| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.3 | Very low | 48 | Very low | 231 Ų | 231 | 164.2 Ų | 164.2 | 100% | 1.138 | 79% | 0.788 | S | S | * | * | 0 | -13.5 | 0 | -76.3 | 179.8 | 176.5 | 0 | 0 | 114.5 | R3 K4 | M1-R3 PolarHBondContact O-N 2.95Å; M1-K4 PolarHBondContact O-N 2.92Å | |||
| 2 | I | 45.1 | Very low | 48.5 | Very low | 138 Ų | 138 | 159 Ų | 159 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -62.9 | -23 | -179.1 | -61.9 | 169.9 | 0 | 0 | 0 | 113.8 | K4 Y6 | I2-K4 VanDerWaalsContact C-N 3.31Å; I2-K4 PolarHBondContact O-N 3.38Å; I2-Y6 HydrophobicContact CG2-CE2 4.05Å |
| 3 | R | 46.7 | Very low | 49.1 | Very low | 240 Ų | 240 | 153.8 Ų | 153.8 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -69.4 | -18 | -177.2 | -112.5 | -178.2 | -172.4 | 176.5 | 2.3 | 115.7 | M1 | M1-R3 PolarHBondContact O-N 2.95Š|
| 4 | K | 46.1 | Very low | 50.7 | Low | 195 Ų | 195 | 149.7 Ų | 149.7 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -88.2 | -11.2 | -178.3 | -86.7 | -171.5 | 174.3 | -174.6 | 0 | 114.6 | M1 I2 | M1-K4 PolarHBondContact O-N 2.92Å; I2-K4 VanDerWaalsContact C-N 3.31Å; I2-K4 PolarHBondContact O-N 3.38Å |
| 5 | A | 48.3 | Very low | 52.3 | Low | 67 Ų | 67 | 144.9 Ų | 144.9 | 55% | 0.554 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -17.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 6 | Y | 51.2 | Low | 54.2 | Low | 177 Ų | 177 | 142.1 Ų | 142.1 | 69% | 0.694 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -6 | -171.6 | -73.8 | -80.6 | 0 | 0 | 0 | 115.1 | I2 | I2-Y6 HydrophobicContact CG2-CE2 4.05Š|
| 7 | H | 48 | Very low | 55.9 | Low | 178 Ų | 178 | 137.9 Ų | 137.9 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -94.4 | -14.1 | -173.6 | -117.1 | -37.1 | 0 | 0 | 0 | 115.1 | ||
| 8 | E | 45.5 | Very low | 57.7 | Low | 181 Ų | 181 | 135.3 Ų | 135.3 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -86.2 | -17.9 | 177.4 | -87 | -179.9 | 163 | 0 | 0 | 113.7 | G10 | E8-G10 PolarHBondContact O-N 3.19Š|
| 9 | Y | 54 | Low | 59.5 | Low | 190 Ų | 190 | 132.7 Ų | 132.7 | 75% | 0.745 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -96.8 | 83.7 | 171.6 | -61.9 | -77 | 0 | 0 | 0 | 108.4 | I11 | Y9-I11 PolarHBondContact O-N 3.27Š|
| 10 | G | 49.1 | Very low | 61.1 | Low | 65 Ų | 65 | 133.2 Ų | 133.2 | 67% | 0.67 | 67% | 0.667 | S | S | * | * | trans | -42.4 | 118.1 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | E8 V12 | E8-G10 PolarHBondContact O-N 3.19Å; G10-V12 PolarHBondContact O-N 3.23Å | ||
| 11 | I | 49.6 | Very low | 62.6 | Low | 144 Ų | 144 | 130.6 Ų | 130.6 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | trans | -65 | 88 | -177.9 | -58.3 | 165.4 | 0 | 0 | 0 | 106.3 | Y9 N13 | Y9-I11 PolarHBondContact O-N 3.27Å; I11-N13 PolarHBondContact O-N 3.37Å; I11-N13 VanDerWaalsContact O-N 3.09Å | ||
| 12 | V | 53.7 | Low | 64.9 | Low | 102 Ų | 102 | 126.2 Ų | 126.2 | 62% | 0.618 | 63% | 0.629 | S | S | * | * | trans | -56.5 | 114 | 156.9 | 179.2 | 0 | 0 | 0 | 0 | 103.8 | G10 V14 V17 | G10-V12 PolarHBondContact O-N 3.23Å; V12-V14 PolarHBondContact O-N 2.99Å; V12-V17 HydrophobicContact CG1-CG2 3.53Å | ||
| 13 | N | 57.1 | Low | 67.2 | Low | 92 Ų | 92 | 123.9 Ų | 123.9 | 49% | 0.492 | 62% | 0.618 | S | S | . | * | trans | -53.6 | 109.4 | -179.8 | -108.4 | -11.9 | 0 | 0 | 0 | 107.3 | I11 T15 D16 | I11-N13 PolarHBondContact O-N 3.37Å; I11-N13 VanDerWaalsContact O-N 3.09Å; N13-T15 PolarHBondContact O-N 2.77Å; N13-D16 HydrophobicContact CB-CB 4.43Å; N13-D16 WeakPolarHBondContact CB-OD2 3.42Å; N13-D16 PolarHBondContact O-N 2.87Å | ||
| 14 | V | 70.9 | Confident | 69.5 | Low | 96 Ų | 96 | 116.8 Ų | 116.8 | 58% | 0.582 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -53.9 | -28.8 | -177.3 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | V12 E18 | V12-V14 PolarHBondContact O-N 2.99Å; V14-E18 HydrophobicContact CG1-CG 4.44Å; V14-E18 WeakPolarHBondContact O-CB 3.4Å; V14-E18 WeakPolarHBondContact O-CG 3.28Å; V14-E18 PolarHBondContact O-N 3.44Å |
| 15 | T | 75.5 | Confident | 71.8 | Confident | 77 Ų | 77 | 112.5 Ų | 112.5 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.1 | -40 | 174.4 | 49.6 | 0 | 0 | 0 | 0 | 114.5 | N13 E18 D19 | N13-T15 PolarHBondContact O-N 2.77Å; T15-E18 PolarHBondContact O-N 2.86Å; T15-D19 WeakPolarHBondContact O-CB 3.16Å; T15-D19 PolarHBondContact O-N 3.32Å |
| 16 | D | 81.8 | Confident | 74.1 | Confident | 101 Ų | 101 | 116.3 Ų | 116.3 | 54% | 0.54 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.2 | -40.2 | -177.6 | -66 | -22 | 0 | 0 | 0 | 110.6 | N13 D19 E20 | N13-D16 HydrophobicContact CB-CB 4.43Å; N13-D16 WeakPolarHBondContact CB-OD2 3.42Å; N13-D16 PolarHBondContact O-N 2.87Å; D16-D19 PolarHBondContact O-N 2.92Å; D16-E20 WeakPolarHBondContact O-CB 3.34Å; D16-E20 PolarHBondContact O-N 2.83Å |
| 17 | V | 83.9 | Confident | 76.3 | Confident | 70 Ų | 70 | 113 Ų | 113 | 42% | 0.424 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.9 | -42.6 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | V12 D19 E20 V21 | V12-V17 HydrophobicContact CG1-CG2 3.53Å; V17-D19 PolarHBondContact O-N 3.41Å; V17-E20 PolarHBondContact O-N 3.21Å; V17-V21 HydrophobicContact CG1-CG2 4.46Å; V17-V21 WeakPolarHBondContact O-CB 3.39Å; V17-V21 VanDerWaalsContact O-CG2 3.27Å; V17-V21 WeakPolarHBondContact O-CG2 3.1Å; V17-V21 PolarHBondContact O-N 3.47Å |
| 18 | E | 87.9 | Confident | 78.6 | Confident | 92 Ų | 92 | 110.5 Ų | 110.5 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.7 | -42.7 | 176.2 | -81.8 | -174.6 | -159.6 | 0 | 0 | 112.4 | V14 T15 V21 R22 | V14-E18 HydrophobicContact CG1-CG 4.44Å; V14-E18 WeakPolarHBondContact O-CB 3.4Å; V14-E18 WeakPolarHBondContact O-CG 3.28Å; V14-E18 PolarHBondContact O-N 3.44Å; T15-E18 PolarHBondContact O-N 2.86Å; E18-V21 PolarHBondContact O-N 3.49Å; E18-R22 WeakPolarHBondContact O-CB 3.26Å; E18-R22 VanDerWaalsContact O-CG 3.23Å; E18-R22 WeakPolarHBondContact O-CG 3.49Å; E18-R22 PolarHBondContact O-N 2.97Å; E18-R22 IonicContact OE2-CZ 3.68Å; E18-R22 IonicContact OE2-NH2 3.9Å; E18-R22 PolarHBondContact OE2-NH2 2.9Å |
| 19 | D | 91.1 | Very high | 81 | Confident | 86 Ų | 86 | 109.1 Ų | 109.1 | 46% | 0.46 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.6 | -35.8 | -179.8 | -76.2 | -22 | 0 | 0 | 0 | 112.5 | T15 D16 V17 R22 L23 | T15-D19 WeakPolarHBondContact O-CB 3.16Å; T15-D19 PolarHBondContact O-N 3.32Å; D16-D19 PolarHBondContact O-N 2.92Å; V17-D19 PolarHBondContact O-N 3.41Å; D19-R22 PolarHBondContact O-N 3.42Å; D19-R22 IonicContact OD1-CZ 3.08Å; D19-R22 IonicContact OD1-NH1 3.8Å; D19-R22 PolarHBondContact OD1-NH1 3.33Å; D19-L23 WeakPolarHBondContact O-CB 3.45Å; D19-L23 PolarHBondContact O-N 3.39Å |
| 20 | E | 92 | Very high | 83 | Confident | 141 Ų | 141 | 103.8 Ų | 103.8 | 66% | 0.659 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -45.4 | 172.5 | -172.6 | 172 | -162.8 | 0 | 0 | 111.6 | D16 V17 R22 L23 E24 | D16-E20 WeakPolarHBondContact O-CB 3.34Å; D16-E20 PolarHBondContact O-N 2.83Å; V17-E20 PolarHBondContact O-N 3.21Å; E20-R22 PolarHBondContact O-N 3.43Å; E20-L23 PolarHBondContact O-N 2.95Å; E20-E24 PolarHBondContact O-N 2.99Å |
| 21 | V | 92 | Very high | 85.3 | Confident | 79 Ų | 79 | 104 Ų | 104 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 111 | V17 E18 L23 E24 I25 | V17-V21 HydrophobicContact CG1-CG2 4.46Å; V17-V21 WeakPolarHBondContact O-CB 3.39Å; V17-V21 VanDerWaalsContact O-CG2 3.27Å; V17-V21 WeakPolarHBondContact O-CG2 3.1Å; V17-V21 PolarHBondContact O-N 3.47Å; E18-V21 PolarHBondContact O-N 3.49Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 3.2Å; V21-E24 PolarHBondContact O-N 2.89Å; V21-I25 HydrophobicContact CG1-CD1 3.74Å; V21-I25 HydrophobicContact CG1-CG1 4.37Å; V21-I25 WeakPolarHBondContact O-CB 3.26Å; V21-I25 VanDerWaalsContact O-CG1 3.23Å; V21-I25 WeakPolarHBondContact O-CG1 3.05Å; V21-I25 PolarHBondContact O-N 2.85Å |
| 22 | R | 93.6 | Very high | 87.5 | Confident | 140 Ų | 140 | 99.9 Ų | 99.9 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 176.3 | -73.8 | 171 | -165.3 | 167.2 | 3.8 | 112.2 | E18 D19 E20 R26 | E18-R22 WeakPolarHBondContact O-CB 3.26Å; E18-R22 VanDerWaalsContact O-CG 3.23Å; E18-R22 WeakPolarHBondContact O-CG 3.49Å; E18-R22 PolarHBondContact O-N 2.97Å; E18-R22 IonicContact OE2-CZ 3.68Å; E18-R22 IonicContact OE2-NH2 3.9Å; E18-R22 PolarHBondContact OE2-NH2 2.9Å; D19-R22 PolarHBondContact O-N 3.42Å; D19-R22 IonicContact OD1-CZ 3.08Å; D19-R22 IonicContact OD1-NH1 3.8Å; D19-R22 PolarHBondContact OD1-NH1 3.33Å; E20-R22 PolarHBondContact O-N 3.43Å; R22-R26 WeakPolarHBondContact O-CB 2.85Å; R22-R26 PolarHBondContact O-N 2.77Å |
| 23 | L | 93.7 | Very high | 89.5 | Confident | 88 Ų | 88 | 102.3 Ų | 102.3 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.2 | -176.9 | 66 | 0 | 0 | 0 | 111.3 | D19 E20 V21 R26 K27 | D19-L23 WeakPolarHBondContact O-CB 3.45Å; D19-L23 PolarHBondContact O-N 3.39Å; E20-L23 PolarHBondContact O-N 2.95Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 3.2Å; L23-R26 WeakPolarHBondContact O-CB 3.47Å; L23-R26 PolarHBondContact O-N 3.06Å; L23-K27 WeakPolarHBondContact O-CG 3.45Å; L23-K27 PolarHBondContact O-N 2.8Å |
| 24 | E | 94.8 | Very high | 91.4 | Very high | 92 Ų | 92 | 100.6 Ų | 100.6 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 179.8 | -160 | 57.3 | -147.2 | 0 | 0 | 111.8 | E20 V21 R26 K27 M28 | E20-E24 PolarHBondContact O-N 2.99Å; V21-E24 PolarHBondContact O-N 2.89Å; E24-R26 VanDerWaalsContact C-N 3.27Å; E24-R26 PolarHBondContact O-N 3.26Å; E24-K27 PolarHBondContact O-N 2.98Å; E24-K27 WeakPolarHBondContact OE2-CD 3.42Å; E24-K27 IonicContact OE2-NZ 3Å; E24-K27 PolarHBondContact OE2-NZ 2.84Å; E24-K27 VanDerWaalsContact OE2-NZ 3.08Å; E24-M28 WeakPolarHBondContact O-CB 3.34Å; E24-M28 WeakPolarHBondContact O-CG 3.33Å; E24-M28 PolarHBondContact O-N 2.87Å |
| 25 | I | 94.7 | Very high | 92.6 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 54% | 0.538 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.5 | -41.9 | 170.4 | -70.5 | 168.7 | 0 | 0 | 0 | 110.7 | V21 M28 R29 | V21-I25 HydrophobicContact CG1-CD1 3.74Å; V21-I25 HydrophobicContact CG1-CG1 4.37Å; V21-I25 WeakPolarHBondContact O-CB 3.26Å; V21-I25 VanDerWaalsContact O-CG1 3.23Å; V21-I25 WeakPolarHBondContact O-CG1 3.05Å; V21-I25 PolarHBondContact O-N 2.85Å; I25-M28 PolarHBondContact O-N 3.44Å; I25-R29 VanDerWaalsContact O-CB 3.31Å; I25-R29 WeakPolarHBondContact O-CB 3.4Å; I25-R29 PolarHBondContact O-N 3.45Å |
| 26 | R | 96 | Very high | 93.6 | Very high | 147 Ų | 147 | 100.2 Ų | 100.2 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.4 | -47.6 | 177 | -172.6 | -178.5 | -66.6 | 177.8 | -0.1 | 111.4 | R22 L23 E24 R29 D30 | R22-R26 WeakPolarHBondContact O-CB 2.85Å; R22-R26 PolarHBondContact O-N 2.77Å; L23-R26 WeakPolarHBondContact O-CB 3.47Å; L23-R26 PolarHBondContact O-N 3.06Å; E24-R26 VanDerWaalsContact C-N 3.27Å; E24-R26 PolarHBondContact O-N 3.26Å; R26-R29 PolarHBondContact O-N 2.72Å; R26-D30 WeakPolarHBondContact O-CB 3.23Å; R26-D30 PolarHBondContact O-N 2.88Å |
| 27 | K | 96.6 | Very high | 94.3 | Very high | 106 Ų | 106 | 97.7 Ų | 97.7 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 176.4 | -71.1 | 170.9 | -174.5 | 166.6 | 0 | 112.1 | L23 E24 R29 D30 C31 | L23-K27 WeakPolarHBondContact O-CG 3.45Å; L23-K27 PolarHBondContact O-N 2.8Å; E24-K27 PolarHBondContact O-N 2.98Å; E24-K27 WeakPolarHBondContact OE2-CD 3.42Å; E24-K27 IonicContact OE2-NZ 3Å; E24-K27 PolarHBondContact OE2-NZ 2.84Å; E24-K27 VanDerWaalsContact OE2-NZ 3.08Å; K27-R29 VanDerWaalsContact C-N 3.32Å; K27-R29 PolarHBondContact O-N 3.44Å; K27-D30 PolarHBondContact O-N 3.01Å; K27-C31 WeakPolarHBondContact O-CB 3.46Å; K27-C31 PolarHBondContact O-N 3.33Å |
