1 | 0 | 0 | 118.3 | ||||
| 204 | P | 48.2 | Very low | 36 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 66% | 0.656 | 81% | 0.81 | S | S | * | * | trans | -94.7 | -179.9 | -175.3 | 40.1 | -33.5 | 0 | 0 | 0 | 113.7 | ||||
| 205 | P | 42 | Very low | 36.2 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | -152.8 | 167.8 | 112.9 | 35.4 | -16.1 | 0 | 0 | 0 | 117.9 | |||||
| 206 | A | 30.8 | Very low | 36.3 | Very low | 97 Ų | 97 | 140 Ų | 140 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | 90.8 | 102 | 147.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 207 | R | 40.1 | Very low | 36.2 | Very low | 242 Ų | 242 | 139.2 Ų | 139.2 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -81 | 157.5 | 146 | -65.7 | -178.2 | 178.1 | -172.1 | -0.5 | 109.3 | ||||
| 208 | P | 38.2 | Very low | 36 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | -142.3 | 142.1 | 108.7 | 23.5 | -3.5 | 0 | 0 | 0 | 114.1 | |||||
| 209 | G | 31.7 | Very low | 35.9 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -95.7 | -164.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 210 | P | 53.4 | Low | 36 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -124 | 179.8 | -0.5 | 24.8 | 1.7 | 0 | 0 | 0 | 110.8 | ||||
| 211 | D | 29.8 | Very low | 36.1 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | -174.8 | 139.1 | 94.3 | -85.4 | -29.9 | 0 | 0 | 0 | 112.4 | |||||
| 212 | C | 37.5 | Very low | 35.9 | Very low | 116 Ų | 116 | 132 Ų | 132 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | -86.9 | 169.6 | 163.6 | -63.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 213 | P | 37.8 | Very low | 35.9 | Very low | 133 Ų | 133 | 132 Ų | 132 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | -131.1 | 137.4 | 124 | 33.1 | -22.2 | 0 | 0 | 0 | 112.7 | |||||
| 214 | R | 37 | Very low | 35.7 | Very low | 238 Ų | 238 | 132.6 Ų | 132.6 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -125.7 | 126.2 | 169.8 | -170.3 | -173.1 | -167.9 | -173.5 | 4 | 106.8 | ||||
| 215 | S | 35.4 | Very low | 34.8 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -150.2 | 110.1 | 161.8 | -41.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 216 | Q | 32.8 | Very low | 34.2 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | 75.5 | 135.7 | 91.3 | -76.7 | -161.3 | 31.9 | 0 | 0 | 111.6 | |||||
| 217 | T | 32.9 | Very low | 34.3 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 56% | 0.564 | 78% | 0.78 | S | S | * | * | cis | -179.8 | 154.9 | 12.9 | -88 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 218 | D | 31.2 | Very low | 33.9 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | 53.4 | 152.7 | 157.3 | -62.5 | -19.2 | 0 | 0 | 0 | 120.8 | ||||
| 219 | G | 29.8 | Very low | 33.4 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | cis | 174.3 | 128.4 | 6.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 220 | S | 31.8 | Very low | 33.3 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | 89.3 | 121.6 | 97.6 | -149.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 221 | L | 35.2 | Very low | 32.2 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | 74.6 | 116.2 | 148.4 | -61.8 | 165.2 | 0 | 0 | 0 | 119 | ||||
| 222 | A | 32.1 | Very low | 32.2 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | 82.2 | 151.3 | 84.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 223 | D | 30.1 | Very low | 31.7 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | cis | -169.4 | 167.7 | 8.2 | -163.9 | 3.3 | 0 | 0 | 0 | 105.6 | ||||
| 224 | R | 32.7 | Very low | 31.3 | Very low | 200 Ų | 200 | 134.9 Ų | 134.9 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 68.6 | 114.2 | 151.7 | -52.2 | -142.9 | 168.4 | -161.8 | -13.4 | 120.3 | ||||
| 225 | T | 28.4 | Very low | 31.4 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | 88.6 | 116.4 | 88.4 | -53.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 226 | A | 30.4 | Very low | 31.9 | Very low | 97 Ų | 97 | 132 Ų | 132 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | 162.2 | 147.7 | 118.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 227 | E | 31.9 | Very low | 31.8 | Very low | 193 Ų | 193 | 129 Ų | 129 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -65.3 | 154.3 | -170 | -56.4 | 170.8 | 104.6 | 0 | 0 | 115.5 | ||||
| 228 | S | 31.9 | Very low | 31.5 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -168.1 | 118.9 | 135.9 | 50.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 229 | S | 28.1 | Very low | 31.3 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 84.1 | 111.2 | 85.3 | -166.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 230 | S | 29.1 | Very low | 31.4 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 72.4 | 107.7 | 140.6 | -53.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 231 | K | 30.8 | Very low | 31.2 | Very low | 196 Ų | 196 | 131.7 Ų | 131.7 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | 68.7 | 126.7 | 120.8 | -126.3 | -179.3 | 178.3 | 164.8 | 0 | 121 | |||||
| 232 | S | 29.2 | Very low | 30.8 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | 89 | 145.7 | 141.9 | -59.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 233 | Q | 27.8 | Very low | 30.7 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 95.1 | 102.3 | 144.1 | -94.8 | 172.5 | -24.2 | 0 | 0 | 119.9 | ||||
| 234 | S | 29.5 | Very low | 30.8 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | 63.7 | 130.8 | 123.7 | 52.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 235 | L | 37.8 | Very low | 30.4 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -45.4 | -178.4 | 157.3 | -49.2 | 167 | 0 | 0 | 0 | 113.2 | ||||
| 236 | P | 47.1 | Very low | 30.2 | Very low | 117 Ų | 117 | 138 Ų | 138 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -143.4 | -175.1 | 4.1 | 36.2 | -13.2 | 0 | 0 | 0 | 114.8 | ||||
| 237 | C | 30 | Very low | 30.1 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -162.4 | 150.9 | 149.9 | -103.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 238 | E | 27.7 | Very low | 29.8 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | cis | -166.2 | 139.8 | -30.5 | -172.8 | 172.5 | 154 | 0 | 0 | 106.5 | ||||
| 239 | T | 27 | Very low | 29.7 | Very low | 111 Ų | 111 | 137 Ų | 137 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | trans | -34 | 150.9 | 157.7 | 15.9 | 0 | 0 | 0 | 0 | 118.2 | V241 | T239-V241 HydrophobicContact CG2-CG2 4.42Š| ||
| 240 | A | 30.2 | Very low | 29.9 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | -143.5 | 121.5 | 135 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 241 | V | 29.2 | Very low | 30 | Very low | 97 Ų | 97 | 139 Ų | 139 | 59% | 0.588 | 80% | 0.796 | S | S | * | * | trans | -93.8 | 148.5 | 178.8 | 161.3 | 0 | 0 | 0 | 0 | 109 | T239 Q243 | T239-V241 HydrophobicContact CG2-CG2 4.42Å; V241-Q243 HydrophobicContact CG1-CG 4.35Å | ||
| 242 | W | 26.7 | Very low | 29.9 | Very low | 256 Ų | 256 | 138.1 Ų | 138.1 | 97% | 0.97 | 79% | 0.794 | S | S | * | * | trans | -147.2 | 147.1 | 140 | -93.1 | 90.3 | 0 | 0 | 0 | 112.2 | ||||
| 243 | Q | 29.1 | Very low | 30 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -96.5 | 146.6 | -159.6 | -71.8 | 169.9 | -6 | 0 | 0 | 115.4 | V241 | V241-Q243 HydrophobicContact CG1-CG 4.35Š| ||
| 244 | K | 33.3 | Very low | 30 | Very low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | 19.2 | 131 | 130.9 | -151.4 | 174.4 | -169.7 | -179.7 | 0 | 120.1 | ||||