| 28 | M | 96.7 | Very high | 95 | Very high | 127 Ų | 127 | 103.1 Ų | 103.1 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.9 | -43.3 | 176.1 | -76.4 | -176.1 | 65.5 | 0 | 0 | 111.4 | E24 I25 C31 A32 | E24-M28 WeakPolarHBondContact O-CB 3.34Å; E24-M28 WeakPolarHBondContact O-CG 3.33Å; E24-M28 PolarHBondContact O-N 2.87Å; I25-M28 PolarHBondContact O-N 3.44Å; M28-C31 PolarHBondContact O-N 3.27Å; M28-A32 VanDerWaalsContact O-CB 3.3Å; M28-A32 WeakPolarHBondContact O-CB 3.23Å; M28-A32 PolarHBondContact O-N 3.42Å |
| 29 | R | 96.5 | Very high | 95.4 | Very high | 151 Ų | 151 | 104.4 Ų | 104.4 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -46.6 | 177.1 | -176.3 | -165.1 | 66.4 | -174.7 | 1.5 | 111.9 | I25 R26 K27 C31 A32 F33 | I25-R29 VanDerWaalsContact O-CB 3.31Å; I25-R29 WeakPolarHBondContact O-CB 3.4Å; I25-R29 PolarHBondContact O-N 3.45Å; R26-R29 PolarHBondContact O-N 2.72Å; K27-R29 VanDerWaalsContact C-N 3.32Å; K27-R29 PolarHBondContact O-N 3.44Å; R29-C31 VanDerWaalsContact C-N 3.31Å; R29-C31 PolarHBondContact O-N 3.22Å; R29-A32 PolarHBondContact O-N 3.36Å; R29-F33 WeakPolarHBondContact O-CB 3.33Å; R29-F33 PolarHBondContact O-N 3.13Å |
| 30 | D | 96.1 | Very high | 95.7 | Very high | 78 Ų | 78 | 105.7 Ų | 105.7 | 42% | 0.417 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.1 | -36.7 | -179.1 | -61.8 | -10.3 | 0 | 0 | 0 | 110.5 | R26 K27 F33 A34 | R26-D30 WeakPolarHBondContact O-CB 3.23Å; R26-D30 PolarHBondContact O-N 2.88Å; K27-D30 PolarHBondContact O-N 3.01Å; D30-F33 PolarHBondContact O-N 3Å; D30-A34 WeakPolarHBondContact O-CB 3.46Å; D30-A34 PolarHBondContact O-N 3Å |
| 31 | C | 96.9 | Very high | 95.9 | Very high | 71 Ų | 71 | 104.4 Ų | 104.4 | 48% | 0.48 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 170.6 | -176 | 0 | 0 | 0 | 0 | 112 | K27 M28 R29 F33 A34 L35 | K27-C31 WeakPolarHBondContact O-CB 3.46Å; K27-C31 PolarHBondContact O-N 3.33Å; M28-C31 PolarHBondContact O-N 3.27Å; R29-C31 VanDerWaalsContact C-N 3.31Å; R29-C31 PolarHBondContact O-N 3.22Å; C31-F33 VanDerWaalsContact C-N 3.29Å; C31-F33 PolarHBondContact O-N 2.96Å; C31-A34 PolarHBondContact O-N 2.92Å; C31-L35 WeakPolarHBondContact O-CB 3.48Å; C31-L35 WeakPolarHBondContact O-CG 3.14Å; C31-L35 PolarHBondContact O-N 3.3Å |
| 32 | A | 95.4 | Very high | 96.1 | Very high | 57 Ų | 57 | 104.6 Ų | 104.6 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.9 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M28 R29 L35 A36 | M28-A32 VanDerWaalsContact O-CB 3.3Å; M28-A32 WeakPolarHBondContact O-CB 3.23Å; M28-A32 PolarHBondContact O-N 3.42Å; R29-A32 PolarHBondContact O-N 3.36Å; A32-L35 PolarHBondContact O-N 3.36Å; A32-A36 WeakPolarHBondContact O-CB 3.44Å; A32-A36 PolarHBondContact O-N 3.46Å |
| 33 | F | 96.5 | Very high | 96.3 | Very high | 152 Ų | 152 | 103.1 Ų | 103.1 | 67% | 0.667 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -44.3 | 175.3 | -177.5 | -95.8 | 0 | 0 | 0 | 112.3 | R29 D30 C31 A36 S37 | R29-F33 WeakPolarHBondContact O-CB 3.33Å; R29-F33 PolarHBondContact O-N 3.13Å; D30-F33 PolarHBondContact O-N 3Å; C31-F33 VanDerWaalsContact C-N 3.29Å; C31-F33 PolarHBondContact O-N 2.96Å; F33-A36 PolarHBondContact O-N 2.96Å; F33-S37 WeakPolarHBondContact O-CB 3.48Å; F33-S37 PolarHBondContact O-N 3.21Å; F33-S37 PolarHBondContact O-OG 3.25Å |
| 34 | A | 96.7 | Very high | 96.5 | Very high | 57 Ų | 57 | 101.5 Ų | 101.5 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D30 C31 S37 R38 | D30-A34 WeakPolarHBondContact O-CB 3.46Å; D30-A34 PolarHBondContact O-N 3Å; C31-A34 PolarHBondContact O-N 2.92Å; A34-S37 PolarHBondContact O-N 3.05Å; A34-R38 WeakPolarHBondContact O-CB 3.39Å; A34-R38 PolarHBondContact O-N 2.97Å |
| 35 | L | 96.8 | Very high | 96.6 | Very high | 109 Ų | 109 | 101.7 Ų | 101.7 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 175.6 | -75.6 | 170.5 | 0 | 0 | 0 | 111.8 | C31 A32 S37 R38 L39 | C31-L35 WeakPolarHBondContact O-CB 3.48Å; C31-L35 WeakPolarHBondContact O-CG 3.14Å; C31-L35 PolarHBondContact O-N 3.3Å; A32-L35 PolarHBondContact O-N 3.36Å; L35-S37 VanDerWaalsContact C-N 3.34Å; L35-S37 PolarHBondContact O-N 3.4Å; L35-R38 PolarHBondContact O-N 3.37Å; L35-L39 WeakPolarHBondContact O-CB 3.46Å; L35-L39 PolarHBondContact O-N 3.44Å |
| 36 | A | 96.3 | Very high | 96.7 | Very high | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A32 F33 R38 L39 E40 | A32-A36 WeakPolarHBondContact O-CB 3.44Å; A32-A36 PolarHBondContact O-N 3.46Å; F33-A36 PolarHBondContact O-N 2.96Å; A36-R38 PolarHBondContact O-N 2.71Å; A36-L39 PolarHBondContact O-N 3.23Å; A36-E40 PolarHBondContact O-N 3.46Å |
| 37 | S | 97.4 | Very high | 96.8 | Very high | 49 Ų | 49 | 95.5 Ų | 95.5 | 34% | 0.343 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 176.6 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | F33 A34 L35 L39 E40 L41 | F33-S37 WeakPolarHBondContact O-CB 3.48Å; F33-S37 PolarHBondContact O-N 3.21Å; F33-S37 PolarHBondContact O-OG 3.25Å; A34-S37 PolarHBondContact O-N 3.05Å; L35-S37 VanDerWaalsContact C-N 3.34Å; L35-S37 PolarHBondContact O-N 3.4Å; S37-L39 VanDerWaalsContact C-N 3.34Å; S37-E40 PolarHBondContact O-N 2.98Å; S37-L41 WeakPolarHBondContact O-CG 3.42Å; S37-L41 PolarHBondContact O-N 3.39Å |
| 38 | R | 97.2 | Very high | 96.9 | Very high | 184 Ų | 184 | 97.9 Ų | 97.9 | 69% | 0.694 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66 | -36.8 | 176.5 | -173.6 | 175.9 | 180 | 176.2 | 0.4 | 112 | A34 L35 A36 T42 | A34-R38 WeakPolarHBondContact O-CB 3.39Å; A34-R38 PolarHBondContact O-N 2.97Å; L35-R38 PolarHBondContact O-N 3.37Å; A36-R38 PolarHBondContact O-N 2.71Å; R38-T42 WeakPolarHBondContact O-CB 3.38Å; R38-T42 PolarHBondContact O-N 3.03Å; R38-T42 PolarHBondContact O-OG1 3.38Å |
| 39 | L | 96.9 | Very high | 97 | Very high | 119 Ų | 119 | 99 Ų | 99 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -46.5 | 176.6 | -175.2 | 65 | 0 | 0 | 0 | 111 | L35 A36 S37 L41 T42 K43 | L35-L39 WeakPolarHBondContact O-CB 3.46Å; L35-L39 PolarHBondContact O-N 3.44Å; A36-L39 PolarHBondContact O-N 3.23Å; S37-L39 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 3.47Å; L39-T42 PolarHBondContact O-N 2.85Å; L39-K43 WeakPolarHBondContact O-CB 3.43Å; L39-K43 PolarHBondContact O-N 3.38Å |
| 40 | E | 96.8 | Very high | 97 | Very high | 112 Ų | 112 | 95.7 Ų | 95.7 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.2 | -76.7 | -58.9 | 142.8 | 0 | 0 | 112.1 | A36 S37 T42 K43 A44 | A36-E40 PolarHBondContact O-N 3.46Å; S37-E40 PolarHBondContact O-N 2.98Å; E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 3.02Å; E40-K43 PolarHBondContact O-N 2.99Å; E40-A44 WeakPolarHBondContact O-CB 3.43Å; E40-A44 PolarHBondContact O-N 3.39Å |
| 41 | L | 96.8 | Very high | 97.1 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 174.4 | -72 | 173.4 | 0 | 0 | 0 | 112.3 | S37 L39 N45 | S37-L41 WeakPolarHBondContact O-CG 3.42Å; S37-L41 PolarHBondContact O-N 3.39Å; L39-L41 PolarHBondContact O-N 3.47Å; L41-N45 VanDerWaalsContact O-CB 3.3Å; L41-N45 WeakPolarHBondContact O-CB 3.49Å; L41-N45 VanDerWaalsContact O-CG 3.27Å; L41-N45 PolarHBondContact O-N 3Å; L41-N45 PolarHBondContact O-ND2 3.18Å; L41-N45 VanDerWaalsContact O-ND2 3.14Å |
| 42 | T | 97.1 | Very high | 97.2 | Very high | 84 Ų | 84 | 102 Ų | 102 | 52% | 0.515 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 111 | R38 L39 E40 N45 G46 | R38-T42 WeakPolarHBondContact O-CB 3.38Å; R38-T42 PolarHBondContact O-N 3.03Å; R38-T42 PolarHBondContact O-OG1 3.38Å; L39-T42 PolarHBondContact O-N 2.85Å; E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 3.02Å; T42-N45 PolarHBondContact O-N 3.2Å; T42-G46 PolarHBondContact O-N 3.34Å |
| 43 | K | 97.5 | Very high | 97.3 | Very high | 109 Ų | 109 | 104.6 Ų | 104.6 | 47% | 0.474 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.7 | -51.7 | 174.8 | -179.5 | -175.2 | 171.8 | -168.5 | 0 | 111.1 | L39 E40 N45 G46 E47 | L39-K43 WeakPolarHBondContact O-CB 3.43Å; L39-K43 PolarHBondContact O-N 3.38Å; E40-K43 PolarHBondContact O-N 2.99Å; K43-N45 VanDerWaalsContact C-N 3.32Å; K43-N45 PolarHBondContact O-N 3.35Å; K43-G46 PolarHBondContact O-N 3.34Å; K43-G46 VanDerWaalsContact O-N 3.12Å; K43-E47 VanDerWaalsContact CE-OE1 3.26Å; K43-E47 WeakPolarHBondContact CE-OE1 3.45Å; K43-E47 WeakPolarHBondContact O-CG 3.45Å; K43-E47 PolarHBondContact O-N 3.48Å |
| 44 | A | 96.6 | Very high | 97.4 | Very high | 54 Ų | 54 | 102.5 Ų | 102.5 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E40 K48 | E40-A44 WeakPolarHBondContact O-CB 3.43Å; E40-A44 PolarHBondContact O-N 3.39Å; A44-K48 WeakPolarHBondContact O-CB 3.42Å; A44-K48 PolarHBondContact O-N 3.03Å |
| 45 | N | 97.2 | Very high | 97.5 | Very high | 95 Ų | 95 | 106.4 Ų | 106.4 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.9 | -78.6 | -32.6 | 0 | 0 | 0 | 112.5 | L41 T42 K43 K48 K49 | L41-N45 VanDerWaalsContact O-CB 3.3Å; L41-N45 WeakPolarHBondContact O-CB 3.49Å; L41-N45 VanDerWaalsContact O-CG 3.27Å; L41-N45 PolarHBondContact O-N 3Å; L41-N45 PolarHBondContact O-ND2 3.18Å; L41-N45 VanDerWaalsContact O-ND2 3.14Å; T42-N45 PolarHBondContact O-N 3.2Å; K43-N45 VanDerWaalsContact C-N 3.32Å; K43-N45 PolarHBondContact O-N 3.35Å; N45-K48 PolarHBondContact O-N 2.96Å; N45-K49 WeakPolarHBondContact O-CG 3.34Å; N45-K49 PolarHBondContact O-N 3.12Å |
| 46 | G | 97.8 | Very high | 97.5 | Very high | 31 Ų | 31 | 105.2 Ų | 105.2 | 32% | 0.32 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T42 K43 K48 K49 V50 | T42-G46 PolarHBondContact O-N 3.34Å; K43-G46 PolarHBondContact O-N 3.34Å; K43-G46 VanDerWaalsContact O-N 3.12Å; G46-K48 VanDerWaalsContact C-N 3.32Å; G46-K48 PolarHBondContact O-N 3.47Å; G46-K49 PolarHBondContact O-N 3Å; G46-K49 VanDerWaalsContact O-N 3.17Å; G46-V50 WeakPolarHBondContact O-CG2 3.47Å; G46-V50 PolarHBondContact O-N 2.87Å |
| 47 | E | 97.7 | Very high | 97.6 | Very high | 92 Ų | 92 | 107.9 Ų | 107.9 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 176.4 | -73.3 | 178.7 | -166.9 | 0 | 0 | 112.1 | K43 V50 K51 | K43-E47 VanDerWaalsContact CE-OE1 3.26Å; K43-E47 WeakPolarHBondContact CE-OE1 3.45Å; K43-E47 WeakPolarHBondContact O-CG 3.45Å; K43-E47 PolarHBondContact O-N 3.48Å; E47-V50 PolarHBondContact O-N 3.17Å; E47-K51 WeakPolarHBondContact O-CB 3.36Å; E47-K51 WeakPolarHBondContact O-CG 3.49Å; E47-K51 PolarHBondContact O-N 3.3Å |
| 48 | K | 98 | Very high | 97.7 | Very high | 155 Ų | 155 | 112.9 Ų | 112.9 | 67% | 0.674 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.2 | -45.1 | 175.6 | -174.9 | 178.6 | 178.3 | -179.7 | 0 | 111.8 | A44 N45 G46 K51 M52 | A44-K48 WeakPolarHBondContact O-CB 3.42Å; A44-K48 PolarHBondContact O-N 3.03Å; N45-K48 PolarHBondContact O-N 2.96Å; G46-K48 VanDerWaalsContact C-N 3.32Å; G46-K48 PolarHBondContact O-N 3.47Å; K48-K51 PolarHBondContact O-N 2.99Å; K48-M52 PolarHBondContact O-N 3.45Å |
| 49 | K | 98.1 | Very high | 97.7 | Very high | 150 Ų | 150 | 108.2 Ų | 108.2 | 65% | 0.652 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 177.8 | -73.6 | -179.4 | -179.4 | -176.7 | 0 | 111.8 | N45 G46 M52 L53 | N45-K49 WeakPolarHBondContact O-CG 3.34Å; N45-K49 PolarHBondContact O-N 3.12Å; G46-K49 PolarHBondContact O-N 3Å; G46-K49 VanDerWaalsContact O-N 3.17Å; K49-M52 PolarHBondContact O-N 3.4Å; K49-L53 WeakPolarHBondContact O-CG 3.4Å; K49-L53 PolarHBondContact O-N 3.15Å |
| 50 | V | 98.1 | Very high | 97.8 | Very high | 82 Ų | 82 | 105.7 Ų | 105.7 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | G46 E47 M52 L53 L54 | G46-V50 WeakPolarHBondContact O-CG2 3.47Å; G46-V50 PolarHBondContact O-N 2.87Å; E47-V50 PolarHBondContact O-N 3.17Å; V50-M52 VanDerWaalsContact C-N 3.3Å; V50-M52 PolarHBondContact O-N 2.9Å; V50-L53 PolarHBondContact O-N 3.01Å; V50-L54 HydrophobicContact CG1-CD1 4.01Å; V50-L54 HydrophobicContact CG1-CG 4.39Å; V50-L54 WeakPolarHBondContact O-CG 3.4Å; V50-L54 PolarHBondContact O-N 2.91Å |
| 51 | K | 98.1 | Very high | 97.8 | Very high | 146 Ų | 146 | 103.4 Ų | 103.4 | 64% | 0.635 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.2 | -40 | 175.6 | -74.8 | 175.5 | -178.2 | 173 | 0 | 112.4 | E47 K48 K55 | E47-K51 WeakPolarHBondContact O-CB 3.36Å; E47-K51 WeakPolarHBondContact O-CG 3.49Å; E47-K51 PolarHBondContact O-N 3.3Å; K48-K51 PolarHBondContact O-N 2.99Å; K51-K55 PolarHBondContact O-N 3.01Å; K51-K55 VanDerWaalsContact O-N 3.13Å |
| 52 | M | 98 | Very high | 97.9 | Very high | 137 Ų | 137 | 106.3 Ų | 106.3 | 68% | 0.675 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.4 | -44.7 | 177.2 | -169.6 | 173.7 | -171.7 | 0 | 0 | 111.9 | K48 K49 V50 K55 V56 | K48-M52 PolarHBondContact O-N 3.45Å; K49-M52 PolarHBondContact O-N 3.4Å; V50-M52 VanDerWaalsContact C-N 3.3Å; V50-M52 PolarHBondContact O-N 2.9Å; M52-K55 WeakPolarHBondContact O-CB 3.46Å; M52-K55 PolarHBondContact O-N 2.93Å; M52-V56 WeakPolarHBondContact O-CG2 3.42Å; M52-V56 PolarHBondContact O-N 3.41Å |
| 53 | L | 98.2 | Very high | 98 | Very high | 110 Ų | 110 | 108.5 Ų | 108.5 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -43.8 | 176.5 | -74.1 | 172 | 0 | 0 | 0 | 111.9 | K49 V50 K55 V56 I57 | K49-L53 WeakPolarHBondContact O-CG 3.4Å; K49-L53 PolarHBondContact O-N 3.15Å; V50-L53 PolarHBondContact O-N 3.01Å; L53-K55 VanDerWaalsContact C-N 3.27Å; L53-K55 PolarHBondContact O-N 3.32Å; L53-V56 PolarHBondContact O-N 3.3Å; L53-I57 VanDerWaalsContact O-CG1 3.3Å; L53-I57 WeakPolarHBondContact O-CG1 3.29Å; L53-I57 PolarHBondContact O-N 3.47Å |
| 54 | L | 98.2 | Very high | 98 | Very high | 109 Ų | 109 | 107.3 Ų | 107.3 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -38 | 176.2 | -72.9 | 172.7 | 0 | 0 | 0 | 112.2 | V50 K58 | V50-L54 HydrophobicContact CG1-CD1 4.01Å; V50-L54 HydrophobicContact CG1-CG 4.39Å; V50-L54 WeakPolarHBondContact O-CG 3.4Å; V50-L54 PolarHBondContact O-N 2.91Å; L54-K58 WeakPolarHBondContact O-CB 3.4Å; L54-K58 PolarHBondContact O-N 2.92Å |
| 55 | K | 98.3 | Very high | 98 | Very high | 138 Ų | 138 | 107.7 Ų | 107.7 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.8 | -48.1 | 174.3 | -173.3 | -177.1 | 175.6 | -174.5 | 0 | 111.5 | K51 M52 L53 I57 K58 D59 | K51-K55 PolarHBondContact O-N 3.01Å; K51-K55 VanDerWaalsContact O-N 3.13Å; M52-K55 WeakPolarHBondContact O-CB 3.46Å; M52-K55 PolarHBondContact O-N 2.93Å; L53-K55 VanDerWaalsContact C-N 3.27Å; L53-K55 PolarHBondContact O-N 3.32Å; K55-I57 VanDerWaalsContact C-N 3.34Å; K55-I57 PolarHBondContact O-N 3.16Å; K55-K58 PolarHBondContact O-N 3.46Å; K55-D59 PolarHBondContact O-N 3.2Å |
| 56 | V | 98.2 | Very high | 98.1 | Very high | 84 Ų | 84 | 107.6 Ų | 107.6 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 178.3 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | M52 L53 K58 D59 E60 | M52-V56 WeakPolarHBondContact O-CG2 3.42Å; M52-V56 PolarHBondContact O-N 3.41Å; L53-V56 PolarHBondContact O-N 3.3Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 3.41Å; V56-D59 PolarHBondContact O-N 3.44Å; V56-E60 VanDerWaalsContact O-CB 3.27Å; V56-E60 WeakPolarHBondContact O-CB 3.45Å; V56-E60 PolarHBondContact O-N 2.95Å |
| 57 | I | 98.1 | Very high | 98.1 | Very high | 111 Ų | 111 | 110.7 Ų | 110.7 | 57% | 0.569 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.4 | -42.7 | 177 | -69.4 | 167.1 | 0 | 0 | 0 | 110.8 | L53 K55 E60 S61 | L53-I57 VanDerWaalsContact O-CG1 3.3Å; L53-I57 WeakPolarHBondContact O-CG1 3.29Å; L53-I57 PolarHBondContact O-N 3.47Å; K55-I57 VanDerWaalsContact C-N 3.34Å; K55-I57 PolarHBondContact O-N 3.16Å; I57-E60 PolarHBondContact O-N 3.45Å; I57-S61 VanDerWaalsContact O-CB 3.26Å; I57-S61 WeakPolarHBondContact O-CB 3.5Å; I57-S61 PolarHBondContact O-N 3.41Å |
| 58 | K | 98.2 | Very high | 98.1 | Very high | 154 Ų | 154 | 111.6 Ų | 111.6 | 67% | 0.67 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | 178 | -173.5 | 178.8 | -179.9 | 179 | 0 | 112.1 | L54 K55 V56 R62 | L54-K58 WeakPolarHBondContact O-CB 3.4Å; L54-K58 PolarHBondContact O-N 2.92Å; K55-K58 PolarHBondContact O-N 3.46Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 3.41Å; K58-R62 WeakPolarHBondContact O-CB 3.36Å; K58-R62 PolarHBondContact O-N 2.67Å |
| 59 | D | 98.2 | Very high | 98.1 | Very high | 86 Ų | 86 | 108.9 Ų | 108.9 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 178.4 | -69.1 | -19.2 | 0 | 0 | 0 | 110.9 | K55 V56 R62 R63 | K55-D59 PolarHBondContact O-N 3.2Å; V56-D59 PolarHBondContact O-N 3.44Å; D59-R62 PolarHBondContact O-N 3.38Å; D59-R63 WeakPolarHBondContact O-CB 3.41Å; D59-R63 PolarHBondContact O-N 3.29Å |
| 60 | E | 98.3 | Very high | 98.1 | Very high | 67 Ų | 67 | 105.3 Ų | 105.3 | 31% | 0.313 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -43.9 | 176.9 | 178.8 | 56.3 | -159.2 | 0 | 0 | 112.4 | V56 I57 R62 R63 Q64 | V56-E60 VanDerWaalsContact O-CB 3.27Å; V56-E60 WeakPolarHBondContact O-CB 3.45Å; V56-E60 PolarHBondContact O-N 2.95Å; I57-E60 PolarHBondContact O-N 3.45Å; E60-R62 VanDerWaalsContact C-N 3.31Å; E60-R62 PolarHBondContact O-N 3.08Å; E60-R63 VanDerWaalsContact CD-NH2 3.27Å; E60-R63 WeakPolarHBondContact O-CB 3.48Å; E60-R63 PolarHBondContact O-N 3.39Å; E60-R63 VanDerWaalsContact O-N 3.12Å; E60-R63 IonicContact OE1-CZ 3.37Å; E60-R63 IonicContact OE1-NE 2.8Å; E60-R63 IonicContact OE1-NH2 3.1Å; E60-R63 PolarHBondContact OE1-NH2 3.47Å; E60-R63 IonicContact OE2-CZ 2.98Å; E60-R63 IonicContact OE2-NE 2.65Å; E60-R63 PolarHBondContact OE2-NE 3.15Å; E60-R63 IonicContact OE2-NH2 3.51Å; E60-R63 PolarHBondContact OE2-NH2 3.41Å; E60-R63 VanDerWaalsContact OE2-NH2 3.1Å; E60-Q64 WeakPolarHBondContact O-CG 3.31Å; E60-Q64 PolarHBondContact O-N 2.94Å; E60-Q64 PolarHBondContact OE1-NE2 3.04Å |
| 61 | S | 98.1 | Very high | 98 | Very high | 63 Ų | 63 | 105 Ų | 105 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | I57 R63 Q64 T65 | I57-S61 VanDerWaalsContact O-CB 3.26Å; I57-S61 WeakPolarHBondContact O-CB 3.5Å; I57-S61 PolarHBondContact O-N 3.41Å; S61-R63 VanDerWaalsContact C-N 3.34Å; S61-R63 PolarHBondContact O-N 2.9Å; S61-Q64 PolarHBondContact O-N 2.86Å; S61-T65 PolarHBondContact O-N 3.24Å; S61-T65 VanDerWaalsContact O-N 3.07Å; S61-T65 PolarHBondContact O-OG1 3.36Å |
| 62 | R | 98.2 | Very high | 97.9 | Very high | 176 Ų | 176 | 103.9 Ų | 103.9 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 174.4 | -177.5 | -178.2 | 179.4 | -175.1 | 0.5 | 111.9 | K58 D59 E60 Q64 T65 L66 | K58-R62 WeakPolarHBondContact O-CB 3.36Å; K58-R62 PolarHBondContact O-N 2.67Å; D59-R62 PolarHBondContact O-N 3.38Å; E60-R62 VanDerWaalsContact C-N 3.31Å; E60-R62 PolarHBondContact O-N 3.08Å; R62-Q64 VanDerWaalsContact C-N 3.32Å; R62-T65 PolarHBondContact O-N 3.39Å; R62-L66 HydrophobicContact CG-CD1 4.34Å; R62-L66 WeakPolarHBondContact O-CG 3.31Å; R62-L66 PolarHBondContact O-N 3.46Å; R62-L66 VanDerWaalsContact O-N 3.08Å |
| 63 | R | 98.1 | Very high | 97.8 | Very high | 130 Ų | 130 | 102.6 Ų | 102.6 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 178.4 | -169.7 | -174.6 | 69.8 | 80.8 | -1.1 | 111.5 | D59 E60 S61 L66 M67 | D59-R63 WeakPolarHBondContact O-CB 3.41Å; D59-R63 PolarHBondContact O-N 3.29Å; E60-R63 VanDerWaalsContact CD-NH2 3.27Å; E60-R63 WeakPolarHBondContact O-CB 3.48Å; E60-R63 PolarHBondContact O-N 3.39Å; E60-R63 VanDerWaalsContact O-N 3.12Å; E60-R63 IonicContact OE1-CZ 3.37Å; E60-R63 IonicContact OE1-NE 2.8Å; E60-R63 IonicContact OE1-NH2 3.1Å; E60-R63 PolarHBondContact OE1-NH2 3.47Å; E60-R63 IonicContact OE2-CZ 2.98Å; E60-R63 IonicContact OE2-NE 2.65Å; E60-R63 PolarHBondContact OE2-NE 3.15Å; E60-R63 IonicContact OE2-NH2 3.51Å; E60-R63 PolarHBondContact OE2-NH2 3.41Å; E60-R63 VanDerWaalsContact OE2-NH2 3.1Å; S61-R63 VanDerWaalsContact C-N 3.34Å; S61-R63 PolarHBondContact O-N 2.9Å; R63-L66 PolarHBondContact O-N 2.92Å; R63-M67 WeakPolarHBondContact O-CB 3.37Å; R63-M67 PolarHBondContact O-N 2.96Å |
| 64 | Q | 98.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 99.6 Ų | 99.6 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 176.5 | -72.6 | 175.8 | 4.5 | 0 | 0 | 111.4 | E60 S61 R62 L66 M67 E68 | E60-Q64 WeakPolarHBondContact O-CG 3.31Å; E60-Q64 PolarHBondContact O-N 2.94Å; E60-Q64 PolarHBondContact OE1-NE2 3.04Å; S61-Q64 PolarHBondContact O-N 2.86Å; R62-Q64 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3Å; Q64-M67 WeakPolarHBondContact O-CB 3.37Å; Q64-M67 PolarHBondContact O-N 3.14Å; Q64-M67 VanDerWaalsContact O-N 3.1Å; Q64-E68 WeakPolarHBondContact O-CG 3.35Å; Q64-E68 PolarHBondContact O-N 3.05Å |
| 65 | T | 97.8 | Very high | 97.7 | Very high | 61 Ų | 61 | 99.8 Ų | 99.8 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 175.9 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | S61 R62 M67 E68 E69 | S61-T65 PolarHBondContact O-N 3.24Å; S61-T65 VanDerWaalsContact O-N 3.07Å; S61-T65 PolarHBondContact O-OG1 3.36Å; R62-T65 PolarHBondContact O-N 3.39Å; T65-M67 VanDerWaalsContact C-N 3.28Å; T65-M67 PolarHBondContact O-N 3Å; T65-E68 PolarHBondContact O-N 3.22Å; T65-E69 WeakPolarHBondContact O-CG 3.38Å; T65-E69 PolarHBondContact O-N 2.69Å |
| 66 | L | 97.5 | Very high | 97.6 | Very high | 93 Ų | 93 | 96.2 Ų | 96.2 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 177.1 | -69.3 | 172.7 | 0 | 0 | 0 | 112.6 | R62 R63 Q64 S70 | R62-L66 HydrophobicContact CG-CD1 4.34Å; R62-L66 WeakPolarHBondContact O-CG 3.31Å; R62-L66 PolarHBondContact O-N 3.46Å; R62-L66 VanDerWaalsContact O-N 3.08Å; R63-L66 PolarHBondContact O-N 2.92Å; Q64-L66 PolarHBondContact O-N 3Å; L66-S70 WeakPolarHBondContact O-CB 3.4Å; L66-S70 PolarHBondContact O-N 3.43Å |
| 67 | M | 98.3 | Very high | 97.5 | Very high | 96 Ų | 96 | 94.3 Ų | 94.3 | 47% | 0.473 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.3 | -44.2 | 176.5 | -172.6 | 178.3 | 77.7 | 0 | 0 | 111.2 | R63 Q64 T65 S70 I71 | R63-M67 WeakPolarHBondContact O-CB 3.37Å; R63-M67 PolarHBondContact O-N 2.96Å; Q64-M67 WeakPolarHBondContact O-CB 3.37Å; Q64-M67 PolarHBondContact O-N 3.14Å; Q64-M67 VanDerWaalsContact O-N 3.1Å; T65-M67 VanDerWaalsContact C-N 3.28Å; T65-M67 PolarHBondContact O-N 3Å; M67-S70 WeakPolarHBondContact O-CB 3.42Å; M67-S70 PolarHBondContact O-N 3.45Å; M67-I71 HydrophobicContact CG-CD1 4.04Å; M67-I71 VanDerWaalsContact O-CG1 3.28Å; M67-I71 WeakPolarHBondContact O-CG1 3.29Å; M67-I71 PolarHBondContact O-N 3.02Å |
| 68 | E | 97.7 | Very high | 97.5 | Very high | 111 Ų | 111 | 94.7 Ų | 94.7 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175.4 | -72.3 | 171.4 | 175.9 | 0 | 0 | 111.3 | Q64 T65 S70 I71 M72 | Q64-E68 WeakPolarHBondContact O-CG 3.35Å; Q64-E68 PolarHBondContact O-N 3.05Å; T65-E68 PolarHBondContact O-N 3.22Å; E68-S70 VanDerWaalsContact C-N 3.32Å; E68-S70 PolarHBondContact O-N 3.41Å; E68-I71 PolarHBondContact O-N 3.34Å; E68-M72 WeakPolarHBondContact O-CG 3.38Å; E68-M72 PolarHBondContact O-N 2.88Å |