| 245 | T | 23.9 | Very low | 30.2 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -169.1 | 127.5 | 130.2 | -65.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 246 | G | 24.3 | Very low | 29.8 | Very low | 69 Ų | 69 | 147.4 Ų | 147.4 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 54.1 | 120.7 | 131.7 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 247 | A | 27.7 | Very low | 29.5 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | 73.1 | 126.6 | 128 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 248 | A | 26.4 | Very low | 29.4 | Very low | 91 Ų | 91 | 148 Ų | 148 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | 56 | 120.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 249 | Q | 28.9 | Very low | 30.3 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | 171.5 | 133.7 | 117.6 | -91.3 | 175.9 | 17.9 | 0 | 0 | 111.7 | |||||
| 250 | T | 31.6 | Very low | 30.7 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -57.7 | 158.9 | 161.1 | 33.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 251 | P | 32.7 | Very low | 31.6 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | -139.3 | 142.9 | 107.4 | 32.5 | -17.6 | 0 | 0 | 0 | 114.4 | |||||
| 252 | Q | 27.4 | Very low | 32 | Very low | 177 Ų | 177 | 151.3 Ų | 151.3 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | trans | -58.6 | 144 | 159.3 | -86.7 | -174.3 | -108.1 | 0 | 0 | 111 | ||||
| 253 | Q | 32.1 | Very low | 33.2 | Very low | 202 Ų | 202 | 147.2 Ų | 147.2 | 94% | 0.944 | 81% | 0.814 | S | S | * | * | trans | -134 | 132.2 | 144 | -109.8 | -177.1 | -17.6 | 0 | 0 | 109.9 | ||||
| 254 | D | 28.6 | Very low | 34 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -99.4 | 152.4 | -173.7 | -173 | 21.6 | 0 | 0 | 0 | 110.9 | ||||
| 255 | R | 32.6 | Very low | 34.4 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | trans | 79.4 | 120.1 | 153.8 | -97.1 | 175.9 | 170.5 | -177.6 | 0.4 | 124.1 | ||||
| 256 | R | 30.1 | Very low | 35.2 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | 105.7 | 98.9 | 126.4 | -100.3 | -179.3 | -177.6 | -115.9 | 2.5 | 119.6 | |||||
| 257 | L | 40.6 | Very low | 36.3 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | 27.5 | 119.9 | 132.8 | -56.1 | 175.1 | 0 | 0 | 0 | 119.5 | ||||
| 258 | G | 28.2 | Very low | 37.2 | Very low | 73 Ų | 73 | 147.1 Ų | 147.1 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -159.5 | 117.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A260 | G258-A260 PolarHBondContact O-N 2.74Š| ||
| 259 | A | 45.1 | Very low | 38.5 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 94% | 0.942 | 80% | 0.797 | S | S | * | * | trans | -61.3 | 123.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 260 | A | 35.1 | Very low | 39.4 | Very low | 79 Ų | 79 | 147.9 Ų | 147.9 | 65% | 0.653 | 79% | 0.792 | S | S | * | * | trans | -154.9 | 126.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | G258 K262 | G258-A260 PolarHBondContact O-N 2.74Å; A260-K262 PolarHBondContact O-N 3.39Å | ||
| 261 | E | 49.2 | Very low | 40.1 | Very low | 196 Ų | 196 | 148.3 Ų | 148.3 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -35.1 | 128.3 | 169.8 | -74 | 165 | 118.6 | 0 | 0 | 112.2 | ||||
| 262 | K | 39 | Very low | 40.7 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | -137.7 | 105.7 | 164.6 | -65.8 | -174 | -178.4 | -178 | 0 | 109.1 | A260 R264 | A260-K262 PolarHBondContact O-N 3.39Å; K262-R264 HydrophobicContact CB-CG 4.41Å; K262-R264 PolarHBondContact O-N 2.84Å; K262-R264 VanDerWaalsContact O-N 3.17Å | ||
| 263 | N | 52.3 | Low | 41.4 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | trans | -35.7 | 116.2 | 144.4 | -65.8 | -54 | 0 | 0 | 0 | 108.6 | ||||
| 264 | R | 44.1 | Very low | 42 | Very low | 217 Ų | 217 | 143.3 Ų | 143.3 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | trans | -123.7 | 107.1 | 170.5 | -70.8 | -168.7 | -160.2 | -165.7 | 6.1 | 108.4 | K262 A266 | K262-R264 HydrophobicContact CB-CG 4.41Å; K262-R264 PolarHBondContact O-N 2.84Å; K262-R264 VanDerWaalsContact O-N 3.17Å; R264-A266 PolarHBondContact O-N 3.46Å | ||
| 265 | C | 41.8 | Very low | 42.5 | Very low | 131 Ų | 131 | 145 Ų | 145 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 124.3 | 155.6 | -57.1 | 0 | 0 | 0 | 0 | 108 | S267 | C265-S267 PolarHBondContact O-N 3.17Š|
| 266 | A | 41.3 | Very low | 42.9 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 128.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | R264 | R264-A266 PolarHBondContact O-N 3.46Š|
| 267 | S | 48.3 | Very low | 43.4 | Very low | 83 Ų | 83 | 140 Ų | 140 | 58% | 0.58 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68 | 141 | 174.6 | -165.4 | 0 | 0 | 0 | 0 | 109.9 | C265 D269 | C265-S267 PolarHBondContact O-N 3.17Å; S267-D269 PolarHBondContact O-N 3.49Å; S267-D269 PolarHBondContact OG-OD2 2.82Å |
| 268 | M | 46.4 | Very low | 43.2 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 9.6 | -174.9 | -156.6 | -175.9 | 74.6 | 0 | 0 | 114.6 | ||
| 269 | D | 53.1 | Low | 43.5 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -10.8 | -175.7 | -64 | -69.8 | 0 | 0 | 0 | 113.5 | S267 | S267-D269 PolarHBondContact O-N 3.49Å; S267-D269 PolarHBondContact OG-OD2 2.82Å |
| 270 | E | 46.9 | Very low | 43.1 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -84.9 | -11.9 | -179.8 | -159.5 | 169.8 | -174.2 | 0 | 0 | 113.3 | L272 | E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 3.42Å |
| 271 | I | 48 | Very low | 43.3 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -84.2 | -8 | -178 | -47 | 175.5 | 0 | 0 | 0 | 111.7 | ||
| 272 | L | 44.2 | Very low | 42.7 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -112.8 | 8.6 | -167 | -65.1 | -180 | 0 | 0 | 0 | 116.4 | E270 | E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 3.42Å |
| 273 | N | 43.2 | Very low | 42.3 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -137 | 98.4 | 174.9 | -103.8 | 5.4 | 0 | 0 | 0 | 112.8 | ||||
| 274 | P | 43.1 | Very low | 41.8 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -101.2 | 83.8 | 163.8 | 35.3 | -24.3 | 0 | 0 | 0 | 109.4 | ||||
| 275 | D | 40.7 | Very low | 41.8 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -162.1 | 90.3 | 160 | -103.6 | -39.5 | 0 | 0 | 0 | 111.1 | ||||
| 276 | A | 40.8 | Very low | 41.9 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -176 | 117.6 | 141.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 277 | K | 39.6 | Very low | 42.2 | Very low | 204 Ų | 204 | 140.6 Ų | 140.6 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | 97.1 | 86.5 | 157.8 | -63 | -177.5 | 177.4 | 179.4 | 0 | 118.6 | ||||
| 278 | N | 37.3 | Very low | 42.3 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -18.8 | 129.6 | 144.4 | -60.1 | -22.2 | 0 | 0 | 0 | 116.8 | ||||
| 279 | Q | 34.1 | Very low | 42.6 | Very low | 195 Ų | 195 | 136.9 Ų | 136.9 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | -158 | 105.3 | 123.7 | -106.4 | 172.1 | 79.6 | 0 | 0 | 109.2 | |||||
| 280 | T | 36.4 | Very low | 43.2 | Very low | 130 Ų | 130 | 135 Ų | 135 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -68.1 | 150.1 | 162.6 | 40.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 281 | P | 39.7 | Very low | 44.2 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | -125.6 | 151.6 | 103.7 | 34.9 | -28.7 | 0 | 0 | 0 | 112.7 | |||||
| 282 | N | 36.3 | Very low | 45.7 | Very low | 169 Ų | 169 | 126.1 Ų | 126.1 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | trans | -40 | 142.6 | 171.6 | -80.5 | -27 | 0 | 0 | 0 | 114 | ||||