| 69 | E | 97.4 | Very high | 97.5 | Very high | 99 Ų | 99 | 92.3 Ų | 92.3 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 174.2 | -73.5 | 173.9 | -177.1 | 0 | 0 | 111.6 | T65 M72 N73 | T65-E69 WeakPolarHBondContact O-CG 3.38Å; T65-E69 PolarHBondContact O-N 2.69Å; E69-M72 PolarHBondContact O-N 2.9Å; E69-N73 WeakPolarHBondContact O-CB 3.41Å; E69-N73 PolarHBondContact O-N 3.23Å; E69-N73 PolarHBondContact O-ND2 3Å; E69-N73 VanDerWaalsContact O-ND2 3.14Å |
| 70 | S | 98 | Very high | 97.4 | Very high | 74 Ų | 74 | 93.8 Ų | 93.8 | 52% | 0.517 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | L66 M67 E68 S74 | L66-S70 WeakPolarHBondContact O-CB 3.4Å; L66-S70 PolarHBondContact O-N 3.43Å; M67-S70 WeakPolarHBondContact O-CB 3.42Å; M67-S70 PolarHBondContact O-N 3.45Å; E68-S70 VanDerWaalsContact C-N 3.32Å; E68-S70 PolarHBondContact O-N 3.41Å; S70-S74 WeakPolarHBondContact O-CB 3.44Å; S70-S74 PolarHBondContact O-N 3.31Å; S70-S74 PolarHBondContact O-OG 3.34Å |
| 71 | I | 97.1 | Very high | 97.4 | Very high | 75 Ų | 75 | 96.3 Ų | 96.3 | 39% | 0.385 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.3 | -51.3 | 177.2 | -70.2 | 165 | 0 | 0 | 0 | 109.2 | M67 E68 N73 S74 E75 | M67-I71 HydrophobicContact CG-CD1 4.04Å; M67-I71 VanDerWaalsContact O-CG1 3.28Å; M67-I71 WeakPolarHBondContact O-CG1 3.29Å; M67-I71 PolarHBondContact O-N 3.02Å; E68-I71 PolarHBondContact O-N 3.34Å; I71-N73 VanDerWaalsContact C-N 3.34Å; I71-N73 PolarHBondContact O-N 3.05Å; I71-S74 PolarHBondContact O-N 3.37Å; I71-S74 PolarHBondContact O-OG 3.08Å; I71-E75 HydrophobicContact CG2-CG 4.26Å; I71-E75 WeakPolarHBondContact O-CG 3.29Å; I71-E75 PolarHBondContact O-N 3.31Å |
| 72 | M | 95.8 | Very high | 97.4 | Very high | 123 Ų | 123 | 100.9 Ų | 100.9 | 61% | 0.606 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.1 | -42.8 | 178.8 | -73.5 | 180 | 51.1 | 0 | 0 | 113.1 | E68 E69 S74 E75 S76 | E68-M72 WeakPolarHBondContact O-CG 3.38Å; E68-M72 PolarHBondContact O-N 2.88Å; E69-M72 PolarHBondContact O-N 2.9Å; M72-S74 VanDerWaalsContact C-N 3.33Å; M72-S74 PolarHBondContact O-N 2.96Å; M72-E75 PolarHBondContact O-N 3.5Å; M72-S76 WeakPolarHBondContact O-CB 3.44Å; M72-S76 PolarHBondContact O-N 2.92Å; M72-S76 PolarHBondContact O-OG 3.43Å |
| 73 | N | 96.3 | Very high | 97.4 | Very high | 110 Ų | 110 | 100.6 Ų | 100.6 | 59% | 0.588 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.5 | -37.6 | 176.3 | -72.6 | -25.9 | 0 | 0 | 0 | 111.8 | E69 I71 S76 S77 | E69-N73 WeakPolarHBondContact O-CB 3.41Å; E69-N73 PolarHBondContact O-N 3.23Å; E69-N73 PolarHBondContact O-ND2 3Å; E69-N73 VanDerWaalsContact O-ND2 3.14Å; I71-N73 VanDerWaalsContact C-N 3.34Å; I71-N73 PolarHBondContact O-N 3.05Å; N73-S76 WeakPolarHBondContact CA-OG 3.5Å; N73-S76 PolarHBondContact O-OG 2.8Å; N73-S77 WeakPolarHBondContact O-CB 3.43Å; N73-S77 PolarHBondContact O-N 3.46Å |
| 74 | S | 97.1 | Very high | 97.4 | Very high | 47 Ų | 47 | 98.2 Ų | 98.2 | 33% | 0.329 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.4 | -43.8 | 176.7 | 75.4 | 0 | 0 | 0 | 0 | 111.9 | S70 I71 M72 S77 F78 | S70-S74 WeakPolarHBondContact O-CB 3.44Å; S70-S74 PolarHBondContact O-N 3.31Å; S70-S74 PolarHBondContact O-OG 3.34Å; I71-S74 PolarHBondContact O-N 3.37Å; I71-S74 PolarHBondContact O-OG 3.08Å; M72-S74 VanDerWaalsContact C-N 3.33Å; M72-S74 PolarHBondContact O-N 2.96Å; S74-S77 PolarHBondContact O-N 2.94Å; S74-F78 WeakPolarHBondContact O-CD2 3.43Å; S74-F78 PolarHBondContact O-N 3.39Å |
| 75 | E | 97.4 | Very high | 97.4 | Very high | 113 Ų | 113 | 100.2 Ų | 100.2 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -50.5 | 178.9 | -74.5 | -179.2 | 163 | 0 | 0 | 110.8 | I71 M72 S77 F78 E79 | I71-E75 HydrophobicContact CG2-CG 4.26Å; I71-E75 WeakPolarHBondContact O-CG 3.29Å; I71-E75 PolarHBondContact O-N 3.31Å; M72-E75 PolarHBondContact O-N 3.5Å; E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.35Å; E75-F78 PolarHBondContact O-N 3.2Å; E75-E79 WeakPolarHBondContact O-CG 3.37Å; E75-E79 PolarHBondContact O-N 2.87Å |
| 76 | S | 96.5 | Very high | 97.4 | Very high | 63 Ų | 63 | 104.5 Ų | 104.5 | 44% | 0.441 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.5 | -43.7 | 176.2 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | M72 N73 F78 E79 E80 | M72-S76 WeakPolarHBondContact O-CB 3.44Å; M72-S76 PolarHBondContact O-N 2.92Å; M72-S76 PolarHBondContact O-OG 3.43Å; N73-S76 WeakPolarHBondContact CA-OG 3.5Å; N73-S76 PolarHBondContact O-OG 2.8Å; S76-F78 PolarHBondContact O-N 3.5Å; S76-E79 PolarHBondContact O-N 2.9Å; S76-E80 WeakPolarHBondContact O-CB 3.33Å; S76-E80 PolarHBondContact O-N 3.38Å |
| 77 | S | 96.5 | Very high | 97.4 | Very high | 45 Ų | 45 | 106.5 Ų | 106.5 | 32% | 0.315 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 174.6 | 175.9 | 0 | 0 | 0 | 0 | 113.5 | N73 S74 E75 R81 | N73-S77 WeakPolarHBondContact O-CB 3.43Å; N73-S77 PolarHBondContact O-N 3.46Å; S74-S77 PolarHBondContact O-N 2.94Å; E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.35Å; S77-R81 WeakPolarHBondContact O-CB 3.39Å; S77-R81 WeakPolarHBondContact O-CG 3.41Å; S77-R81 PolarHBondContact O-N 2.94Å; S77-R81 VanDerWaalsContact O-N 3.11Å; S77-R81 PolarHBondContact O-NE 3.39Å; S77-R81 VanDerWaalsContact O-NE 3.15Å; S77-R81 PolarHBondContact OG-NE 3.32Å; S77-R81 PolarHBondContact OG-NH2 2.95Å |
| 78 | F | 97.5 | Very high | 97.4 | Very high | 119 Ų | 119 | 105.7 Ų | 105.7 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.8 | -38.3 | 175.1 | -77.4 | -62.6 | 0 | 0 | 0 | 111.8 | S74 E75 S76 R81 R82 | S74-F78 WeakPolarHBondContact O-CD2 3.43Å; S74-F78 PolarHBondContact O-N 3.39Å; E75-F78 PolarHBondContact O-N 3.2Å; S76-F78 PolarHBondContact O-N 3.5Å; F78-R81 VanDerWaalsContact CD1-NH2 3.28Å; F78-R82 VanDerWaalsContact O-CB 3.27Å; F78-R82 WeakPolarHBondContact O-CB 3.44Å; F78-R82 PolarHBondContact O-N 3.49Å |
| 79 | E | 97.3 | Very high | 97.4 | Very high | 103 Ų | 103 | 104.4 Ų | 104.4 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 177.5 | -68.4 | -154.8 | 129.4 | 0 | 0 | 112.9 | E75 S76 R82 R83 | E75-E79 WeakPolarHBondContact O-CG 3.37Å; E75-E79 PolarHBondContact O-N 2.87Å; S76-E79 PolarHBondContact O-N 2.9Å; E79-R82 PolarHBondContact O-N 2.88Å; E79-R82 IonicContact OE1-NH2 3.99Å; E79-R82 PolarHBondContact OE1-NH2 3.21Å; E79-R83 PolarHBondContact O-N 2.73Å |
| 80 | E | 97.4 | Very high | 97.4 | Very high | 118 Ų | 118 | 102.8 Ų | 102.8 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -52.9 | 172.6 | -174.2 | 173.7 | -153.2 | 0 | 0 | 110.6 | S76 R82 R83 D84 | S76-E80 WeakPolarHBondContact O-CB 3.33Å; S76-E80 PolarHBondContact O-N 3.38Å; E80-R82 VanDerWaalsContact C-N 3.27Å; E80-R82 PolarHBondContact O-N 2.95Å; E80-R83 WeakPolarHBondContact O-CA 3.32Å; E80-R83 VanDerWaalsContact O-CB 3.3Å; E80-R83 WeakPolarHBondContact O-CB 3.37Å; E80-R83 PolarHBondContact O-N 3.41Å; E80-D84 PolarHBondContact O-N 3.4Å |
| 81 | R | 97.4 | Very high | 97.3 | Very high | 120 Ų | 120 | 101 Ų | 101 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.5 | -40.3 | 175.6 | -78.8 | -178 | -77.7 | 173.5 | -5.9 | 112.8 | S77 F78 R83 D84 M85 | S77-R81 WeakPolarHBondContact O-CB 3.39Å; S77-R81 WeakPolarHBondContact O-CG 3.41Å; S77-R81 PolarHBondContact O-N 2.94Å; S77-R81 VanDerWaalsContact O-N 3.11Å; S77-R81 PolarHBondContact O-NE 3.39Å; S77-R81 VanDerWaalsContact O-NE 3.15Å; S77-R81 PolarHBondContact OG-NE 3.32Å; S77-R81 PolarHBondContact OG-NH2 2.95Å; F78-R81 VanDerWaalsContact CD1-NH2 3.28Å; R81-R83 VanDerWaalsContact C-N 3.31Å; R81-R83 PolarHBondContact O-N 2.99Å; R81-D84 PolarHBondContact O-N 3.21Å; R81-M85 WeakPolarHBondContact O-CB 3.4Å; R81-M85 VanDerWaalsContact O-CG 3.27Å; R81-M85 WeakPolarHBondContact O-CG 3.35Å; R81-M85 PolarHBondContact O-N 2.9Å |
| 82 | R | 97.9 | Very high | 97.3 | Very high | 158 Ų | 158 | 102 Ų | 102 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 175.7 | -178.4 | -176.2 | 64.2 | -171.8 | -8.2 | 111.4 | F78 E79 E80 K86 | F78-R82 VanDerWaalsContact O-CB 3.27Å; F78-R82 WeakPolarHBondContact O-CB 3.44Å; F78-R82 PolarHBondContact O-N 3.49Å; E79-R82 PolarHBondContact O-N 2.88Å; E79-R82 IonicContact OE1-NH2 3.99Å; E79-R82 PolarHBondContact OE1-NH2 3.21Å; E80-R82 VanDerWaalsContact C-N 3.27Å; E80-R82 PolarHBondContact O-N 2.95Å; R82-K86 WeakPolarHBondContact O-CB 3.47Å; R82-K86 PolarHBondContact O-N 2.94Å; R82-K86 VanDerWaalsContact O-N 3.09Å |
| 83 | R | 98.2 | Very high | 97.3 | Very high | 170 Ų | 170 | 101.8 Ų | 101.8 | 64% | 0.642 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.4 | -48.7 | 176.7 | -170.9 | -174.7 | -60 | 167 | 3.7 | 110.8 | E79 E80 R81 M85 K86 E87 | E79-R83 PolarHBondContact O-N 2.73Å; E80-R83 WeakPolarHBondContact O-CA 3.32Å; E80-R83 VanDerWaalsContact O-CB 3.3Å; E80-R83 WeakPolarHBondContact O-CB 3.37Å; E80-R83 PolarHBondContact O-N 3.41Å; R81-R83 VanDerWaalsContact C-N 3.31Å; R81-R83 PolarHBondContact O-N 2.99Å; R83-M85 VanDerWaalsContact C-N 3.35Å; R83-M85 PolarHBondContact O-N 3.47Å; R83-K86 WeakPolarHBondContact O-CB 3.24Å; R83-K86 PolarHBondContact O-N 3.49Å; R83-K86 VanDerWaalsContact O-N 3.13Å; R83-E87 PolarHBondContact O-N 3.38Å |
| 84 | D | 98.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 100.8 Ų | 100.8 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | -179.8 | -64.2 | -11.9 | 0 | 0 | 0 | 112.1 | E80 R81 E87 T88 | E80-D84 PolarHBondContact O-N 3.4Å; R81-D84 PolarHBondContact O-N 3.21Å; D84-E87 PolarHBondContact O-N 3.4Å; D84-T88 WeakPolarHBondContact O-CB 3.33Å; D84-T88 PolarHBondContact O-N 3.49Å; D84-T88 PolarHBondContact O-OG1 2.85Å |
| 85 | M | 98.2 | Very high | 97.3 | Very high | 126 Ų | 126 | 107.3 Ų | 107.3 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | 174.8 | -75.3 | -179.9 | 70.9 | 0 | 0 | 111.2 | R81 R83 T88 I89 | R81-M85 WeakPolarHBondContact O-CB 3.4Å; R81-M85 VanDerWaalsContact O-CG 3.27Å; R81-M85 WeakPolarHBondContact O-CG 3.35Å; R81-M85 PolarHBondContact O-N 2.9Å; R83-M85 VanDerWaalsContact C-N 3.35Å; R83-M85 PolarHBondContact O-N 3.47Å; M85-T88 PolarHBondContact O-N 2.94Å; M85-I89 WeakPolarHBondContact O-CB 3.31Å; M85-I89 WeakPolarHBondContact O-CD1 3.41Å; M85-I89 VanDerWaalsContact O-CG1 3.22Å; M85-I89 WeakPolarHBondContact O-CG1 3.22Å; M85-I89 PolarHBondContact O-N 3Å |
| 86 | K | 98.3 | Very high | 97.2 | Very high | 150 Ų | 150 | 106.3 Ų | 106.3 | 65% | 0.652 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.8 | -45 | 178.2 | -174.7 | -178.1 | 177.7 | -175.9 | 0 | 111.2 | R82 R83 I89 V90 | R82-K86 WeakPolarHBondContact O-CB 3.47Å; R82-K86 PolarHBondContact O-N 2.94Å; R82-K86 VanDerWaalsContact O-N 3.09Å; R83-K86 WeakPolarHBondContact O-CB 3.24Å; R83-K86 PolarHBondContact O-N 3.49Å; R83-K86 VanDerWaalsContact O-N 3.13Å; K86-I89 PolarHBondContact O-N 2.89Å; K86-V90 WeakPolarHBondContact O-CG2 3.44Å; K86-V90 PolarHBondContact O-N 3.27Å |
| 87 | E | 97.5 | Very high | 97.3 | Very high | 135 Ų | 135 | 109 Ų | 109 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 177.8 | -173.4 | 172.1 | 177.4 | 0 | 0 | 111.8 | R83 D84 I89 V90 A91 | R83-E87 PolarHBondContact O-N 3.38Å; D84-E87 PolarHBondContact O-N 3.4Å; E87-I89 PolarHBondContact O-N 2.87Å; E87-V90 PolarHBondContact O-N 3.44Å; E87-A91 WeakPolarHBondContact O-CB 3.28Å; E87-A91 PolarHBondContact O-N 3.25Å |
| 88 | T | 97.9 | Very high | 97.3 | Very high | 79 Ų | 79 | 111.3 Ų | 111.3 | 49% | 0.485 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.4 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | D84 M85 A91 L92 | D84-T88 WeakPolarHBondContact O-CB 3.33Å; D84-T88 PolarHBondContact O-N 3.49Å; D84-T88 PolarHBondContact O-OG1 2.85Å; M85-T88 PolarHBondContact O-N 2.94Å; T88-A91 PolarHBondContact O-N 3.13Å; T88-L92 HydrophobicContact CG2-CD1 4.01Å; T88-L92 HydrophobicContact CG2-CG 4.41Å; T88-L92 WeakPolarHBondContact O-CB 3.3Å; T88-L92 VanDerWaalsContact O-CG 3.28Å; T88-L92 WeakPolarHBondContact O-CG 3.42Å; T88-L92 PolarHBondContact O-N 3.4Å |
| 89 | I | 97.2 | Very high | 97.2 | Very high | 85 Ų | 85 | 108 Ų | 108 | 44% | 0.436 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 177.7 | -72.1 | 165.1 | 0 | 0 | 0 | 110.6 | M85 K86 E87 L92 Q93 | M85-I89 WeakPolarHBondContact O-CB 3.31Å; M85-I89 WeakPolarHBondContact O-CD1 3.41Å; M85-I89 VanDerWaalsContact O-CG1 3.22Å; M85-I89 WeakPolarHBondContact O-CG1 3.22Å; M85-I89 PolarHBondContact O-N 3Å; K86-I89 PolarHBondContact O-N 2.89Å; E87-I89 PolarHBondContact O-N 2.87Å; I89-L92 PolarHBondContact O-N 3.45Å; I89-Q93 HydrophobicContact CG2-CG 4.35Å; I89-Q93 WeakPolarHBondContact O-CB 3.32Å; I89-Q93 VanDerWaalsContact O-CG 3.3Å; I89-Q93 WeakPolarHBondContact O-CG 3.43Å; I89-Q93 PolarHBondContact O-N 2.89Å |
| 90 | V | 97.2 | Very high | 97.3 | Very high | 64 Ų | 64 | 107.9 Ų | 107.9 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 178.3 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | K86 E87 L92 Q93 D94 | K86-V90 WeakPolarHBondContact O-CG2 3.44Å; K86-V90 PolarHBondContact O-N 3.27Å; E87-V90 PolarHBondContact O-N 3.44Å; V90-L92 VanDerWaalsContact C-N 3.31Å; V90-L92 PolarHBondContact O-N 3.32Å; V90-Q93 PolarHBondContact O-N 3.44Å; V90-Q93 VanDerWaalsContact O-N 3.17Å; V90-D94 PolarHBondContact O-N 2.95Å |
| 91 | A | 96.3 | Very high | 97.3 | Very high | 38 Ų | 38 | 107 Ų | 107 | 31% | 0.314 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E87 T88 R95 | E87-A91 WeakPolarHBondContact O-CB 3.28Å; E87-A91 PolarHBondContact O-N 3.25Å; T88-A91 PolarHBondContact O-N 3.13Å; A91-R95 WeakPolarHBondContact O-CB 3.44Å; A91-R95 WeakPolarHBondContact O-CG 3.42Å; A91-R95 PolarHBondContact O-N 2.94Å; A91-R95 VanDerWaalsContact O-N 3.13Å |
| 92 | L | 97.4 | Very high | 97.3 | Very high | 96 Ų | 96 | 104.9 Ų | 104.9 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70 | -40.1 | 175.5 | -73.8 | 173.6 | 0 | 0 | 0 | 112.1 | T88 I89 V90 T96 | T88-L92 HydrophobicContact CG2-CD1 4.01Å; T88-L92 HydrophobicContact CG2-CG 4.41Å; T88-L92 WeakPolarHBondContact O-CB 3.3Å; T88-L92 VanDerWaalsContact O-CG 3.28Å; T88-L92 WeakPolarHBondContact O-CG 3.42Å; T88-L92 PolarHBondContact O-N 3.4Å; I89-L92 PolarHBondContact O-N 3.45Å; V90-L92 VanDerWaalsContact C-N 3.31Å; V90-L92 PolarHBondContact O-N 3.32Å; L92-T96 VanDerWaalsContact O-CB 3.32Å; L92-T96 WeakPolarHBondContact O-CB 3.37Å; L92-T96 PolarHBondContact O-N 3.46Å; L92-T96 PolarHBondContact O-OG1 3.17Å |
| 93 | Q | 96.8 | Very high | 97.3 | Very high | 118 Ų | 118 | 102.1 Ų | 102.1 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -47.5 | 176.1 | -76.1 | 176.3 | -24.6 | 0 | 0 | 111 | I89 V90 R95 T96 Q97 | I89-Q93 HydrophobicContact CG2-CG 4.35Å; I89-Q93 WeakPolarHBondContact O-CB 3.32Å; I89-Q93 VanDerWaalsContact O-CG 3.3Å; I89-Q93 WeakPolarHBondContact O-CG 3.43Å; I89-Q93 PolarHBondContact O-N 2.89Å; V90-Q93 PolarHBondContact O-N 3.44Å; V90-Q93 VanDerWaalsContact O-N 3.17Å; Q93-R95 PolarHBondContact O-N 2.94Å; Q93-T96 PolarHBondContact O-N 3.34Å; Q93-Q97 VanDerWaalsContact O-CB 3.31Å; Q93-Q97 WeakPolarHBondContact O-CB 3.37Å; Q93-Q97 PolarHBondContact O-N 2.82Å |
| 94 | D | 96.5 | Very high | 97.3 | Very high | 89 Ų | 89 | 98.4 Ų | 98.4 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 178.3 | -71.5 | -17.9 | 0 | 0 | 0 | 111.5 | V90 T96 Q97 V98 | V90-D94 PolarHBondContact O-N 2.95Å; D94-T96 VanDerWaalsContact C-N 3.35Å; D94-T96 PolarHBondContact O-N 2.71Å; D94-Q97 PolarHBondContact O-N 3.42Å; D94-V98 WeakPolarHBondContact O-CG2 3.45Å; D94-V98 PolarHBondContact O-N 3.29Å |
| 95 | R | 95.9 | Very high | 97.3 | Very high | 183 Ų | 183 | 103.2 Ų | 103.2 | 69% | 0.691 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.7 | -44.3 | 177.1 | -74.3 | 173.7 | -175.4 | -176.9 | 3.6 | 112 | A91 Q93 V98 A99 | A91-R95 WeakPolarHBondContact O-CB 3.44Å; A91-R95 WeakPolarHBondContact O-CG 3.42Å; A91-R95 PolarHBondContact O-N 2.94Å; A91-R95 VanDerWaalsContact O-N 3.13Å; Q93-R95 PolarHBondContact O-N 2.94Å; R95-V98 PolarHBondContact O-N 3.32Å; R95-A99 WeakPolarHBondContact O-CB 3.28Å; R95-A99 PolarHBondContact O-N 3.05Å |
| 96 | T | 96.4 | Very high | 97.3 | Very high | 93 Ų | 93 | 101.4 Ų | 101.4 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 179.7 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | L92 Q93 D94 A99 L100 | L92-T96 VanDerWaalsContact O-CB 3.32Å; L92-T96 WeakPolarHBondContact O-CB 3.37Å; L92-T96 PolarHBondContact O-N 3.46Å; L92-T96 PolarHBondContact O-OG1 3.17Å; Q93-T96 PolarHBondContact O-N 3.34Å; D94-T96 VanDerWaalsContact C-N 3.35Å; D94-T96 PolarHBondContact O-N 2.71Å; T96-A99 PolarHBondContact O-N 3.37Å; T96-L100 VanDerWaalsContact O-CB 3.28Å; T96-L100 WeakPolarHBondContact O-CB 3.3Å; T96-L100 PolarHBondContact O-N 2.82Å |
| 97 | Q | 97.4 | Very high | 97.3 | Very high | 118 Ų | 118 | 99.6 Ų | 99.6 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -45.6 | 177.2 | -177.8 | 174.2 | -14.1 | 0 | 0 | 111.5 | Q93 D94 L100 L101 | Q93-Q97 VanDerWaalsContact O-CB 3.31Å; Q93-Q97 WeakPolarHBondContact O-CB 3.37Å; Q93-Q97 PolarHBondContact O-N 2.82Å; D94-Q97 PolarHBondContact O-N 3.42Å; Q97-L100 PolarHBondContact O-N 2.89Å; Q97-L101 HydrophobicContact CG-CD1 3.91Å; Q97-L101 HydrophobicContact CG-CG 4.38Å; Q97-L101 WeakPolarHBondContact O-CB 3.22Å; Q97-L101 VanDerWaalsContact O-CG 3.24Å; Q97-L101 WeakPolarHBondContact O-CG 3.3Å; Q97-L101 PolarHBondContact O-N 3.37Å |
| 98 | V | 96.5 | Very high | 97.3 | Very high | 94 Ų | 94 | 97.5 Ų | 97.5 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -45.5 | 176.2 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | D94 R95 L101 T102 | D94-V98 WeakPolarHBondContact O-CG2 3.45Å; D94-V98 PolarHBondContact O-N 3.29Å; R95-V98 PolarHBondContact O-N 3.32Å; V98-L101 PolarHBondContact O-N 2.92Å; V98-T102 WeakPolarHBondContact O-CB 3.47Å; V98-T102 PolarHBondContact O-N 3.43Å; V98-T102 PolarHBondContact O-OG1 2.95Å |
| 99 | A | 96.3 | Very high | 97.3 | Very high | 49 Ų | 49 | 98.4 Ų | 98.4 | 41% | 0.405 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | R95 T96 T102 N103 | R95-A99 WeakPolarHBondContact O-CB 3.28Å; R95-A99 PolarHBondContact O-N 3.05Å; T96-A99 PolarHBondContact O-N 3.37Å; A99-T102 PolarHBondContact O-N 2.96Å; A99-N103 WeakPolarHBondContact O-CB 3.41Å; A99-N103 PolarHBondContact O-N 2.89Å; A99-N103 PolarHBondContact O-ND2 3.4Å |
| 100 | L | 97.7 | Very high | 97.4 | Very high | 102 Ų | 102 | 102.6 Ų | 102.6 | 53% | 0.534 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 178.7 | -177.2 | 64 | 0 | 0 | 0 | 111.7 | T96 Q97 T102 N103 L104 | T96-L100 VanDerWaalsContact O-CB 3.28Å; T96-L100 WeakPolarHBondContact O-CB 3.3Å; T96-L100 PolarHBondContact O-N 2.82Å; Q97-L100 PolarHBondContact O-N 2.89Å; L100-T102 VanDerWaalsContact C-N 3.29Å; L100-T102 PolarHBondContact O-N 3.42Å; L100-N103 PolarHBondContact O-N 2.92Å; L100-L104 HydrophobicContact CD1-CD1 4.45Å; L100-L104 HydrophobicContact CD1-CG 4.42Å; L100-L104 HydrophobicContact CG-CD1 4.09Å; L100-L104 HydrophobicContact CG-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 2.94Å |
| 101 | L | 97.6 | Very high | 97.4 | Very high | 100 Ų | 100 | 107.3 Ų | 107.3 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 177.8 | -72.3 | 173.6 | 0 | 0 | 0 | 111.8 | Q97 V98 L104 R105 | Q97-L101 HydrophobicContact CG-CD1 3.91Å; Q97-L101 HydrophobicContact CG-CG 4.38Å; Q97-L101 WeakPolarHBondContact O-CB 3.22Å; Q97-L101 VanDerWaalsContact O-CG 3.24Å; Q97-L101 WeakPolarHBondContact O-CG 3.3Å; Q97-L101 PolarHBondContact O-N 3.37Å; V98-L101 PolarHBondContact O-N 2.92Å; L101-L104 PolarHBondContact O-N 3.13Å; L101-R105 WeakPolarHBondContact O-CB 3.41Å; L101-R105 PolarHBondContact O-N 3.09Å |
| 102 | T | 98 | Very high | 97.5 | Very high | 75 Ų | 75 | 108.7 Ų | 108.7 | 46% | 0.46 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 175.8 | -57.4 | 0 | 0 | 0 | 0 | 111 | V98 A99 L100 L104 R105 V106 | V98-T102 WeakPolarHBondContact O-CB 3.47Å; V98-T102 PolarHBondContact O-N 3.43Å; V98-T102 PolarHBondContact O-OG1 2.95Å; A99-T102 PolarHBondContact O-N 2.96Å; L100-T102 VanDerWaalsContact C-N 3.29Å; L100-T102 PolarHBondContact O-N 3.42Å; T102-L104 PolarHBondContact O-N 3.23Å; T102-R105 WeakPolarHBondContact O-CB 3.34Å; T102-R105 PolarHBondContact O-N 3.02Å; T102-V106 WeakPolarHBondContact O-CG2 3.48Å; T102-V106 PolarHBondContact O-N 2.98Å |
| 103 | N | 98 | Very high | 97.5 | Very high | 100 Ų | 100 | 108.6 Ų | 108.6 | 54% | 0.535 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 177.2 | -74.3 | -20.2 | 0 | 0 | 0 | 112.1 | A99 L100 R105 V106 L107 | A99-N103 WeakPolarHBondContact O-CB 3.41Å; A99-N103 PolarHBondContact O-N 2.89Å; A99-N103 PolarHBondContact O-ND2 3.4Å; L100-N103 PolarHBondContact O-N 2.92Å; N103-R105 VanDerWaalsContact C-N 3.29Å; N103-R105 PolarHBondContact O-N 3.46Å; N103-V106 PolarHBondContact O-N 2.97Å; N103-L107 WeakPolarHBondContact O-CG 3.46Å; N103-L107 PolarHBondContact O-N 3.11Å |
| 104 | L | 98 | Very high | 97.5 | Very high | 92 Ų | 92 | 107.5 Ų | 107.5 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 175.2 | -74.2 | 173.2 | 0 | 0 | 0 | 111.5 | L100 L101 T102 L107 N108 | L100-L104 HydrophobicContact CD1-CD1 4.45Å; L100-L104 HydrophobicContact CD1-CG 4.42Å; L100-L104 HydrophobicContact CG-CD1 4.09Å; L100-L104 HydrophobicContact CG-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 2.94Å; L101-L104 PolarHBondContact O-N 3.13Å; T102-L104 PolarHBondContact O-N 3.23Å; L104-L107 PolarHBondContact O-N 2.96Å; L104-N108 VanDerWaalsContact O-CB 3.32Å; L104-N108 WeakPolarHBondContact O-CB 3.27Å; L104-N108 PolarHBondContact O-N 3.47Å |
| 105 | R | 97.9 | Very high | 97.6 | Very high | 181 Ų | 181 | 106.7 Ų | 106.7 | 68% | 0.683 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 175 | -173.9 | 178.8 | -176.4 | 173.1 | 0.5 | 112 | L101 T102 N103 N108 N109 | L101-R105 WeakPolarHBondContact O-CB 3.41Å; L101-R105 PolarHBondContact O-N 3.09Å; T102-R105 WeakPolarHBondContact O-CB 3.34Å; T102-R105 PolarHBondContact O-N 3.02Å; N103-R105 VanDerWaalsContact C-N 3.29Å; N103-R105 PolarHBondContact O-N 3.46Å; R105-N108 PolarHBondContact O-N 3.47Å; R105-N109 WeakPolarHBondContact O-CB 3.44Å; R105-N109 VanDerWaalsContact O-CG 3.25Å; R105-N109 PolarHBondContact O-N 2.88Å; R105-N109 PolarHBondContact O-OD1 3.47Å |
| 106 | V | 98 | Very high | 97.7 | Very high | 88 Ų | 88 | 102.1 Ų | 102.1 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 111 | T102 N103 N108 N109 R110 | T102-V106 WeakPolarHBondContact O-CG2 3.48Å; T102-V106 PolarHBondContact O-N 2.98Å; N103-V106 PolarHBondContact O-N 2.97Å; V106-N108 PolarHBondContact O-N 2.9Å; V106-N109 PolarHBondContact O-N 3.22Å; V106-R110 WeakPolarHBondContact O-CB 3.44Å; V106-R110 PolarHBondContact O-N 3.15Å |