| 283 | G | 29.7 | Very low | 47.4 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | 176.2 | 90.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 284 | T | 43.5 | Very low | 48.9 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 93% | 0.926 | 73% | 0.732 | S | S | * | * | trans | -35.1 | 135.2 | 169.4 | -39.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 285 | G | 42.7 | Very low | 50.6 | Low | 71 Ų | 71 | 120.5 Ų | 120.5 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | trans | 80.2 | 86 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 286 | R | 44.9 | Very low | 52.7 | Low | 225 Ų | 225 | 118 Ų | 118 | 85% | 0.849 | 69% | 0.688 | S | S | * | * | trans | -135.8 | 75.9 | 166.2 | -91.3 | 171.5 | 65.5 | -158.1 | 2.1 | 111.9 | ||||
| 287 | T | 46.8 | Very low | 54.4 | Low | 126 Ų | 126 | 117 Ų | 117 | 77% | 0.773 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -132.3 | 6.6 | 161.9 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 288 | A | 50.2 | Low | 56.1 | Low | 85 Ų | 85 | 109.9 Ų | 109.9 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -105 | -21.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P290 | A288-P290 VanDerWaalsContact C-CD 3.42Š|
| 289 | A | 53.8 | Low | 58.2 | Low | 70 Ų | 70 | 105.8 Ų | 105.8 | 58% | 0.579 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -81.6 | -12.5 | -174 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 290 | P | 66.1 | Low | 60.6 | Low | 88 Ų | 88 | 102.3 Ų | 102.3 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.3 | -34.5 | 179.8 | -14.7 | 27.6 | 0 | 0 | 0 | 113.9 | A288 L294 | A288-P290 VanDerWaalsContact C-CD 3.42Å; P290-L294 PolarHBondContact O-N 3.23Å |
| 291 | L | 67.2 | Low | 62.3 | Low | 71 Ų | 71 | 102.7 Ų | 102.7 | 37% | 0.372 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.2 | -42.4 | -174.4 | -82.5 | 160.9 | 0 | 0 | 0 | 112.4 | R293 L294 Q295 L353 | L291-R293 VanDerWaalsContact C-N 3.3Å; L291-R293 PolarHBondContact O-N 3.03Å; L291-L294 PolarHBondContact O-N 2.98Å; L291-L294 VanDerWaalsContact O-N 3.17Å; L291-Q295 PolarHBondContact O-N 3.31Å; L291-L353 HydrophobicContact CD2-CD2 4.16Å |
| 292 | G | 79.8 | Confident | 64.1 | Low | 49 Ų | 49 | 99 Ų | 99 | 51% | 0.505 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.5 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q295 E296 | G292-Q295 PolarHBondContact O-N 3.48Å; G292-E296 WeakPolarHBondContact O-CB 3.37Å; G292-E296 PolarHBondContact O-N 3.39Å |
| 293 | R | 79 | Confident | 66.2 | Low | 152 Ų | 152 | 95.1 Ų | 95.1 | 57% | 0.574 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.3 | -37.2 | 175.4 | -178.4 | 56.1 | 173.1 | -153.7 | -2.4 | 112.6 | L291 E296 L297 | L291-R293 VanDerWaalsContact C-N 3.3Å; L291-R293 PolarHBondContact O-N 3.03Å; R293-E296 IonicContact NH1-OE2 3Å; R293-E296 PolarHBondContact NH1-OE2 3.19Å; R293-L297 WeakPolarHBondContact O-CG 3.48Å; R293-L297 PolarHBondContact O-N 3.12Å; R293-L297 VanDerWaalsContact O-N 3.16Å |
| 294 | L | 76 | Confident | 68.2 | Low | 92 Ų | 92 | 99.7 Ų | 99.7 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 176 | -175.7 | 62.7 | 0 | 0 | 0 | 111 | P290 L291 E296 L297 I298 | P290-L294 PolarHBondContact O-N 3.23Å; L291-L294 PolarHBondContact O-N 2.98Å; L291-L294 VanDerWaalsContact O-N 3.17Å; L294-E296 PolarHBondContact O-N 3.21Å; L294-L297 PolarHBondContact O-N 3.24Å; L294-I298 HydrophobicContact CD1-CD1 4.41Å; L294-I298 HydrophobicContact CG-CD1 3.98Å; L294-I298 WeakPolarHBondContact O-CD1 3.33Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.49Å; L294-I298 PolarHBondContact O-N 2.73Å |
| 295 | Q | 78.4 | Confident | 69.5 | Low | 38 Ų | 38 | 95.8 Ų | 95.8 | 18% | 0.178 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 175.6 | -171.5 | 61.2 | 59.4 | 0 | 0 | 111.4 | L291 G292 L297 I298 D299 R350 | L291-Q295 PolarHBondContact O-N 3.31Å; G292-Q295 PolarHBondContact O-N 3.48Å; Q295-L297 VanDerWaalsContact C-N 3.34Å; Q295-L297 PolarHBondContact O-N 3.3Å; Q295-I298 WeakPolarHBondContact O-CB 3.49Å; Q295-I298 PolarHBondContact O-N 2.79Å; Q295-I298 VanDerWaalsContact O-N 3.14Å; Q295-D299 PolarHBondContact NE2-OD1 2.83Å; Q295-D299 PolarHBondContact O-N 2.83Å; Q295-R350 VanDerWaalsContact CD-NH1 3.3Å |
| 296 | E | 84.1 | Confident | 70.9 | Confident | 116 Ų | 116 | 97.7 Ų | 97.7 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 177.8 | -173.9 | -179 | -146.2 | 0 | 0 | 112.6 | G292 R293 L294 I298 D299 Q300 | G292-E296 WeakPolarHBondContact O-CB 3.37Å; G292-E296 PolarHBondContact O-N 3.39Å; R293-E296 IonicContact NH1-OE2 3Å; R293-E296 PolarHBondContact NH1-OE2 3.19Å; L294-E296 PolarHBondContact O-N 3.21Å; E296-I298 VanDerWaalsContact C-N 3.34Å; E296-D299 PolarHBondContact O-N 2.91Å; E296-Q300 WeakPolarHBondContact O-CB 3.06Å; E296-Q300 PolarHBondContact O-N 2.97Å |
| 297 | L | 76 | Confident | 72.3 | Confident | 73 Ų | 73 | 94.1 Ų | 94.1 | 38% | 0.382 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 176 | -74.9 | 171.8 | 0 | 0 | 0 | 112.5 | R293 L294 Q295 K301 | R293-L297 WeakPolarHBondContact O-CG 3.48Å; R293-L297 PolarHBondContact O-N 3.12Å; R293-L297 VanDerWaalsContact O-N 3.16Å; L294-L297 PolarHBondContact O-N 3.24Å; Q295-L297 VanDerWaalsContact C-N 3.34Å; Q295-L297 PolarHBondContact O-N 3.3Å; L297-K301 VanDerWaalsContact O-CG 3.26Å; L297-K301 WeakPolarHBondContact O-CG 3.49Å; L297-K301 PolarHBondContact O-N 2.86Å; L297-K301 VanDerWaalsContact O-N 3.07Å |
| 298 | I | 76.9 | Confident | 73.2 | Confident | 54 Ų | 54 | 92.6 Ų | 92.6 | 28% | 0.277 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.6 | -48 | 176.7 | -69.9 | 164.5 | 0 | 0 | 0 | 109.7 | L294 Q295 E296 Q300 K301 L302 | L294-I298 HydrophobicContact CD1-CD1 4.41Å; L294-I298 HydrophobicContact CG-CD1 3.98Å; L294-I298 WeakPolarHBondContact O-CD1 3.33Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.49Å; L294-I298 PolarHBondContact O-N 2.73Å; Q295-I298 WeakPolarHBondContact O-CB 3.49Å; Q295-I298 PolarHBondContact O-N 2.79Å; Q295-I298 VanDerWaalsContact O-N 3.14Å; E296-I298 VanDerWaalsContact C-N 3.34Å; I298-Q300 VanDerWaalsContact C-N 3.3Å; I298-Q300 PolarHBondContact O-N 3.28Å; I298-K301 PolarHBondContact O-N 3.32Å; I298-K301 VanDerWaalsContact O-N 3.13Å; I298-L302 WeakPolarHBondContact O-CB 3.35Å; I298-L302 PolarHBondContact O-N 2.9Å |
| 299 | D | 81.7 | Confident | 73.7 | Confident | 71 Ų | 71 | 92.3 Ų | 92.3 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | -179.9 | -61.3 | -17.8 | 0 | 0 | 0 | 110.8 | Q295 E296 K301 L302 E303 | Q295-D299 PolarHBondContact NE2-OD1 2.83Å; Q295-D299 PolarHBondContact O-N 2.83Å; E296-D299 PolarHBondContact O-N 2.91Å; D299-K301 PolarHBondContact O-N 3.32Å; D299-L302 PolarHBondContact O-N 2.63Å; D299-E303 PolarHBondContact O-N 3.07Å |
| 300 | Q | 82.9 | Confident | 74.7 | Confident | 123 Ų | 123 | 94.9 Ų | 94.9 | 58% | 0.575 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.5 | -40.7 | 174.6 | -177.9 | -178.9 | 74.4 | 0 | 0 | 113 | E296 I298 L302 R304 | E296-Q300 WeakPolarHBondContact O-CB 3.06Å; E296-Q300 PolarHBondContact O-N 2.97Å; I298-Q300 VanDerWaalsContact C-N 3.3Å; I298-Q300 PolarHBondContact O-N 3.28Å; Q300-L302 VanDerWaalsContact C-N 3.32Å; Q300-R304 PolarHBondContact O-N 3.43Å |
| 301 | K | 73.9 | Confident | 74.7 | Confident | 138 Ų | 138 | 96.4 Ų | 96.4 | 60% | 0.6 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.4 | -36.6 | 177.5 | -73.6 | -71.7 | -178.4 | -176.2 | 0 | 111.1 | L297 I298 D299 R304 T305 | L297-K301 VanDerWaalsContact O-CG 3.26Å; L297-K301 WeakPolarHBondContact O-CG 3.49Å; L297-K301 PolarHBondContact O-N 2.86Å; L297-K301 VanDerWaalsContact O-N 3.07Å; I298-K301 PolarHBondContact O-N 3.32Å; I298-K301 VanDerWaalsContact O-N 3.13Å; D299-K301 PolarHBondContact O-N 3.32Å; K301-R304 PolarHBondContact O-N 3.5Å; K301-T305 PolarHBondContact O-N 3.46Å; K301-T305 PolarHBondContact O-OG1 3.08Å |
| 302 | L | 76 | Confident | 74.6 | Confident | 45 Ų | 45 | 97.5 Ų | 97.5 | 24% | 0.236 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -65.6 | -49.7 | 177.3 | -167.4 | 158.8 | 0 | 0 | 0 | 111.5 | I298 D299 Q300 R304 T305 E306 W346 | I298-L302 WeakPolarHBondContact O-CB 3.35Å; I298-L302 PolarHBondContact O-N 2.9Å; D299-L302 PolarHBondContact O-N 2.63Å; Q300-L302 VanDerWaalsContact C-N 3.32Å; L302-R304 PolarHBondContact O-N 3.26Å; L302-T305 WeakPolarHBondContact CA-OG1 3.16Å; L302-T305 WeakPolarHBondContact O-CA 3.25Å; L302-T305 PolarHBondContact O-N 2.96Å; L302-T305 PolarHBondContact O-OG1 2.84Å; L302-E306 HydrophobicContact CD2-CG 3.95Å; L302-E306 WeakPolarHBondContact CD2-OE1 3.45Å; L302-E306 PolarHBondContact O-N 3.37Å; L302-W346 HydrophobicContact CD1-CD2 4.1Å; L302-W346 HydrophobicContact CD1-CG 4.42Å; L302-W346 HydrophobicContact CD1-CZ2 3.99Å |
| 303 | E | 81.3 | Confident | 73.7 | Confident | 88 Ų | 88 | 104.6 Ų | 104.6 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.4 | -36.9 | 178 | -166 | -164.3 | -161.9 | 0 | 0 | 111.5 | D299 E306 R307 | D299-E303 PolarHBondContact O-N 3.07Å; E303-E306 PolarHBondContact O-N 3.26Å; E303-R307 VanDerWaalsContact CD-CZ 3.42Å; E303-R307 WeakPolarHBondContact O-CG 3.19Å; E303-R307 PolarHBondContact O-N 3.38Å; E303-R307 IonicContact OE1-CZ 3.99Å; E303-R307 VanDerWaalsContact OE1-CZ 3.31Å; E303-R307 IonicContact OE1-NH1 2.83Å; E303-R307 PolarHBondContact OE1-NH1 3.09Å; E303-R307 IonicContact OE1-NH2 3.81Å; E303-R307 PolarHBondContact OE1-NH2 2.84Å; E303-R307 IonicContact OE2-CZ 3.82Å; E303-R307 IonicContact OE2-NH1 3.58Å; E303-R307 PolarHBondContact OE2-NH1 2.87Å; E303-R307 IonicContact OE2-NH2 3.36Å; E303-R307 PolarHBondContact OE2-NH2 3.48Å |
| 304 | R | 70.3 | Confident | 72.7 | Confident | 168 Ų | 168 | 102 Ų | 102 | 63% | 0.634 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | 174.3 | -168.1 | -179 | -175.1 | 98.5 | 2.2 | 112.1 | Q300 K301 L302 L308 | Q300-R304 PolarHBondContact O-N 3.43Å; K301-R304 PolarHBondContact O-N 3.5Å; L302-R304 PolarHBondContact O-N 3.26Å; R304-L308 WeakPolarHBondContact O-CG 3.3Å; R304-L308 PolarHBondContact O-N 2.97Å |
| 305 | T | 71 | Confident | 71.6 | Confident | 69 Ų | 69 | 104.1 Ų | 104.1 | 42% | 0.423 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 175.6 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | K301 L302 R307 L308 L309 | K301-T305 PolarHBondContact O-N 3.46Å; K301-T305 PolarHBondContact O-OG1 3.08Å; L302-T305 WeakPolarHBondContact CA-OG1 3.16Å; L302-T305 WeakPolarHBondContact O-CA 3.25Å; L302-T305 PolarHBondContact O-N 2.96Å; L302-T305 PolarHBondContact O-OG1 2.84Å; T305-R307 PolarHBondContact O-N 2.95Å; T305-L308 PolarHBondContact O-N 3.03Å; T305-L309 WeakPolarHBondContact O-CG 3.35Å; T305-L309 PolarHBondContact O-N 3.31Å |
| 306 | E | 72.3 | Confident | 70.5 | Confident | 111 Ų | 111 | 103.9 Ų | 103.9 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 177.6 | -74.2 | -176.6 | 161.1 | 0 | 0 | 113 | L302 E303 L308 L309 L310 | L302-E306 HydrophobicContact CD2-CG 3.95Å; L302-E306 WeakPolarHBondContact CD2-OE1 3.45Å; L302-E306 PolarHBondContact O-N 3.37Å; E303-E306 PolarHBondContact O-N 3.26Å; E306-L308 VanDerWaalsContact C-N 3.35Å; E306-L308 PolarHBondContact O-N 2.97Å; E306-L309 WeakPolarHBondContact O-CB 3.22Å; E306-L309 PolarHBondContact O-N 3.47Å; E306-L309 VanDerWaalsContact O-N 3.16Å; E306-L310 PolarHBondContact O-N 3.36Å |
| 307 | R | 74.7 | Confident | 68.8 | Low | 149 Ų | 149 | 106.3 Ų | 106.3 | 56% | 0.562 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.8 | -45.4 | 174.4 | -76.3 | -177.1 | 179.2 | 115.1 | 3.2 | 112.1 | E303 T305 L309 L310 E311 | E303-R307 VanDerWaalsContact CD-CZ 3.42Å; E303-R307 WeakPolarHBondContact O-CG 3.19Å; E303-R307 PolarHBondContact O-N 3.38Å; E303-R307 IonicContact OE1-CZ 3.99Å; E303-R307 VanDerWaalsContact OE1-CZ 3.31Å; E303-R307 IonicContact OE1-NH1 2.83Å; E303-R307 PolarHBondContact OE1-NH1 3.09Å; E303-R307 IonicContact OE1-NH2 3.81Å; E303-R307 PolarHBondContact OE1-NH2 2.84Å; E303-R307 IonicContact OE2-CZ 3.82Å; E303-R307 IonicContact OE2-NH1 3.58Å; E303-R307 PolarHBondContact OE2-NH1 2.87Å; E303-R307 IonicContact OE2-NH2 3.36Å; E303-R307 PolarHBondContact OE2-NH2 3.48Å; T305-R307 PolarHBondContact O-N 2.95Å; R307-L309 VanDerWaalsContact C-N 3.27Å; R307-L309 PolarHBondContact O-N 2.74Å; R307-L310 PolarHBondContact O-N 2.94Å; R307-E311 PolarHBondContact O-N 2.91Å; R307-E311 VanDerWaalsContact O-N 3.09Å |
| 308 | L | 66.9 | Low | 67.9 | Low | 94 Ų | 94 | 108.2 Ų | 108.2 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -32.7 | 177.2 | -69.4 | 169.3 | 0 | 0 | 0 | 112 | R304 T305 E306 V312 | R304-L308 WeakPolarHBondContact O-CG 3.3Å; R304-L308 PolarHBondContact O-N 2.97Å; T305-L308 PolarHBondContact O-N 3.03Å; E306-L308 VanDerWaalsContact C-N 3.35Å; E306-L308 PolarHBondContact O-N 2.97Å; L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.5Å; L308-V312 PolarHBondContact O-N 3.4Å |
| 309 | L | 60.4 | Low | 66.1 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 41% | 0.414 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.4 | -38.4 | 174.9 | -64.5 | 178.7 | 0 | 0 | 0 | 112.8 | T305 E306 R307 E311 R313 L339 | T305-L309 WeakPolarHBondContact O-CG 3.35Å; T305-L309 PolarHBondContact O-N 3.31Å; E306-L309 WeakPolarHBondContact O-CB 3.22Å; E306-L309 PolarHBondContact O-N 3.47Å; E306-L309 VanDerWaalsContact O-N 3.16Å; R307-L309 VanDerWaalsContact C-N 3.27Å; R307-L309 PolarHBondContact O-N 2.74Å; L309-E311 VanDerWaalsContact C-N 3.31Å; L309-R313 WeakPolarHBondContact O-CB 3.04Å; L309-R313 PolarHBondContact O-N 2.78Å; L309-L339 HydrophobicContact CD1-CD1 4.38Å; L309-L339 HydrophobicContact CD1-CD2 4.29Å; L309-L339 HydrophobicContact CD2-CD1 3.25Å; L309-L339 HydrophobicContact CD2-CD2 4.01Å; L309-L339 HydrophobicContact CD2-CG 4.25Å; L309-L339 HydrophobicContact CG-CD1 4.42Å |
| 310 | L | 74.1 | Confident | 64.1 | Low | 124 Ų | 124 | 110 Ų | 110 | 65% | 0.649 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66 | -40.5 | 177.8 | -137.8 | 116.3 | 0 | 0 | 0 | 110.4 | E306 R307 R313 T314 | E306-L310 PolarHBondContact O-N 3.36Å; R307-L310 PolarHBondContact O-N 2.94Å; L310-R313 PolarHBondContact O-N 2.92Å; L310-T314 WeakPolarHBondContact O-CG2 3.37Å; L310-T314 PolarHBondContact O-N 3.41Å; L310-T314 PolarHBondContact O-OG1 2.98Å; L310-T314 VanDerWaalsContact O-OG1 3.07Å |
| 311 | E | 65.9 | Low | 62.1 | Low | 120 Ų | 120 | 108.7 Ų | 108.7 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.8 | -49.6 | 176 | -165.2 | 166.5 | -165.1 | 0 | 0 | 111.8 | R307 L309 R313 T314 D315 | R307-E311 PolarHBondContact O-N 2.91Å; R307-E311 VanDerWaalsContact O-N 3.09Å; L309-E311 VanDerWaalsContact C-N 3.31Å; E311-R313 VanDerWaalsContact C-N 3.27Å; E311-R313 PolarHBondContact O-N 3.48Å; E311-T314 WeakPolarHBondContact CA-OG1 3.44Å; E311-T314 PolarHBondContact O-N 3.48Å; E311-T314 PolarHBondContact O-OG1 2.99Å; E311-D315 PolarHBondContact O-N 3.19Å; E311-D315 VanDerWaalsContact O-N 3.12Å |