| 107 | L | 98 | Very high | 97.8 | Very high | 112 Ų | 112 | 103 Ų | 103 | 59% | 0.586 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 177 | -71.6 | 174.5 | 0 | 0 | 0 | 111.8 | N103 L104 R110 R111 | N103-L107 WeakPolarHBondContact O-CG 3.46Å; N103-L107 PolarHBondContact O-N 3.11Å; L104-L107 PolarHBondContact O-N 2.96Å; L107-R110 PolarHBondContact O-N 3.31Å; L107-R111 WeakPolarHBondContact O-CB 3.27Å; L107-R111 PolarHBondContact O-N 2.89Å |
| 108 | N | 98.2 | Very high | 97.8 | Very high | 92 Ų | 92 | 102.1 Ų | 102.1 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 177.5 | -166.3 | 38.9 | 0 | 0 | 0 | 111.4 | L104 R105 V106 R110 R111 T112 | L104-N108 VanDerWaalsContact O-CB 3.32Å; L104-N108 WeakPolarHBondContact O-CB 3.27Å; L104-N108 PolarHBondContact O-N 3.47Å; R105-N108 PolarHBondContact O-N 3.47Å; V106-N108 PolarHBondContact O-N 2.9Å; N108-R110 VanDerWaalsContact C-N 3.32Å; N108-R110 PolarHBondContact O-N 3.33Å; N108-R111 WeakPolarHBondContact O-CB 3.39Å; N108-R111 PolarHBondContact O-N 3.06Å; N108-T112 PolarHBondContact O-N 3.19Å; N108-T112 PolarHBondContact O-OG1 3.01Å; N108-T112 VanDerWaalsContact O-OG1 3.08Å |
| 109 | N | 98 | Very high | 97.8 | Very high | 97 Ų | 97 | 103.9 Ų | 103.9 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 175.7 | -70.4 | -7.4 | 0 | 0 | 0 | 112 | R105 V106 T112 L113 | R105-N109 WeakPolarHBondContact O-CB 3.44Å; R105-N109 VanDerWaalsContact O-CG 3.25Å; R105-N109 PolarHBondContact O-N 2.88Å; R105-N109 PolarHBondContact O-OD1 3.47Å; V106-N109 PolarHBondContact O-N 3.22Å; N109-T112 PolarHBondContact O-N 3.3Å; N109-L113 PolarHBondContact O-N 2.84Å |
| 110 | R | 98.2 | Very high | 97.8 | Very high | 173 Ų | 173 | 107.8 Ų | 107.8 | 65% | 0.653 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | 177.3 | -174.1 | 172.8 | -178.9 | 171.5 | -0.1 | 111.6 | V106 L107 N108 L113 L114 | V106-R110 WeakPolarHBondContact O-CB 3.44Å; V106-R110 PolarHBondContact O-N 3.15Å; L107-R110 PolarHBondContact O-N 3.31Å; N108-R110 VanDerWaalsContact C-N 3.32Å; N108-R110 PolarHBondContact O-N 3.33Å; R110-L113 PolarHBondContact O-N 3.14Å; R110-L114 WeakPolarHBondContact O-CG 3.4Å; R110-L114 PolarHBondContact O-N 3.5Å |
| 111 | R | 98.1 | Very high | 97.7 | Very high | 164 Ų | 164 | 108.4 Ų | 108.4 | 62% | 0.619 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.1 | -50.6 | 172.7 | 179.9 | -173.3 | 173.1 | 178.4 | 2 | 110.6 | L107 N108 L113 L114 D115 | L107-R111 WeakPolarHBondContact O-CB 3.27Å; L107-R111 PolarHBondContact O-N 2.89Å; N108-R111 WeakPolarHBondContact O-CB 3.39Å; N108-R111 PolarHBondContact O-N 3.06Å; R111-L113 VanDerWaalsContact C-N 3.29Å; R111-L113 PolarHBondContact O-N 3.47Å; R111-L114 WeakPolarHBondContact O-CB 3.33Å; R111-L114 PolarHBondContact O-N 3.05Å; R111-D115 IonicContact NE-OD2 2.94Å; R111-D115 PolarHBondContact O-N 3.46Å |
| 112 | T | 97.8 | Very high | 97.7 | Very high | 67 Ų | 67 | 106.5 Ų | 106.5 | 41% | 0.411 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.3 | -41.4 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | N108 N109 L114 D115 L116 | N108-T112 PolarHBondContact O-N 3.19Å; N108-T112 PolarHBondContact O-OG1 3.01Å; N108-T112 VanDerWaalsContact O-OG1 3.08Å; N109-T112 PolarHBondContact O-N 3.3Å; T112-L114 PolarHBondContact O-N 3.35Å; T112-D115 PolarHBondContact O-N 2.9Å; T112-L116 WeakPolarHBondContact O-CG 3.43Å; T112-L116 PolarHBondContact O-N 2.71Å |
| 113 | L | 97.9 | Very high | 97.6 | Very high | 94 Ų | 94 | 104.2 Ų | 104.2 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 175.7 | -179.5 | 63.6 | 0 | 0 | 0 | 112.4 | N109 R110 R111 L116 K117 | N109-L113 PolarHBondContact O-N 2.84Å; R110-L113 PolarHBondContact O-N 3.14Å; R111-L113 VanDerWaalsContact C-N 3.29Å; R111-L113 PolarHBondContact O-N 3.47Å; L113-L116 PolarHBondContact O-N 2.94Å; L113-K117 WeakPolarHBondContact O-CG 2.99Å; L113-K117 PolarHBondContact O-N 3.01Å |
| 114 | L | 98 | Very high | 97.6 | Very high | 94 Ų | 94 | 104 Ų | 104 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 174.8 | -71.6 | 171.8 | 0 | 0 | 0 | 111.2 | R110 R111 T112 L116 K117 I118 | R110-L114 WeakPolarHBondContact O-CG 3.4Å; R110-L114 PolarHBondContact O-N 3.5Å; R111-L114 WeakPolarHBondContact O-CB 3.33Å; R111-L114 PolarHBondContact O-N 3.05Å; T112-L114 PolarHBondContact O-N 3.35Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.4Å; L114-K117 PolarHBondContact O-N 3.21Å; L114-I118 VanDerWaalsContact O-CG1 3.29Å; L114-I118 WeakPolarHBondContact O-CG1 3.5Å; L114-I118 PolarHBondContact O-N 2.87Å |
| 115 | D | 98.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 102.4 Ų | 102.4 | 39% | 0.39 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 176.4 | -66.8 | -28.1 | 0 | 0 | 0 | 111 | R111 T112 I118 Q119 | R111-D115 IonicContact NE-OD2 2.94Å; R111-D115 PolarHBondContact O-N 3.46Å; T112-D115 PolarHBondContact O-N 2.9Å; D115-I118 PolarHBondContact O-N 2.85Å; D115-Q119 WeakPolarHBondContact O-CG 3.38Å; D115-Q119 PolarHBondContact O-N 3.01Å |
| 116 | L | 97.8 | Very high | 97.4 | Very high | 87 Ų | 87 | 100.5 Ų | 100.5 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 174.9 | -70 | 172.2 | 0 | 0 | 0 | 112.3 | T112 L113 L114 I118 Q119 E120 | T112-L116 WeakPolarHBondContact O-CG 3.43Å; T112-L116 PolarHBondContact O-N 2.71Å; L113-L116 PolarHBondContact O-N 2.94Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.4Å; L116-I118 VanDerWaalsContact C-N 3.31Å; L116-I118 PolarHBondContact O-N 2.93Å; L116-Q119 WeakPolarHBondContact O-CB 3.38Å; L116-Q119 PolarHBondContact O-N 3.37Å; L116-Q119 VanDerWaalsContact O-N 3.14Å; L116-E120 PolarHBondContact O-N 3.16Å |
| 117 | K | 97.6 | Very high | 97.3 | Very high | 111 Ų | 111 | 103.2 Ų | 103.2 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 176.9 | -75.2 | -175.3 | 175.5 | -169.5 | 0 | 112.5 | L113 L114 Q119 E120 L121 | L113-K117 WeakPolarHBondContact O-CG 2.99Å; L113-K117 PolarHBondContact O-N 3.01Å; L114-K117 PolarHBondContact O-N 3.21Å; K117-Q119 VanDerWaalsContact C-N 3.31Å; K117-E120 PolarHBondContact O-N 3.41Å; K117-L121 WeakPolarHBondContact O-CB 3.38Å; K117-L121 VanDerWaalsContact O-CG 3.31Å; K117-L121 WeakPolarHBondContact O-CG 3.34Å; K117-L121 PolarHBondContact O-N 3.3Å |
| 118 | I | 97.3 | Very high | 97.2 | Very high | 99 Ų | 99 | 103.4 Ų | 103.4 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 174.8 | -70.8 | 166 | 0 | 0 | 0 | 110.1 | L114 D115 L116 S122 | L114-I118 VanDerWaalsContact O-CG1 3.29Å; L114-I118 WeakPolarHBondContact O-CG1 3.5Å; L114-I118 PolarHBondContact O-N 2.87Å; D115-I118 PolarHBondContact O-N 2.85Å; L116-I118 VanDerWaalsContact C-N 3.31Å; L116-I118 PolarHBondContact O-N 2.93Å; I118-S122 VanDerWaalsContact O-CB 3.29Å; I118-S122 WeakPolarHBondContact O-CB 3.39Å; I118-S122 PolarHBondContact O-N 3.08Å; I118-S122 PolarHBondContact O-OG 3.1Å |
| 119 | Q | 97 | Very high | 97.1 | Very high | 132 Ų | 132 | 101.8 Ų | 101.8 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 175.1 | -70.8 | 176.3 | -8.7 | 0 | 0 | 112 | D115 L116 K117 S122 G123 | D115-Q119 WeakPolarHBondContact O-CG 3.38Å; D115-Q119 PolarHBondContact O-N 3.01Å; L116-Q119 WeakPolarHBondContact O-CB 3.38Å; L116-Q119 PolarHBondContact O-N 3.37Å; L116-Q119 VanDerWaalsContact O-N 3.14Å; K117-Q119 VanDerWaalsContact C-N 3.31Å; Q119-S122 WeakPolarHBondContact O-CB 3.28Å; Q119-S122 PolarHBondContact O-N 2.88Å; Q119-G123 PolarHBondContact O-N 3.25Å |
| 120 | E | 96.2 | Very high | 97 | Very high | 131 Ų | 131 | 103.6 Ų | 103.6 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -48.5 | 176 | -71.9 | 176.6 | 175.5 | 0 | 0 | 112.2 | L116 K117 S122 G123 L124 | L116-E120 PolarHBondContact O-N 3.16Å; K117-E120 PolarHBondContact O-N 3.41Å; E120-S122 VanDerWaalsContact C-N 3.29Å; E120-S122 PolarHBondContact O-N 3.42Å; E120-G123 PolarHBondContact O-N 3.07Å; E120-G123 VanDerWaalsContact O-N 3.16Å; E120-L124 WeakPolarHBondContact O-CG 3.42Å; E120-L124 PolarHBondContact O-N 3.39Å |
| 121 | L | 96.4 | Very high | 96.8 | Very high | 114 Ų | 114 | 99.4 Ų | 99.4 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | -37.9 | 177 | -72.8 | 173.2 | 0 | 0 | 0 | 111.7 | K117 L124 A125 | K117-L121 WeakPolarHBondContact O-CB 3.38Å; K117-L121 VanDerWaalsContact O-CG 3.31Å; K117-L121 WeakPolarHBondContact O-CG 3.34Å; K117-L121 PolarHBondContact O-N 3.3Å; L121-L124 PolarHBondContact O-N 3.46Å; L121-A125 WeakPolarHBondContact O-CB 3.39Å; L121-A125 PolarHBondContact O-N 3.06Å |
| 122 | S | 97.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 94.5 Ų | 94.5 | 42% | 0.42 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.9 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | I118 Q119 E120 A125 Q126 | I118-S122 VanDerWaalsContact O-CB 3.29Å; I118-S122 WeakPolarHBondContact O-CB 3.39Å; I118-S122 PolarHBondContact O-N 3.08Å; I118-S122 PolarHBondContact O-OG 3.1Å; Q119-S122 WeakPolarHBondContact O-CB 3.28Å; Q119-S122 PolarHBondContact O-N 2.88Å; E120-S122 VanDerWaalsContact C-N 3.29Å; E120-S122 PolarHBondContact O-N 3.42Å; S122-A125 PolarHBondContact O-N 3.45Å; S122-Q126 WeakPolarHBondContact O-CG 3.44Å; S122-Q126 PolarHBondContact O-N 3.3Å |
| 123 | G | 96 | Very high | 96.4 | Very high | 27 Ų | 27 | 98.1 Ų | 98.1 | 28% | 0.278 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q119 E120 Q126 K127 | Q119-G123 PolarHBondContact O-N 3.25Å; E120-G123 PolarHBondContact O-N 3.07Å; E120-G123 VanDerWaalsContact O-N 3.16Å; G123-Q126 PolarHBondContact O-N 3Å; G123-K127 WeakPolarHBondContact O-CG 3.42Å; G123-K127 PolarHBondContact O-N 3.01Å; G123-K127 VanDerWaalsContact O-N 3.12Å |
| 124 | L | 96.9 | Very high | 96.2 | Very high | 96 Ų | 96 | 97.6 Ų | 97.6 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 174.3 | -71.3 | 173.6 | 0 | 0 | 0 | 112 | E120 L121 Q126 K127 L128 | E120-L124 WeakPolarHBondContact O-CG 3.42Å; E120-L124 PolarHBondContact O-N 3.39Å; L121-L124 PolarHBondContact O-N 3.46Å; L124-Q126 VanDerWaalsContact C-N 3.31Å; L124-Q126 PolarHBondContact O-N 2.89Å; L124-K127 PolarHBondContact O-N 3.47Å; L124-L128 PolarHBondContact O-N 3.48Å |
| 125 | A | 95.6 | Very high | 95.9 | Very high | 58 Ų | 58 | 97.1 Ų | 97.1 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L121 S122 L128 S129 | L121-A125 WeakPolarHBondContact O-CB 3.39Å; L121-A125 PolarHBondContact O-N 3.06Å; S122-A125 PolarHBondContact O-N 3.45Å; A125-L128 PolarHBondContact O-N 2.88Å; A125-S129 WeakPolarHBondContact O-CB 3.4Å; A125-S129 PolarHBondContact O-N 3.41Å |
| 126 | Q | 96.6 | Very high | 95.6 | Very high | 142 Ų | 142 | 97.9 Ų | 97.9 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 174.2 | -73.5 | 175.9 | -2.7 | 0 | 0 | 112.5 | S122 G123 L124 S129 K130 | S122-Q126 WeakPolarHBondContact O-CG 3.44Å; S122-Q126 PolarHBondContact O-N 3.3Å; G123-Q126 PolarHBondContact O-N 3Å; L124-Q126 VanDerWaalsContact C-N 3.31Å; L124-Q126 PolarHBondContact O-N 2.89Å; Q126-S129 WeakPolarHBondContact O-CB 3.38Å; Q126-S129 PolarHBondContact O-N 3Å; Q126-K130 PolarHBondContact O-N 3.12Å |
| 127 | K | 96 | Very high | 95.2 | Very high | 144 Ų | 144 | 98.8 Ų | 98.8 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 175.7 | -71.8 | 176.6 | -177.6 | 179.3 | 0 | 112 | G123 L124 S129 K130 I131 | G123-K127 WeakPolarHBondContact O-CG 3.42Å; G123-K127 PolarHBondContact O-N 3.01Å; G123-K127 VanDerWaalsContact O-N 3.12Å; L124-K127 PolarHBondContact O-N 3.47Å; K127-S129 VanDerWaalsContact C-N 3.32Å; K127-S129 PolarHBondContact O-N 3.45Å; K127-K130 WeakPolarHBondContact O-CB 3.49Å; K127-K130 PolarHBondContact O-N 3.21Å; K127-I131 WeakPolarHBondContact O-CG1 3.49Å; K127-I131 PolarHBondContact O-N 2.86Å |