| 312 | V | 64.5 | Low | 60.6 | Low | 95 Ų | 95 | 112.1 Ų | 112.1 | 58% | 0.576 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.7 | -28.2 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 112.6 | L308 | L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.5Å; L308-V312 PolarHBondContact O-N 3.4Å |
| 313 | R | 62.3 | Low | 59.1 | Low | 197 Ų | 197 | 114 Ų | 114 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79 | -34.2 | 176.1 | -177.8 | 179.7 | -97.3 | -138.1 | -2.9 | 112.1 | L309 L310 E311 D315 A316 | L309-R313 WeakPolarHBondContact O-CB 3.04Å; L309-R313 PolarHBondContact O-N 2.78Å; L310-R313 PolarHBondContact O-N 2.92Å; E311-R313 VanDerWaalsContact C-N 3.27Å; E311-R313 PolarHBondContact O-N 3.48Å; R313-D315 VanDerWaalsContact C-N 3.26Å; R313-A316 PolarHBondContact O-N 2.88Å |
| 314 | T | 56.6 | Low | 57.1 | Low | 98 Ų | 98 | 113.5 Ų | 113.5 | 60% | 0.601 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.1 | -25.1 | 173.8 | 47 | 0 | 0 | 0 | 0 | 112.6 | L310 E311 A316 | L310-T314 WeakPolarHBondContact O-CG2 3.37Å; L310-T314 PolarHBondContact O-N 3.41Å; L310-T314 PolarHBondContact O-OG1 2.98Å; L310-T314 VanDerWaalsContact O-OG1 3.07Å; E311-T314 WeakPolarHBondContact CA-OG1 3.44Å; E311-T314 PolarHBondContact O-N 3.48Å; E311-T314 PolarHBondContact O-OG1 2.99Å; T314-A316 PolarHBondContact O-N 2.97Å |
| 315 | D | 53.6 | Low | 55.8 | Low | 136 Ų | 136 | 114.7 Ų | 114.7 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -0.5 | 171.3 | -69.6 | -25.9 | 0 | 0 | 0 | 113.4 | E311 R313 | E311-D315 PolarHBondContact O-N 3.19Å; E311-D315 VanDerWaalsContact O-N 3.12Å; R313-D315 VanDerWaalsContact C-N 3.26Å |
| 316 | A | 56.1 | Low | 54.6 | Low | 33 Ų | 33 | 117.7 Ų | 117.7 | 27% | 0.273 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.7 | 17.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | R313 T314 | R313-A316 PolarHBondContact O-N 2.88Å; T314-A316 PolarHBondContact O-N 2.97Å |
| 317 | E | 48.4 | Very low | 53.9 | Low | 167 Ų | 167 | 118.1 Ų | 118.1 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -141.9 | 156 | 171.7 | -93.8 | -58.1 | 100.4 | 0 | 0 | 112.7 | ||
| 318 | P | 56.5 | Low | 52.8 | Low | 113 Ų | 113 | 116 Ų | 116 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | -114.6 | 139.1 | -108.9 | 36.2 | -24.5 | 0 | 0 | 0 | 113.4 | |||||
| 319 | G | 40 | Very low | 52.3 | Low | 83 Ų | 83 | 117.3 Ų | 117.3 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -155.2 | 91.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 320 | G | 38.4 | Very low | 52.4 | Low | 79 Ų | 79 | 115.6 Ų | 115.6 | 81% | 0.814 | 71% | 0.709 | S | S | * | * | trans | 101.4 | 97.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 321 | A | 40.9 | Very low | 51.9 | Low | 96 Ų | 96 | 114.3 Ų | 114.3 | 79% | 0.793 | 71% | 0.708 | S | S | * | * | trans | 80.8 | 111.7 | 136.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 322 | K | 42.6 | Very low | 52.1 | Low | 210 Ų | 210 | 114.6 Ų | 114.6 | 91% | 0.913 | 70% | 0.704 | S | S | * | * | trans | 77.5 | 101.4 | 140.2 | -69.2 | -175.4 | 176.5 | -179.7 | 0 | 119 | ||||
| 323 | G | 44.7 | Very low | 52.4 | Low | 86 Ų | 86 | 112.8 Ų | 112.8 | 89% | 0.887 | 70% | 0.699 | S | S | * | * | 82 | 98.4 | 125.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 324 | G | 39.3 | Very low | 52.5 | Low | 77 Ų | 77 | 108.2 Ų | 108.2 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | trans | 164.6 | 119.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 325 | K | 42.8 | Very low | 53.2 | Low | 192 Ų | 192 | 105.8 Ų | 105.8 | 84% | 0.835 | 68% | 0.676 | S | S | * | * | trans | 9.8 | 141.7 | 166.1 | -76 | 178.5 | 174.2 | 179.3 | 0 | 120.3 | V327 | K325-V327 PolarHBondContact O-N 3.5Å; K325-V327 VanDerWaalsContact O-N 3.13Å | ||
| 326 | P | 45.9 | Very low | 54.1 | Low | 133 Ų | 133 | 103.6 Ų | 103.6 | 86% | 0.864 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 116.8 | 172.7 | 30.3 | -31.5 | 0 | 0 | 0 | 109.5 | ||
| 327 | V | 57.5 | Low | 55 | Low | 119 Ų | 119 | 109 Ų | 109 | 72% | 0.721 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 144.1 | 169.8 | 173 | 0 | 0 | 0 | 0 | 107.4 | K325 D329 | K325-V327 PolarHBondContact O-N 3.5Å; K325-V327 VanDerWaalsContact O-N 3.13Å; V327-D329 PolarHBondContact O-N 2.98Å |
| 328 | P | 51.7 | Low | 56.1 | Low | 104 Ų | 104 | 105.3 Ų | 105.3 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 123.6 | -168.5 | 28.7 | -33.2 | 0 | 0 | 0 | 110.9 | G330 P331 | P328-G330 PolarHBondContact O-N 3.45Å; P328-P331 WeakPolarHBondContact O-CD 3.43Å |
| 329 | D | 57 | Low | 56.8 | Low | 123 Ų | 123 | 102.8 Ų | 102.8 | 66% | 0.658 | 64% | 0.64 | S | S | * | * | trans | -64.8 | 7.4 | 175.3 | -71.8 | -51.3 | 0 | 0 | 0 | 114.8 | V327 A333 | V327-D329 PolarHBondContact O-N 2.98Å; D329-A333 VanDerWaalsContact O-CB 3.29Å; D329-A333 WeakPolarHBondContact O-CB 3.34Å; D329-A333 PolarHBondContact O-N 3.29Å | ||
| 330 | G | 61.5 | Low | 58.4 | Low | 43 Ų | 43 | 106 Ų | 106 | 44% | 0.443 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -55.2 | -56.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P328 R332 E334 | P328-G330 PolarHBondContact O-N 3.45Å; G330-R332 VanDerWaalsContact C-N 3.34Å; G330-R332 PolarHBondContact O-N 2.95Å; G330-E334 VanDerWaalsContact O-CB 3.29Å; G330-E334 WeakPolarHBondContact O-CB 3.35Å; G330-E334 PolarHBondContact O-N 3.32Å |
| 331 | P | 63.5 | Low | 60.1 | Low | 96 Ų | 96 | 108 Ų | 108 | 62% | 0.623 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.9 | -27.3 | -174.6 | 25.4 | -31 | 0 | 0 | 0 | 113.1 | P328 A335 | P328-P331 WeakPolarHBondContact O-CD 3.43Å; P331-A335 WeakPolarHBondContact O-CB 3.46Å; P331-A335 PolarHBondContact O-N 3.25Å |
| 332 | R | 69.8 | Low | 61.8 | Low | 127 Ų | 127 | 106.3 Ų | 106.3 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -75.3 | -45.6 | 177.1 | -173.2 | -179.7 | 178.8 | -173.2 | 7 | 111.5 | G330 E334 A335 E336 | G330-R332 VanDerWaalsContact C-N 3.34Å; G330-R332 PolarHBondContact O-N 2.95Å; R332-E334 VanDerWaalsContact C-N 3.29Å; R332-E334 PolarHBondContact O-N 3.24Å; R332-A335 PolarHBondContact O-N 3.03Å; R332-E336 IonicContact NE-OE1 3.96Å; R332-E336 WeakPolarHBondContact O-CG 3.48Å; R332-E336 PolarHBondContact O-N 3.34Å |
| 333 | A | 72.3 | Confident | 63.5 | Low | 56 Ų | 56 | 100.7 Ų | 100.7 | 46% | 0.463 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.6 | -36.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D329 R337 | D329-A333 VanDerWaalsContact O-CB 3.29Å; D329-A333 WeakPolarHBondContact O-CB 3.34Å; D329-A333 PolarHBondContact O-N 3.29Å; A333-R337 WeakPolarHBondContact O-CB 3.43Å; A333-R337 PolarHBondContact O-N 2.9Å |
| 334 | E | 64.4 | Low | 64.9 | Low | 102 Ų | 102 | 99.4 Ų | 99.4 | 48% | 0.477 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -43.1 | 174.6 | -175 | 167.9 | -157.1 | 0 | 0 | 112.2 | G330 R332 E336 R337 L338 | G330-E334 VanDerWaalsContact O-CB 3.29Å; G330-E334 WeakPolarHBondContact O-CB 3.35Å; G330-E334 PolarHBondContact O-N 3.32Å; R332-E334 VanDerWaalsContact C-N 3.29Å; R332-E334 PolarHBondContact O-N 3.24Å; E334-E336 PolarHBondContact O-N 3.17Å; E334-R337 PolarHBondContact O-N 3.44Å; E334-R337 IonicContact OE1-NH2 3.9Å; E334-L338 HydrophobicContact CG-CD1 4.26Å; E334-L338 WeakPolarHBondContact O-CG 3.46Å; E334-L338 PolarHBondContact O-N 3.24Å |
| 335 | A | 70 | Confident | 66.6 | Low | 47 Ų | 47 | 98 Ų | 98 | 39% | 0.388 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | P331 R332 R337 L338 L339 | P331-A335 WeakPolarHBondContact O-CB 3.46Å; P331-A335 PolarHBondContact O-N 3.25Å; R332-A335 PolarHBondContact O-N 3.03Å; A335-R337 VanDerWaalsContact C-N 3.31Å; A335-R337 PolarHBondContact O-N 2.93Å; A335-L338 PolarHBondContact O-N 2.9Å; A335-L339 VanDerWaalsContact O-CD1 3.28Å; A335-L339 WeakPolarHBondContact O-CD1 3.41Å; A335-L339 WeakPolarHBondContact O-CG 3.37Å; A335-L339 PolarHBondContact O-N 3.34Å |
| 336 | E | 72.3 | Confident | 68.3 | Low | 90 Ų | 90 | 93.2 Ų | 93.2 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -36.9 | 176 | -73.7 | -178.2 | -169.8 | 0 | 0 | 112.8 | R332 E334 K340 | R332-E336 IonicContact NE-OE1 3.96Å; R332-E336 WeakPolarHBondContact O-CG 3.48Å; R332-E336 PolarHBondContact O-N 3.34Å; E334-E336 PolarHBondContact O-N 3.17Å; E336-K340 WeakPolarHBondContact O-CG 3.36Å; E336-K340 PolarHBondContact O-N 2.94Å; E336-K340 VanDerWaalsContact O-N 3.09Å |
| 337 | R | 75.9 | Confident | 69.9 | Low | 145 Ų | 145 | 90.5 Ų | 90.5 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -49.6 | 175.5 | -170.2 | -172.3 | 74.8 | -158.8 | -4.6 | 111.5 | A333 E334 A335 L339 K340 E341 | A333-R337 WeakPolarHBondContact O-CB 3.43Å; A333-R337 PolarHBondContact O-N 2.9Å; E334-R337 PolarHBondContact O-N 3.44Å; E334-R337 IonicContact OE1-NH2 3.9Å; A335-R337 VanDerWaalsContact C-N 3.31Å; A335-R337 PolarHBondContact O-N 2.93Å; R337-L339 PolarHBondContact O-N 3.39Å; R337-K340 PolarHBondContact O-N 3.39Å; R337-E341 PolarHBondContact O-N 3.18Å |
| 338 | L | 71.3 | Confident | 70.8 | Confident | 91 Ų | 91 | 91.1 Ų | 91.1 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -34.3 | 179.2 | -72.2 | 171.5 | 0 | 0 | 0 | 111.7 | E334 A335 A342 | E334-L338 HydrophobicContact CG-CD1 4.26Å; E334-L338 WeakPolarHBondContact O-CG 3.46Å; E334-L338 PolarHBondContact O-N 3.24Å; A335-L338 PolarHBondContact O-N 2.9Å; L338-A342 WeakPolarHBondContact O-CB 3.48Å; L338-A342 PolarHBondContact O-N 3.44Å |
| 339 | L | 71.4 | Confident | 72 | Confident | 60 Ų | 60 | 89.4 Ų | 89.4 | 31% | 0.314 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.8 | -42.6 | 176.2 | -71.2 | 160.6 | 0 | 0 | 0 | 112.6 | L309 A335 R337 E341 A342 V343 | L309-L339 HydrophobicContact CD1-CD1 4.38Å; L309-L339 HydrophobicContact CD1-CD2 4.29Å; L309-L339 HydrophobicContact CD2-CD1 3.25Å; L309-L339 HydrophobicContact CD2-CD2 4.01Å; L309-L339 HydrophobicContact CD2-CG 4.25Å; L309-L339 HydrophobicContact CG-CD1 4.42Å; A335-L339 VanDerWaalsContact O-CD1 3.28Å; A335-L339 WeakPolarHBondContact O-CD1 3.41Å; A335-L339 WeakPolarHBondContact O-CG 3.37Å; A335-L339 PolarHBondContact O-N 3.34Å; R337-L339 PolarHBondContact O-N 3.39Å; L339-E341 VanDerWaalsContact C-N 3.26Å; L339-E341 PolarHBondContact O-N 2.89Å; L339-A342 PolarHBondContact O-N 3.17Å; L339-V343 WeakPolarHBondContact O-CG2 3.36Å; L339-V343 PolarHBondContact O-N 3.47Å |
| 340 | K | 73.6 | Confident | 73.2 | Confident | 151 Ų | 151 | 88.1 Ų | 88.1 | 66% | 0.657 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.2 | -41 | 174 | -74.2 | 172.5 | -178.1 | 171.8 | 0 | 111.2 | E336 R337 V343 A344 | E336-K340 WeakPolarHBondContact O-CG 3.36Å; E336-K340 PolarHBondContact O-N 2.94Å; E336-K340 VanDerWaalsContact O-N 3.09Å; R337-K340 PolarHBondContact O-N 3.39Å; K340-V343 PolarHBondContact O-N 3.43Å; K340-A344 WeakPolarHBondContact O-CB 3.33Å; K340-A344 PolarHBondContact O-N 3.03Å |
| 341 | E | 73.9 | Confident | 74.2 | Confident | 121 Ų | 121 | 91.6 Ų | 91.6 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 175.1 | -170.9 | 176.1 | 171.5 | 0 | 0 | 111.7 | R337 L339 V343 A344 A345 | R337-E341 PolarHBondContact O-N 3.18Å; L339-E341 VanDerWaalsContact C-N 3.26Å; L339-E341 PolarHBondContact O-N 2.89Å; E341-V343 PolarHBondContact O-N 2.82Å; E341-A344 PolarHBondContact O-N 3.42Å; E341-A345 WeakPolarHBondContact O-CB 3.37Å; E341-A345 PolarHBondContact O-N 2.94Å |
| 342 | A | 77.1 | Confident | 75.2 | Confident | 59 Ų | 59 | 90.1 Ų | 90.1 | 49% | 0.488 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L338 L339 A345 W346 | L338-A342 WeakPolarHBondContact O-CB 3.48Å; L338-A342 PolarHBondContact O-N 3.44Å; L339-A342 PolarHBondContact O-N 3.17Å; A342-A345 PolarHBondContact O-N 3.42Å; A342-W346 WeakPolarHBondContact O-CB 3.33Å; A342-W346 PolarHBondContact O-N 3.03Å |
| 343 | V | 77.8 | Confident | 75.7 | Confident | 93 Ų | 93 | 86 Ų | 86 | 56% | 0.564 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.6 | -40.7 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | L339 K340 E341 W346 T347 | L339-V343 WeakPolarHBondContact O-CG2 3.36Å; L339-V343 PolarHBondContact O-N 3.47Å; K340-V343 PolarHBondContact O-N 3.43Å; E341-V343 PolarHBondContact O-N 2.82Å; V343-W346 PolarHBondContact O-N 3.26Å; V343-T347 PolarHBondContact O-N 3.19Å; V343-T347 PolarHBondContact O-OG1 2.51Å |
| 344 | A | 74.2 | Confident | 76.3 | Confident | 59 Ų | 59 | 87.2 Ų | 87.2 | 49% | 0.488 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K340 E341 W346 T347 Q348 | K340-A344 WeakPolarHBondContact O-CB 3.33Å; K340-A344 PolarHBondContact O-N 3.03Å; E341-A344 PolarHBondContact O-N 3.42Å; A344-W346 VanDerWaalsContact C-N 3.29Å; A344-W346 PolarHBondContact O-N 3Å; A344-T347 PolarHBondContact O-N 3.13Å; A344-Q348 PolarHBondContact O-N 3.11Å |
| 345 | A | 74.8 | Confident | 77.3 | Confident | 46 Ų | 46 | 86.7 Ų | 86.7 | 38% | 0.38 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.2 | -35.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | E341 A342 S349 | E341-A345 WeakPolarHBondContact O-CB 3.37Å; E341-A345 PolarHBondContact O-N 2.94Å; A342-A345 PolarHBondContact O-N 3.42Å; A345-S349 WeakPolarHBondContact O-CB 3.3Å; A345-S349 PolarHBondContact O-N 2.89Å; A345-S349 PolarHBondContact O-OG 3.16Å |
| 346 | W | 79.1 | Confident | 77.9 | Confident | 93 Ų | 93 | 88 Ų | 88 | 35% | 0.352 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 174.1 | 176.4 | 86.7 | 0 | 0 | 0 | 112 | L302 A342 V343 A344 Q348 S349 R350 | L302-W346 HydrophobicContact CD1-CD2 4.1Å; L302-W346 HydrophobicContact CD1-CG 4.42Å; L302-W346 HydrophobicContact CD1-CZ2 3.99Å; A342-W346 WeakPolarHBondContact O-CB 3.33Å; A342-W346 PolarHBondContact O-N 3.03Å; V343-W346 PolarHBondContact O-N 3.26Å; A344-W346 VanDerWaalsContact C-N 3.29Å; A344-W346 PolarHBondContact O-N 3Å; W346-Q348 VanDerWaalsContact C-N 3.28Å; W346-Q348 PolarHBondContact O-N 3.42Å; W346-S349 WeakPolarHBondContact O-CB 3.48Å; W346-S349 PolarHBondContact O-N 3.17Å; W346-S349 VanDerWaalsContact O-N 3.07Å; W346-R350 PolarHBondContact O-N 3.28Å |
| 347 | T | 78.4 | Confident | 78.6 | Confident | 75 Ų | 75 | 89.3 Ų | 89.3 | 46% | 0.46 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 179 | -54 | 0 | 0 | 0 | 0 | 110.5 | V343 A344 R350 Q351 | V343-T347 PolarHBondContact O-N 3.19Å; V343-T347 PolarHBondContact O-OG1 2.51Å; A344-T347 PolarHBondContact O-N 3.13Å; T347-R350 WeakPolarHBondContact O-CB 3.43Å; T347-R350 PolarHBondContact O-N 3.29Å; T347-Q351 PolarHBondContact O-N 2.8Å |
| 348 | Q | 77.2 | Confident | 79.3 | Confident | 132 Ų | 132 | 88.5 Ų | 88.5 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 173.8 | -173.8 | -179.8 | 9.4 | 0 | 0 | 111.9 | A344 W346 R350 Q351 V352 | A344-Q348 PolarHBondContact O-N 3.11Å; W346-Q348 VanDerWaalsContact C-N 3.28Å; W346-Q348 PolarHBondContact O-N 3.42Å; Q348-R350 VanDerWaalsContact C-N 3.32Å; Q348-R350 PolarHBondContact O-N 2.78Å; Q348-Q351 PolarHBondContact O-N 2.89Å; Q348-V352 WeakPolarHBondContact O-CG2 3.35Å; Q348-V352 PolarHBondContact O-N 2.94Å |