| 128 | L | 95.5 | Very high | 94.7 | Very high | 116 Ų | 116 | 97.8 Ų | 97.8 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.7 | -40.8 | 175.8 | -75.5 | 171 | 0 | 0 | 0 | 111.7 | L124 A125 K130 I131 S132 | L124-L128 PolarHBondContact O-N 3.48Å; A125-L128 PolarHBondContact O-N 2.88Å; L128-K130 VanDerWaalsContact C-N 3.31Å; L128-K130 PolarHBondContact O-N 3.1Å; L128-I131 PolarHBondContact O-N 2.94Å; L128-S132 WeakPolarHBondContact O-CB 3.26Å; L128-S132 PolarHBondContact O-N 3.35Å |
| 129 | S | 96.1 | Very high | 94.1 | Very high | 58 Ų | 58 | 102 Ų | 102 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | A125 Q126 K127 S132 K133 | A125-S129 WeakPolarHBondContact O-CB 3.4Å; A125-S129 PolarHBondContact O-N 3.41Å; Q126-S129 WeakPolarHBondContact O-CB 3.38Å; Q126-S129 PolarHBondContact O-N 3Å; K127-S129 VanDerWaalsContact C-N 3.32Å; K127-S129 PolarHBondContact O-N 3.45Å; S129-S132 PolarHBondContact O-N 3.25Å; S129-K133 WeakPolarHBondContact O-CG 3.27Å; S129-K133 PolarHBondContact O-N 2.65Å |
| 130 | K | 95.9 | Very high | 93.4 | Very high | 135 Ų | 135 | 100.8 Ų | 100.8 | 59% | 0.587 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.3 | -49.4 | 175.4 | -166.7 | -173.3 | -179.2 | -158 | 0 | 111.9 | Q126 K127 L128 S132 K133 E134 | Q126-K130 PolarHBondContact O-N 3.12Å; K127-K130 WeakPolarHBondContact O-CB 3.49Å; K127-K130 PolarHBondContact O-N 3.21Å; L128-K130 VanDerWaalsContact C-N 3.31Å; L128-K130 PolarHBondContact O-N 3.1Å; K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.13Å; K130-K133 PolarHBondContact O-N 2.8Å; K130-E134 WeakPolarHBondContact CE-OE1 3.35Å; K130-E134 IonicContact NZ-OE1 3.64Å; K130-E134 WeakPolarHBondContact O-CG 3.48Å; K130-E134 PolarHBondContact O-N 2.88Å |
| 131 | I | 94.2 | Very high | 92.7 | Very high | 85 Ų | 85 | 99.5 Ų | 99.5 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 176.6 | -66.4 | 167.3 | 0 | 0 | 0 | 110.9 | K127 L128 K133 E134 N135 | K127-I131 WeakPolarHBondContact O-CG1 3.49Å; K127-I131 PolarHBondContact O-N 2.86Å; L128-I131 PolarHBondContact O-N 2.94Å; I131-K133 PolarHBondContact O-N 3.33Å; I131-E134 PolarHBondContact O-N 2.92Å; I131-N135 WeakPolarHBondContact O-CB 3.34Å; I131-N135 PolarHBondContact O-N 2.94Å; I131-N135 PolarHBondContact O-ND2 3.26Å |
| 132 | S | 93.9 | Very high | 91.8 | Very high | 62 Ų | 62 | 97.7 Ų | 97.7 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 176.9 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | L128 S129 K130 N135 I136 | L128-S132 WeakPolarHBondContact O-CB 3.26Å; L128-S132 PolarHBondContact O-N 3.35Å; S129-S132 PolarHBondContact O-N 3.25Å; K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.13Å; S132-N135 PolarHBondContact O-N 3.46Å; S132-I136 VanDerWaalsContact O-CG1 3.29Å; S132-I136 WeakPolarHBondContact O-CG1 3.3Å; S132-I136 PolarHBondContact O-N 3.04Å |
| 133 | K | 94.3 | Very high | 90.8 | Very high | 142 Ų | 142 | 103.2 Ų | 103.2 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -45.6 | 175.8 | -71.4 | 178.1 | -178.3 | -176.2 | 0 | 112.3 | S129 K130 I131 N135 I136 Q137 | S129-K133 WeakPolarHBondContact O-CG 3.27Å; S129-K133 PolarHBondContact O-N 2.65Å; K130-K133 PolarHBondContact O-N 2.8Å; I131-K133 PolarHBondContact O-N 3.33Å; K133-N135 VanDerWaalsContact C-N 3.33Å; K133-N135 PolarHBondContact O-N 2.92Å; K133-I136 PolarHBondContact O-N 3.23Å; K133-Q137 PolarHBondContact O-N 2.92Å |
| 134 | E | 93.7 | Very high | 89.8 | Confident | 84 Ų | 84 | 109.4 Ų | 109.4 | 39% | 0.393 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 175.7 | -71.3 | 168.8 | -175.1 | 0 | 0 | 110.9 | K130 I131 I136 Q137 I138 | K130-E134 WeakPolarHBondContact CE-OE1 3.35Å; K130-E134 IonicContact NZ-OE1 3.64Å; K130-E134 WeakPolarHBondContact O-CG 3.48Å; K130-E134 PolarHBondContact O-N 2.88Å; I131-E134 PolarHBondContact O-N 2.92Å; E134-I136 PolarHBondContact O-N 3.19Å; E134-Q137 PolarHBondContact O-N 3.45Å; E134-I138 WeakPolarHBondContact O-CG1 3.26Å; E134-I138 PolarHBondContact O-N 3.05Å |
| 135 | N | 91.2 | Very high | 88.3 | Confident | 83 Ų | 83 | 107.3 Ų | 107.3 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -37 | 175.9 | -80.2 | -31.1 | 0 | 0 | 0 | 113.3 | I131 S132 K133 R139 | I131-N135 WeakPolarHBondContact O-CB 3.34Å; I131-N135 PolarHBondContact O-N 2.94Å; I131-N135 PolarHBondContact O-ND2 3.26Å; S132-N135 PolarHBondContact O-N 3.46Å; K133-N135 VanDerWaalsContact C-N 3.33Å; K133-N135 PolarHBondContact O-N 2.92Å; N135-R139 WeakPolarHBondContact O-CB 3.41Å; N135-R139 VanDerWaalsContact O-CG 3.23Å; N135-R139 WeakPolarHBondContact O-CG 3.46Å; N135-R139 PolarHBondContact O-N 3.12Å |
| 136 | I | 92.1 | Very high | 86.4 | Confident | 89 Ų | 89 | 113.5 Ų | 113.5 | 46% | 0.456 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 174.2 | -70.7 | 163.8 | 0 | 0 | 0 | 109.9 | S132 K133 E134 R139 Q140 | S132-I136 VanDerWaalsContact O-CG1 3.29Å; S132-I136 WeakPolarHBondContact O-CG1 3.3Å; S132-I136 PolarHBondContact O-N 3.04Å; K133-I136 PolarHBondContact O-N 3.23Å; E134-I136 PolarHBondContact O-N 3.19Å; I136-R139 PolarHBondContact O-N 3.39Å; I136-Q140 WeakPolarHBondContact O-CG 3.46Å; I136-Q140 PolarHBondContact O-N 3.36Å |
| 137 | Q | 90.3 | Very high | 84.4 | Confident | 106 Ų | 106 | 113.8 Ų | 113.8 | 50% | 0.495 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.7 | -47.3 | 177.9 | -174 | -178.8 | -16.7 | 0 | 0 | 111.6 | K133 E134 R139 Q140 E141 | K133-Q137 PolarHBondContact O-N 2.92Å; E134-Q137 PolarHBondContact O-N 3.45Å; Q137-R139 VanDerWaalsContact C-N 3.28Å; Q137-R139 PolarHBondContact O-N 3.43Å; Q137-Q140 CarbonylContact O-C 3.59Å; Q137-Q140 WeakPolarHBondContact O-CA 3.35Å; Q137-Q140 WeakPolarHBondContact O-CB 3.43Å; Q137-Q140 PolarHBondContact O-N 2.89Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.32Å; Q137-E141 PolarHBondContact NE2-OE1 3.43Å; Q137-E141 WeakPolarHBondContact O-CG 3.3Å; Q137-E141 PolarHBondContact O-N 3.17Å |
| 138 | I | 86.9 | Confident | 82.5 | Confident | 90 Ų | 90 | 108.8 Ų | 108.8 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 175.2 | -66.9 | 164.4 | 0 | 0 | 0 | 110.6 | E134 Q140 E141 V142 | E134-I138 WeakPolarHBondContact O-CG1 3.26Å; E134-I138 PolarHBondContact O-N 3.05Å; I138-Q140 VanDerWaalsContact C-N 3.29Å; I138-Q140 PolarHBondContact O-N 3.36Å; I138-E141 PolarHBondContact O-N 2.84Å; I138-V142 HydrophobicContact CG2-CG2 4.38Å; I138-V142 WeakPolarHBondContact O-CB 3.45Å; I138-V142 VanDerWaalsContact O-CG2 3.26Å; I138-V142 WeakPolarHBondContact O-CG2 3.34Å; I138-V142 PolarHBondContact O-N 2.88Å |
| 139 | R | 83.3 | Confident | 80.7 | Confident | 187 Ų | 187 | 108.9 Ų | 108.9 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.6 | -32.5 | 175.7 | -75.5 | 174.2 | -179.1 | -125.8 | 3.4 | 112.7 | N135 I136 Q137 K143 | N135-R139 WeakPolarHBondContact O-CB 3.41Å; N135-R139 VanDerWaalsContact O-CG 3.23Å; N135-R139 WeakPolarHBondContact O-CG 3.46Å; N135-R139 PolarHBondContact O-N 3.12Å; I136-R139 PolarHBondContact O-N 3.39Å; Q137-R139 VanDerWaalsContact C-N 3.28Å; Q137-R139 PolarHBondContact O-N 3.43Å; R139-K143 WeakPolarHBondContact O-CB 3.4Å; R139-K143 WeakPolarHBondContact O-CG 3.37Å; R139-K143 PolarHBondContact O-N 3.43Å; R139-K143 VanDerWaalsContact O-N 3.13Å |
| 140 | Q | 82.4 | Confident | 78.9 | Confident | 107 Ų | 107 | 109.6 Ų | 109.6 | 50% | 0.5 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.8 | -47.8 | 173.4 | -74.4 | 173.9 | -26.1 | 0 | 0 | 110.9 | I136 Q137 I138 V142 K143 E144 | I136-Q140 WeakPolarHBondContact O-CG 3.46Å; I136-Q140 PolarHBondContact O-N 3.36Å; Q137-Q140 CarbonylContact O-C 3.59Å; Q137-Q140 WeakPolarHBondContact O-CA 3.35Å; Q137-Q140 WeakPolarHBondContact O-CB 3.43Å; Q137-Q140 PolarHBondContact O-N 2.89Å; I138-Q140 VanDerWaalsContact C-N 3.29Å; I138-Q140 PolarHBondContact O-N 3.36Å; Q140-V142 VanDerWaalsContact C-N 3.29Å; Q140-V142 PolarHBondContact O-N 3.36Å; Q140-K143 CarbonylContact O-C 3.59Å; Q140-K143 WeakPolarHBondContact O-CA 3.37Å; Q140-K143 WeakPolarHBondContact O-CB 3.39Å; Q140-K143 PolarHBondContact O-N 2.98Å; Q140-E144 WeakPolarHBondContact O-CG 3.35Å; Q140-E144 PolarHBondContact O-N 3.02Å |
| 141 | E | 81.8 | Confident | 77.3 | Confident | 104 Ų | 104 | 109.9 Ų | 109.9 | 49% | 0.486 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -56.9 | -42.2 | 176 | -70.4 | 171.4 | -170.3 | 0 | 0 | 111.6 | Q137 I138 E144 S145 | Q137-E141 WeakPolarHBondContact CG-OE1 3.32Å; Q137-E141 PolarHBondContact NE2-OE1 3.43Å; Q137-E141 WeakPolarHBondContact O-CG 3.3Å; Q137-E141 PolarHBondContact O-N 3.17Å; I138-E141 PolarHBondContact O-N 2.84Å; E141-E144 PolarHBondContact O-N 2.83Å; E141-S145 PolarHBondContact O-N 3.03Å |
| 142 | V | 78.2 | Confident | 76 | Confident | 76 Ų | 76 | 110.2 Ų | 110.2 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.1 | -34.7 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 112.4 | I138 Q140 S145 P148 | I138-V142 HydrophobicContact CG2-CG2 4.38Å; I138-V142 WeakPolarHBondContact O-CB 3.45Å; I138-V142 VanDerWaalsContact O-CG2 3.26Å; I138-V142 WeakPolarHBondContact O-CG2 3.34Å; I138-V142 PolarHBondContact O-N 2.88Å; Q140-V142 VanDerWaalsContact C-N 3.29Å; Q140-V142 PolarHBondContact O-N 3.36Å; V142-S145 PolarHBondContact O-OG 3.43Å; V142-P148 HydrophobicContact CG1-CB 4.39Å |
| 143 | K | 75.9 | Confident | 74.8 | Confident | 177 Ų | 177 | 113.7 Ų | 113.7 | 77% | 0.77 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.8 | -34.6 | 175.1 | -82 | -177.7 | 177.4 | -170.4 | 0 | 112.7 | R139 Q140 | R139-K143 WeakPolarHBondContact O-CB 3.4Å; R139-K143 WeakPolarHBondContact O-CG 3.37Å; R139-K143 PolarHBondContact O-N 3.43Å; R139-K143 VanDerWaalsContact O-N 3.13Å; Q140-K143 CarbonylContact O-C 3.59Å; Q140-K143 WeakPolarHBondContact O-CA 3.37Å; Q140-K143 WeakPolarHBondContact O-CB 3.39Å; Q140-K143 PolarHBondContact O-N 2.98Å |
| 144 | E | 75.3 | Confident | 73.7 | Confident | 156 Ų | 156 | 108.6 Ų | 108.6 | 73% | 0.729 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -78 | -26.4 | 178.8 | -72.1 | 177.4 | -173.1 | 0 | 0 | 112.2 | Q140 E141 E146 | Q140-E144 WeakPolarHBondContact O-CG 3.35Å; Q140-E144 PolarHBondContact O-N 3.02Å; E141-E144 PolarHBondContact O-N 2.83Å; E144-E146 PolarHBondContact O-N 3.14Å |
| 145 | S | 64.7 | Low | 72.7 | Confident | 52 Ų | 52 | 108.3 Ų | 108.3 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -65.9 | 117.7 | 162.3 | 70.8 | 0 | 0 | 0 | 0 | 108.4 | E141 V142 E147 P148 | E141-S145 PolarHBondContact O-N 3.03Å; V142-S145 PolarHBondContact O-OG 3.43Å; S145-E147 PolarHBondContact O-N 2.83Å; S145-P148 WeakPolarHBondContact O-CD 3.41Å |
| 146 | E | 56.2 | Low | 71.9 | Confident | 189 Ų | 189 | 105.5 Ų | 105.5 | 88% | 0.883 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -75.5 | 6.8 | 176.2 | -72.4 | -176 | 157.6 | 0 | 0 | 113 | E144 P148 | E144-E146 PolarHBondContact O-N 3.14Å; E146-P148 VanDerWaalsContact C-CD 3.42Å |
| 147 | E | 54.2 | Low | 71.1 | Confident | 148 Ų | 148 | 104.9 Ų | 104.9 | 69% | 0.692 | 53% | 0.531 | S | S | * | . | trans | -93.6 | -5.5 | -178.5 | -68.4 | -170.7 | 160.7 | 0 | 0 | 118.9 | S145 V149 S150 F151 | S145-E147 PolarHBondContact O-N 2.83Å; E147-V149 PolarHBondContact O-N 3.21Å; E147-S150 WeakPolarHBondContact CA-OG 3.42Å; E147-S150 PolarHBondContact O-N 2.92Å; E147-S150 PolarHBondContact O-OG 2.73Å; E147-F151 WeakPolarHBondContact O-CB 3.41Å; E147-F151 PolarHBondContact O-N 3.04Å | ||