| 349 | S | 75.9 | Confident | 79.9 | Confident | 69 Ų | 69 | 88.6 Ų | 88.6 | 48% | 0.483 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 178.1 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | A345 W346 V352 L353 | A345-S349 WeakPolarHBondContact O-CB 3.3Å; A345-S349 PolarHBondContact O-N 2.89Å; A345-S349 PolarHBondContact O-OG 3.16Å; W346-S349 WeakPolarHBondContact O-CB 3.48Å; W346-S349 PolarHBondContact O-N 3.17Å; W346-S349 VanDerWaalsContact O-N 3.07Å; S349-V352 PolarHBondContact O-N 3.23Å; S349-L353 WeakPolarHBondContact O-CG 3.42Å; S349-L353 PolarHBondContact O-N 3.28Å |
| 350 | R | 81.8 | Confident | 80.3 | Confident | 96 Ų | 96 | 90.4 Ų | 90.4 | 36% | 0.362 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 174.5 | -174.2 | 72.9 | -177.8 | -147.8 | -5.3 | 111.1 | Q295 W346 T347 Q348 V352 L353 D354 | Q295-R350 VanDerWaalsContact CD-NH1 3.3Å; W346-R350 PolarHBondContact O-N 3.28Å; T347-R350 WeakPolarHBondContact O-CB 3.43Å; T347-R350 PolarHBondContact O-N 3.29Å; Q348-R350 VanDerWaalsContact C-N 3.32Å; Q348-R350 PolarHBondContact O-N 2.78Å; R350-V352 VanDerWaalsContact C-N 3.34Å; R350-V352 PolarHBondContact O-N 3.16Å; R350-L353 WeakPolarHBondContact O-CB 3.37Å; R350-L353 PolarHBondContact O-N 3.4Å; R350-L353 VanDerWaalsContact O-N 3.15Å; R350-D354 PolarHBondContact O-N 2.86Å |
| 351 | Q | 84.1 | Confident | 80.9 | Confident | 115 Ų | 115 | 84.8 Ų | 84.8 | 54% | 0.537 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 176.3 | -174.6 | -176.1 | -18.8 | 0 | 0 | 111.5 | T347 Q348 L353 D354 E355 | T347-Q351 PolarHBondContact O-N 2.8Å; Q348-Q351 PolarHBondContact O-N 2.89Å; Q351-L353 VanDerWaalsContact C-N 3.29Å; Q351-L353 PolarHBondContact O-N 3.38Å; Q351-D354 PolarHBondContact O-N 2.96Å; Q351-D354 VanDerWaalsContact O-N 3.15Å; Q351-E355 PolarHBondContact NE2-OE1 3.23Å; Q351-E355 VanDerWaalsContact NE2-OE1 3.1Å; Q351-E355 WeakPolarHBondContact O-CG 3.29Å; Q351-E355 PolarHBondContact O-N 3.23Å |
| 352 | V | 83.9 | Confident | 81.5 | Confident | 65 Ų | 65 | 82.6 Ų | 82.6 | 39% | 0.394 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | Q348 S349 R350 E355 I356 | Q348-V352 WeakPolarHBondContact O-CG2 3.35Å; Q348-V352 PolarHBondContact O-N 2.94Å; S349-V352 PolarHBondContact O-N 3.23Å; R350-V352 VanDerWaalsContact C-N 3.34Å; R350-V352 PolarHBondContact O-N 3.16Å; V352-E355 PolarHBondContact O-N 3.31Å; V352-I356 HydrophobicContact CG1-CD1 3.86Å; V352-I356 HydrophobicContact CG1-CG1 4.44Å; V352-I356 WeakPolarHBondContact O-CB 3.29Å; V352-I356 VanDerWaalsContact O-CG1 3.23Å; V352-I356 WeakPolarHBondContact O-CG1 3.39Å; V352-I356 PolarHBondContact O-N 3.08Å |
| 353 | L | 81.1 | Confident | 81.5 | Confident | 42 Ų | 42 | 87.8 Ų | 87.8 | 22% | 0.22 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64 | -41 | 174.6 | -76.3 | 172.8 | 0 | 0 | 0 | 111.9 | L291 S349 R350 Q351 I356 Q357 | L291-L353 HydrophobicContact CD2-CD2 4.16Å; S349-L353 WeakPolarHBondContact O-CG 3.42Å; S349-L353 PolarHBondContact O-N 3.28Å; R350-L353 WeakPolarHBondContact O-CB 3.37Å; R350-L353 PolarHBondContact O-N 3.4Å; R350-L353 VanDerWaalsContact O-N 3.15Å; Q351-L353 VanDerWaalsContact C-N 3.29Å; Q351-L353 PolarHBondContact O-N 3.38Å; L353-I356 PolarHBondContact O-N 2.94Å; L353-Q357 WeakPolarHBondContact O-CG 3.37Å; L353-Q357 PolarHBondContact O-N 3.5Å |
| 354 | D | 83.4 | Confident | 81.8 | Confident | 80 Ų | 80 | 91.9 Ų | 91.9 | 43% | 0.428 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 176.6 | -68.3 | -20.6 | 0 | 0 | 0 | 110.9 | R350 Q351 I356 Q357 E358 | R350-D354 PolarHBondContact O-N 2.86Å; Q351-D354 PolarHBondContact O-N 2.96Å; Q351-D354 VanDerWaalsContact O-N 3.15Å; D354-I356 PolarHBondContact O-N 3.29Å; D354-Q357 WeakPolarHBondContact O-CB 3.4Å; D354-Q357 PolarHBondContact O-N 3.08Å; D354-Q357 VanDerWaalsContact O-N 3.12Å; D354-E358 PolarHBondContact O-N 3.3Å |
| 355 | E | 85.8 | Confident | 82 | Confident | 91 Ų | 91 | 96.4 Ų | 96.4 | 43% | 0.425 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 173.8 | -71.5 | 173.2 | -161.7 | 0 | 0 | 111.8 | Q351 V352 Q357 E358 L359 | Q351-E355 PolarHBondContact NE2-OE1 3.23Å; Q351-E355 VanDerWaalsContact NE2-OE1 3.1Å; Q351-E355 WeakPolarHBondContact O-CG 3.29Å; Q351-E355 PolarHBondContact O-N 3.23Å; V352-E355 PolarHBondContact O-N 3.31Å; E355-Q357 VanDerWaalsContact C-N 3.31Å; E355-Q357 PolarHBondContact O-N 3.04Å; E355-E358 PolarHBondContact O-N 3.1Å; E355-L359 WeakPolarHBondContact O-CB 3.43Å; E355-L359 VanDerWaalsContact O-CG 3.28Å; E355-L359 WeakPolarHBondContact O-CG 3.47Å; E355-L359 PolarHBondContact O-N 3.15Å |
| 356 | I | 83.2 | Confident | 82 | Confident | 76 Ų | 76 | 100.6 Ų | 100.6 | 39% | 0.39 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 175.8 | -70.4 | 167.1 | 0 | 0 | 0 | 111.2 | V352 L353 D354 K360 | V352-I356 HydrophobicContact CG1-CD1 3.86Å; V352-I356 HydrophobicContact CG1-CG1 4.44Å; V352-I356 WeakPolarHBondContact O-CB 3.29Å; V352-I356 VanDerWaalsContact O-CG1 3.23Å; V352-I356 WeakPolarHBondContact O-CG1 3.39Å; V352-I356 PolarHBondContact O-N 3.08Å; L353-I356 PolarHBondContact O-N 2.94Å; D354-I356 PolarHBondContact O-N 3.29Å; I356-K360 WeakPolarHBondContact O-CB 3.46Å; I356-K360 PolarHBondContact O-N 2.97Å |
| 357 | Q | 86.1 | Confident | 81.4 | Confident | 117 Ų | 117 | 103.5 Ų | 103.5 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 175.8 | -74.5 | -174.7 | 22.1 | 0 | 0 | 111.9 | L353 D354 E355 K360 A361 | L353-Q357 WeakPolarHBondContact O-CG 3.37Å; L353-Q357 PolarHBondContact O-N 3.5Å; D354-Q357 WeakPolarHBondContact O-CB 3.4Å; D354-Q357 PolarHBondContact O-N 3.08Å; D354-Q357 VanDerWaalsContact O-N 3.12Å; E355-Q357 VanDerWaalsContact C-N 3.31Å; E355-Q357 PolarHBondContact O-N 3.04Å; Q357-K360 WeakPolarHBondContact O-CB 3.37Å; Q357-K360 PolarHBondContact O-N 3.22Å; Q357-A361 PolarHBondContact O-N 2.86Å |
| 358 | E | 91 | Very high | 80.6 | Confident | 127 Ų | 127 | 106.5 Ų | 106.5 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -47.7 | 174.7 | -174.1 | 177.3 | -174.9 | 0 | 0 | 111 | D354 E355 K360 A361 L362 | D354-E358 PolarHBondContact O-N 3.3Å; E355-E358 PolarHBondContact O-N 3.1Å; E358-K360 VanDerWaalsContact C-N 3.3Å; E358-K360 PolarHBondContact O-N 3.29Å; E358-A361 WeakPolarHBondContact O-CA 3.36Å; E358-A361 WeakPolarHBondContact O-CB 3.46Å; E358-A361 PolarHBondContact O-N 3.5Å; E358-L362 HydrophobicContact CG-CD1 4.4Å; E358-L362 WeakPolarHBondContact O-CG 3.36Å; E358-L362 PolarHBondContact O-N 2.92Å |
| 359 | L | 83.9 | Confident | 79.1 | Confident | 93 Ų | 93 | 103.5 Ų | 103.5 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 174.3 | -72.3 | 173.1 | 0 | 0 | 0 | 111.2 | E355 A361 L362 Y363 | E355-L359 WeakPolarHBondContact O-CB 3.43Å; E355-L359 VanDerWaalsContact O-CG 3.28Å; E355-L359 WeakPolarHBondContact O-CG 3.47Å; E355-L359 PolarHBondContact O-N 3.15Å; L359-A361 VanDerWaalsContact C-N 3.28Å; L359-A361 PolarHBondContact O-N 3.46Å; L359-L362 PolarHBondContact O-N 2.79Å; L359-Y363 WeakPolarHBondContact O-CB 3.15Å; L359-Y363 VanDerWaalsContact O-CD2 3.27Å; L359-Y363 WeakPolarHBondContact O-CD2 3.33Å; L359-Y363 PolarHBondContact O-N 2.77Å |
| 360 | K | 80.9 | Confident | 77.2 | Confident | 98 Ų | 98 | 106.4 Ų | 106.4 | 43% | 0.426 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.2 | -36.1 | 173.8 | -107.3 | -178.8 | 174 | 177.1 | 0 | 112.9 | I356 Q357 E358 R364 | I356-K360 WeakPolarHBondContact O-CB 3.46Å; I356-K360 PolarHBondContact O-N 2.97Å; Q357-K360 WeakPolarHBondContact O-CB 3.37Å; Q357-K360 PolarHBondContact O-N 3.22Å; E358-K360 VanDerWaalsContact C-N 3.3Å; E358-K360 PolarHBondContact O-N 3.29Å; K360-R364 PolarHBondContact O-N 2.86Å; K360-R364 VanDerWaalsContact O-N 3.12Å |
| 361 | A | 85.3 | Confident | 75.8 | Confident | 34 Ų | 34 | 107 Ų | 107 | 28% | 0.281 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.5 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q357 E358 L359 R364 Q365 | Q357-A361 PolarHBondContact O-N 2.86Å; E358-A361 WeakPolarHBondContact O-CA 3.36Å; E358-A361 WeakPolarHBondContact O-CB 3.46Å; E358-A361 PolarHBondContact O-N 3.5Å; L359-A361 VanDerWaalsContact C-N 3.28Å; L359-A361 PolarHBondContact O-N 3.46Å; A361-R364 PolarHBondContact O-N 3.45Å; A361-Q365 WeakPolarHBondContact O-CG 3.44Å; A361-Q365 PolarHBondContact O-N 3.29Å; A361-Q365 VanDerWaalsContact O-N 3.11Å |
| 362 | L | 87.1 | Confident | 73.6 | Confident | 75 Ų | 75 | 109.6 Ų | 109.6 | 39% | 0.393 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -45.2 | 176.3 | -66.7 | 174 | 0 | 0 | 0 | 111.7 | E358 L359 R364 Q365 L366 | E358-L362 HydrophobicContact CG-CD1 4.4Å; E358-L362 WeakPolarHBondContact O-CG 3.36Å; E358-L362 PolarHBondContact O-N 2.92Å; L359-L362 PolarHBondContact O-N 2.79Å; L362-R364 VanDerWaalsContact C-N 3.29Å; L362-R364 PolarHBondContact O-N 3.32Å; L362-Q365 WeakPolarHBondContact O-CA 3.43Å; L362-Q365 WeakPolarHBondContact O-CB 3.26Å; L362-Q365 PolarHBondContact O-N 3.48Å; L362-L366 WeakPolarHBondContact O-CD1 3.34Å; L362-L366 PolarHBondContact O-N 3.36Å |
| 363 | Y | 77.3 | Confident | 72 | Confident | 168 Ų | 168 | 111.5 Ų | 111.5 | 66% | 0.659 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61 | -36.6 | 175.4 | -90.2 | -77.2 | 0 | 0 | 0 | 112.5 | L359 Q365 L366 E367 | L359-Y363 WeakPolarHBondContact O-CB 3.15Å; L359-Y363 VanDerWaalsContact O-CD2 3.27Å; L359-Y363 WeakPolarHBondContact O-CD2 3.33Å; L359-Y363 PolarHBondContact O-N 2.77Å; Y363-Q365 VanDerWaalsContact C-N 3.31Å; Y363-Q365 PolarHBondContact O-N 2.99Å; Y363-L366 PolarHBondContact O-N 3.04Å; Y363-E367 PolarHBondContact O-N 3.01Å; Y363-E367 VanDerWaalsContact O-N 3.14Å |
| 364 | R | 83.7 | Confident | 70.1 | Confident | 179 Ų | 179 | 116 Ų | 116 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.4 | -28.7 | 172 | -86.1 | -169.3 | -65.5 | -149.5 | -0.2 | 113.7 | K360 A361 L362 L366 | K360-R364 PolarHBondContact O-N 2.86Å; K360-R364 VanDerWaalsContact O-N 3.12Å; A361-R364 PolarHBondContact O-N 3.45Å; L362-R364 VanDerWaalsContact C-N 3.29Å; L362-R364 PolarHBondContact O-N 3.32Å; R364-L366 VanDerWaalsContact C-N 3.34Å |
| 365 | Q | 77.8 | Confident | 68.1 | Low | 154 Ų | 154 | 121.4 Ų | 121.4 | 72% | 0.72 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -76.2 | -25.3 | 174.2 | -67.1 | 173 | 19 | 0 | 0 | 112.3 | A361 L362 Y363 | A361-Q365 WeakPolarHBondContact O-CG 3.44Å; A361-Q365 PolarHBondContact O-N 3.29Å; A361-Q365 VanDerWaalsContact O-N 3.11Å; L362-Q365 WeakPolarHBondContact O-CA 3.43Å; L362-Q365 WeakPolarHBondContact O-CB 3.26Å; L362-Q365 PolarHBondContact O-N 3.48Å; Y363-Q365 VanDerWaalsContact C-N 3.31Å; Y363-Q365 PolarHBondContact O-N 2.99Å |
| 366 | L | 74.1 | Confident | 66.1 | Low | 133 Ų | 133 | 123 Ų | 123 | 70% | 0.696 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -90 | -13.2 | -179.7 | -80 | 148.5 | 0 | 0 | 0 | 114 | L362 Y363 R364 P368 | L362-L366 WeakPolarHBondContact O-CD1 3.34Å; L362-L366 PolarHBondContact O-N 3.36Å; Y363-L366 PolarHBondContact O-N 3.04Å; R364-L366 VanDerWaalsContact C-N 3.34Å; L366-P368 VanDerWaalsContact O-CD 3.22Å; L366-P368 WeakPolarHBondContact O-CD 3.23Å |
| 367 | E | 68.1 | Low | 63.9 | Low | 154 Ų | 154 | 126.3 Ų | 126.3 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | trans | -68.2 | 113.5 | 171.8 | -96.9 | -170.4 | 153.3 | 0 | 0 | 110.7 | Y363 G369 | Y363-E367 PolarHBondContact O-N 3.01Å; Y363-E367 VanDerWaalsContact O-N 3.14Å; E367-G369 PolarHBondContact O-N 3.16Å | ||
| 368 | P | 60.2 | Low | 62.1 | Low | 138 Ų | 138 | 132.1 Ų | 132.1 | 90% | 0.896 | 70% | 0.698 | S | S | * | * | trans | -85.1 | 99.5 | 176.4 | 17.4 | -1.4 | 0 | 0 | 0 | 109.1 | L366 | L366-P368 VanDerWaalsContact O-CD 3.22Å; L366-P368 WeakPolarHBondContact O-CD 3.23Å | ||
| 369 | G | 46.7 | Very low | 60 | Low | 70 Ų | 70 | 134.8 Ų | 134.8 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | trans | 179.4 | 49 | 179.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | E367 | E367-G369 PolarHBondContact O-N 3.16Š| ||
| 370 | C | 35.7 | Very low | 58 | Low | 130 Ų | 130 | 135.7 Ų | 135.7 | 88% | 0.878 | 72% | 0.722 | S | S | * | * | 164.9 | 151.6 | 123.3 | -106.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 371 | P | 53.3 | Low | 56.1 | Low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -93.1 | 130.1 | -158.1 | 35.2 | -29.4 | 0 | 0 | 0 | 111.8 | ||||
| 372 | N | 37.3 | Very low | 53.9 | Low | 169 Ų | 169 | 149.1 Ų | 149.1 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -118 | 103.2 | 150.4 | -82.5 | -23.1 | 0 | 0 | 0 | 108.7 | T374 | N372-T374 PolarHBondContact O-N 3.3Š| ||
| 373 | S | 49.7 | Very low | 52.3 | Low | 106 Ų | 106 | 152.8 Ų | 152.8 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -47.3 | 126.3 | 168.7 | 166.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 374 | T | 41.3 | Very low | 51 | Low | 136 Ų | 136 | 152 Ų | 152 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -155.3 | 86.4 | 137.7 | 8.2 | 0 | 0 | 0 | 0 | 108.1 | N372 | N372-T374 PolarHBondContact O-N 3.3Š| ||
| 375 | K | 41.5 | Very low | 49.1 | Very low | 194 Ų | 194 | 150.5 Ų | 150.5 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -62.6 | 133.2 | 160.8 | -66.4 | -178.9 | 179.2 | 178.5 | 0 | 107.6 | N377 | K375-N377 PolarHBondContact O-N 3.24Š| ||
| 376 | P | 44.3 | Very low | 47.5 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | trans | -71.2 | 118.4 | 168 | 28.6 | -29 | 0 | 0 | 0 | 107.9 | R378 | P376-R378 PolarHBondContact O-N 2.92Å; P376-R378 VanDerWaalsContact O-N 3.09Å | ||
| 377 | N | 37.5 | Very low | 45.8 | Very low | 145 Ų | 145 | 151.4 Ų | 151.4 | 78% | 0.775 | 84% | 0.837 | S | S | * | * | trans | -67.2 | 103.4 | 176.7 | -169.4 | 4.9 | 0 | 0 | 0 | 109 | K375 K379 | K375-N377 PolarHBondContact O-N 3.24Å; N377-K379 PolarHBondContact O-N 3.42Å | ||
| 378 | R | 48.3 | Very low | 44.3 | Very low | 238 Ų | 238 | 151.2 Ų | 151.2 | 90% | 0.898 | 85% | 0.845 | S | S | * | * | trans | -88.1 | 84.9 | 170.3 | -164.4 | 179.3 | -178.1 | 179.8 | 0.8 | 107.9 | P376 | P376-R378 PolarHBondContact O-N 2.92Å; P376-R378 VanDerWaalsContact O-N 3.09Å | ||
| 379 | K | 47 | Very low | 43.2 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 80% | 0.796 | 84% | 0.841 | S | S | * | * | trans | -178.9 | 102.8 | 162.9 | -99.7 | 162.5 | -168.7 | -167.6 | 0 | 109 | N377 | N377-K379 PolarHBondContact O-N 3.42Š| ||
| 380 | S | 41.3 | Very low | 42.9 | Very low | 112 Ų | 112 | 158.5 Ų | 158.5 | 78% | 0.783 | 85% | 0.85 | S | S | * | * | trans | 167.1 | 151 | 133.5 | -158.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 381 | L | 40.9 | Very low | 43.5 | Very low | 154 Ų | 154 | 160.8 Ų | 160.8 | 81% | 0.806 | 85% | 0.848 | S | S | * | * | trans | 82.1 | 105.4 | -177.4 | -82.9 | 82.7 | 0 | 0 | 0 | 114.3 | ||||
| 382 | M | 39.5 | Very low | 42.6 | Very low | 260 Ų | 260 | 165.6 Ų | 165.6 | 100% | 1.281 | 86% | 0.861 | S | S | * | * | cis | 50.6 | 0 | 46.3 | -95.9 | -164.1 | 174 | 0 | 0 | 113.1 |
Retrieved 382 of 382 residues in 525.2 ms
(Link to these results)