| 148 | P | 56.1 | Low | 70.8 | Confident | 39 Ų | 39 | 104.2 Ų | 104.2 | 25% | 0.253 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.3 | -32 | -175.8 | 27.2 | -32.9 | 0 | 0 | 0 | 112.1 | V142 S145 E146 I152 | V142-P148 HydrophobicContact CG1-CB 4.39Å; S145-P148 WeakPolarHBondContact O-CD 3.41Å; E146-P148 VanDerWaalsContact C-CD 3.42Å; P148-I152 WeakPolarHBondContact O-CB 3.47Å; P148-I152 VanDerWaalsContact O-CG1 3.23Å; P148-I152 WeakPolarHBondContact O-CG1 3.47Å; P148-I152 PolarHBondContact O-N 2.96Å |
| 149 | V | 57.1 | Low | 70.4 | Confident | 118 Ų | 118 | 102.3 Ų | 102.3 | 72% | 0.715 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.8 | -40.8 | 177 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | E147 H153 | E147-V149 PolarHBondContact O-N 3.21Å; V149-H153 WeakPolarHBondContact O-CB 3.31Å; V149-H153 PolarHBondContact O-N 3.47Å |
| 150 | S | 59.9 | Low | 70.4 | Confident | 72 Ų | 72 | 97.4 Ų | 97.4 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.9 | -39.2 | 178.2 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | E147 H153 G154 | E147-S150 WeakPolarHBondContact CA-OG 3.42Å; E147-S150 PolarHBondContact O-N 2.92Å; E147-S150 PolarHBondContact O-OG 2.73Å; S150-H153 PolarHBondContact O-N 3.46Å; S150-G154 PolarHBondContact O-N 2.98Å |
| 151 | F | 62.2 | Low | 70.2 | Confident | 142 Ų | 142 | 96.5 Ų | 96.5 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -47.6 | 175.6 | -178.3 | -103.2 | 0 | 0 | 0 | 112.4 | E147 H153 G154 I155 | E147-F151 WeakPolarHBondContact O-CB 3.41Å; E147-F151 PolarHBondContact O-N 3.04Å; F151-H153 VanDerWaalsContact C-N 3.33Å; F151-H153 PolarHBondContact O-N 3.5Å; F151-G154 PolarHBondContact O-N 3.27Å; F151-I155 HydrophobicContact CD1-CD1 3.9Å; F151-I155 HydrophobicContact CE1-CD1 3.26Å; F151-I155 HydrophobicContact CE1-CG1 4.27Å; F151-I155 HydrophobicContact CE2-CD1 4.17Å; F151-I155 HydrophobicContact CZ-CD1 3.43Å; F151-I155 VanDerWaalsContact CZ-CD1 3.43Å; F151-I155 HydrophobicContact CZ-CG1 4.25Å; F151-I155 PolarHBondContact O-N 3.45Å |
| 152 | I | 66.9 | Low | 69.9 | Low | 92 Ų | 92 | 96.7 Ų | 96.7 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.2 | -67.5 | 172.5 | 0 | 0 | 0 | 109.7 | P148 G154 I155 M156 | P148-I152 WeakPolarHBondContact O-CB 3.47Å; P148-I152 VanDerWaalsContact O-CG1 3.23Å; P148-I152 WeakPolarHBondContact O-CG1 3.47Å; P148-I152 PolarHBondContact O-N 2.96Å; I152-G154 VanDerWaalsContact C-N 3.31Å; I152-G154 PolarHBondContact O-N 3.49Å; I152-I155 PolarHBondContact O-N 2.89Å; I152-M156 HydrophobicContact CG2-CG 4.11Å; I152-M156 WeakPolarHBondContact O-CB 3.3Å; I152-M156 WeakPolarHBondContact O-CG 3.35Å; I152-M156 PolarHBondContact O-N 3.3Å |
| 153 | H | 68.1 | Low | 70.1 | Confident | 135 Ų | 135 | 97.8 Ų | 97.8 | 63% | 0.625 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -37.8 | 175.8 | -166.8 | 76.7 | 0 | 0 | 0 | 112.3 | V149 S150 F151 M156 S157 | V149-H153 WeakPolarHBondContact O-CB 3.31Å; V149-H153 PolarHBondContact O-N 3.47Å; S150-H153 PolarHBondContact O-N 3.46Å; F151-H153 VanDerWaalsContact C-N 3.33Å; F151-H153 PolarHBondContact O-N 3.5Å; H153-M156 PolarHBondContact O-N 2.91Å; H153-S157 VanDerWaalsContact O-CB 3.28Å; H153-S157 WeakPolarHBondContact O-CB 3.48Å; H153-S157 PolarHBondContact O-N 2.87Å; H153-S157 PolarHBondContact O-OG 3.45Å |
| 154 | G | 71 | Confident | 70.4 | Confident | 35 Ų | 35 | 94.4 Ų | 94.4 | 36% | 0.361 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | S150 F151 I152 S157 S158 | S150-G154 PolarHBondContact O-N 2.98Å; F151-G154 PolarHBondContact O-N 3.27Å; I152-G154 VanDerWaalsContact C-N 3.31Å; I152-G154 PolarHBondContact O-N 3.49Å; G154-S157 WeakPolarHBondContact CA-OG 3.37Å; G154-S157 PolarHBondContact O-OG 3.46Å; G154-S158 PolarHBondContact O-N 2.85Å; G154-S158 PolarHBondContact O-OG 2.97Å |
| 155 | I | 72.1 | Confident | 70.8 | Confident | 78 Ų | 78 | 89.9 Ų | 89.9 | 40% | 0.4 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -46.6 | 174 | -68.3 | 179.7 | 0 | 0 | 0 | 110.4 | F151 I152 S157 S158 L159 | F151-I155 HydrophobicContact CD1-CD1 3.9Å; F151-I155 HydrophobicContact CE1-CD1 3.26Å; F151-I155 HydrophobicContact CE1-CG1 4.27Å; F151-I155 HydrophobicContact CE2-CD1 4.17Å; F151-I155 HydrophobicContact CZ-CD1 3.43Å; F151-I155 VanDerWaalsContact CZ-CD1 3.43Å; F151-I155 HydrophobicContact CZ-CG1 4.25Å; F151-I155 PolarHBondContact O-N 3.45Å; I152-I155 PolarHBondContact O-N 2.89Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 2.94Å; I155-S158 PolarHBondContact O-N 3.22Å; I155-S158 PolarHBondContact O-OG 3.38Å; I155-L159 HydrophobicContact CG2-CD1 4.47Å; I155-L159 PolarHBondContact O-N 3.44Å |
| 156 | M | 75.8 | Confident | 71.7 | Confident | 24 Ų | 24 | 90 Ų | 90 | 12% | 0.118 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -64.3 | -35 | -178.7 | -68.9 | -57.2 | -73.4 | 0 | 0 | 112.8 | I152 H153 L159 R164 V167 V168 | I152-M156 HydrophobicContact CG2-CG 4.11Å; I152-M156 WeakPolarHBondContact O-CB 3.3Å; I152-M156 WeakPolarHBondContact O-CG 3.35Å; I152-M156 PolarHBondContact O-N 3.3Å; H153-M156 PolarHBondContact O-N 2.91Å; M156-L159 HydrophobicContact SD-CD1 4.18Å; M156-R164 HydrophobicContact CE-CG 4.08Å; M156-R164 WeakPolarHBondContact CE-O 3.44Å; M156-R164 WeakPolarHBondContact O-CD 3.23Å; M156-R164 VanDerWaalsContact O-CG 3.26Å; M156-R164 WeakPolarHBondContact O-CG 3.48Å; M156-V167 HydrophobicContact CE-CB 4.03Å; M156-V167 HydrophobicContact CE-CG1 3.98Å; M156-V167 HydrophobicContact SD-CB 4Å; M156-V167 HydrophobicContact SD-CG1 3.47Å; M156-V167 WeakPolarHBondContact SD-CG1 3.45Å; M156-V168 HydrophobicContact CE-CB 4.08Å; M156-V168 HydrophobicContact CE-CG2 3.12Å |
| 157 | S | 75.9 | Confident | 72.9 | Confident | 75 Ų | 75 | 83.7 Ų | 83.7 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.8 | -25.2 | 178.4 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | H153 G154 I155 | H153-S157 VanDerWaalsContact O-CB 3.28Å; H153-S157 WeakPolarHBondContact O-CB 3.48Å; H153-S157 PolarHBondContact O-N 2.87Å; H153-S157 PolarHBondContact O-OG 3.45Å; G154-S157 WeakPolarHBondContact CA-OG 3.37Å; G154-S157 PolarHBondContact O-OG 3.46Å; I155-S157 VanDerWaalsContact C-N 3.31Å; I155-S157 PolarHBondContact O-N 2.94Å |
| 158 | S | 82.2 | Confident | 74.3 | Confident | 93 Ų | 93 | 80.3 Ų | 80.3 | 65% | 0.65 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -85.4 | -12.4 | 178.2 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | G154 I155 | G154-S158 PolarHBondContact O-N 2.85Å; G154-S158 PolarHBondContact O-OG 2.97Å; I155-S158 PolarHBondContact O-N 3.22Å; I155-S158 PolarHBondContact O-OG 3.38Å |
| 159 | L | 80 | Confident | 75.5 | Confident | 49 Ų | 49 | 83.5 Ų | 83.5 | 26% | 0.257 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -75.2 | 125.1 | 177.2 | -77.8 | 165.6 | 0 | 0 | 0 | 111.1 | I155 M156 L163 R164 V167 | I155-L159 HydrophobicContact CG2-CD1 4.47Å; I155-L159 PolarHBondContact O-N 3.44Å; M156-L159 HydrophobicContact SD-CD1 4.18Å; L159-L163 HydrophobicContact CD2-CB 4.3Å; L159-R164 HydrophobicContact CB-CB 3.86Å; L159-R164 HydrophobicContact CB-CG 4.49Å; L159-V167 HydrophobicContact CD1-CB 4.44Å; L159-V167 HydrophobicContact CD1-CG2 4.11Å |
| 160 | P | 82.1 | Confident | 76.7 | Confident | 85 Ų | 85 | 84.5 Ų | 84.5 | 55% | 0.552 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 148.7 | 171.4 | 28.2 | -32.1 | 0 | 0 | 0 | 110.6 | L163 | P160-L163 WeakPolarHBondContact O-CB 3.21Å; P160-L163 PolarHBondContact O-N 2.89Å |
| 161 | E | 78.8 | Confident | 77.7 | Confident | 88 Ų | 88 | 85 Ų | 85 | 41% | 0.411 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 144.1 | 169.5 | -71.5 | -62.9 | 177.5 | 0 | 0 | 110.7 | R164 S165 | E161-R164 IonicContact OE1-CZ 3.15Å; E161-R164 IonicContact OE1-NE 2.8Å; E161-R164 PolarHBondContact OE1-NE 2.86Å; E161-R164 IonicContact OE1-NH2 2.72Å; E161-R164 PolarHBondContact OE1-NH2 3.5Å; E161-S165 PolarHBondContact OE1-OG 2.84Å; E161-S165 WeakPolarHBondContact OE2-CB 3.44Å; E161-S165 PolarHBondContact OE2-N 3.27Å; E161-S165 PolarHBondContact OE2-OG 2.84Å |
| 162 | P | 76 | Confident | 78.5 | Confident | 107 Ų | 107 | 86.4 Ų | 86.4 | 70% | 0.695 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.5 | 5.4 | 9.5 | 34.8 | -34.9 | 0 | 0 | 0 | 115.8 | R164 S165 A166 | P162-R164 PolarHBondContact O-N 2.89Å; P162-S165 PolarHBondContact O-N 3.36Å; P162-A166 PolarHBondContact O-N 3.48Å |
| 163 | L | 80.7 | Confident | 79 | Confident | 100 Ų | 100 | 87.7 Ų | 87.7 | 52% | 0.524 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | -172.3 | -69.7 | 169.1 | 0 | 0 | 0 | 112.9 | L159 P160 S165 A166 V167 | L159-L163 HydrophobicContact CD2-CB 4.3Å; P160-L163 WeakPolarHBondContact O-CB 3.21Å; P160-L163 PolarHBondContact O-N 2.89Å; L163-S165 VanDerWaalsContact C-N 3.32Å; L163-S165 PolarHBondContact O-N 2.93Å; L163-A166 PolarHBondContact O-N 3.23Å; L163-V167 WeakPolarHBondContact O-CG2 3.34Å; L163-V167 PolarHBondContact O-N 2.92Å |
| 164 | R | 83.5 | Confident | 79.3 | Confident | 106 Ų | 106 | 88.1 Ų | 88.1 | 40% | 0.4 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.3 | -49.3 | 176.6 | -176.2 | -178.9 | 68.9 | 174.5 | 1.7 | 110.7 | M156 L159 E161 P162 A166 V167 V168 | M156-R164 HydrophobicContact CE-CG 4.08Å; M156-R164 WeakPolarHBondContact CE-O 3.44Å; M156-R164 WeakPolarHBondContact O-CD 3.23Å; M156-R164 VanDerWaalsContact O-CG 3.26Å; M156-R164 WeakPolarHBondContact O-CG 3.48Å; L159-R164 HydrophobicContact CB-CB 3.86Å; L159-R164 HydrophobicContact CB-CG 4.49Å; E161-R164 IonicContact OE1-CZ 3.15Å; E161-R164 IonicContact OE1-NE 2.8Å; E161-R164 PolarHBondContact OE1-NE 2.86Å; E161-R164 IonicContact OE1-NH2 2.72Å; E161-R164 PolarHBondContact OE1-NH2 3.5Å; P162-R164 PolarHBondContact O-N 2.89Å; R164-A166 VanDerWaalsContact C-N 3.32Å; R164-A166 PolarHBondContact O-N 3.35Å; R164-V167 PolarHBondContact O-N 3.45Å; R164-V168 WeakPolarHBondContact O-CG2 3.41Å; R164-V168 PolarHBondContact O-N 3.26Å |
| 165 | S | 84.2 | Confident | 79.3 | Confident | 61 Ų | 61 | 89 Ų | 89 | 43% | 0.427 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 178.6 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | E161 P162 L163 V167 V168 E169 | E161-S165 PolarHBondContact OE1-OG 2.84Å; E161-S165 WeakPolarHBondContact OE2-CB 3.44Å; E161-S165 PolarHBondContact OE2-N 3.27Å; E161-S165 PolarHBondContact OE2-OG 2.84Å; P162-S165 PolarHBondContact O-N 3.36Å; L163-S165 VanDerWaalsContact C-N 3.32Å; L163-S165 PolarHBondContact O-N 2.93Å; S165-V167 PolarHBondContact O-N 3.24Å; S165-V168 PolarHBondContact O-N 3.45Å; S165-E169 WeakPolarHBondContact O-CB 3.27Å; S165-E169 PolarHBondContact O-N 3.49Å |
| 166 | A | 82.3 | Confident | 78.8 | Confident | 55 Ų | 55 | 87 Ų | 87 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P162 L163 R164 Y170 | P162-A166 PolarHBondContact O-N 3.48Å; L163-A166 PolarHBondContact O-N 3.23Å; R164-A166 VanDerWaalsContact C-N 3.32Å; R164-A166 PolarHBondContact O-N 3.35Å; A166-Y170 WeakPolarHBondContact O-CB 3.49Å; A166-Y170 PolarHBondContact O-N 2.92Å |
| 167 | V | 82.7 | Confident | 78.1 | Confident | 55 Ų | 55 | 91.9 Ų | 91.9 | 33% | 0.333 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.5 | -39.8 | 177.7 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | M156 L159 L163 R164 S165 E169 Y170 L171 | M156-V167 HydrophobicContact CE-CB 4.03Å; M156-V167 HydrophobicContact CE-CG1 3.98Å; M156-V167 HydrophobicContact SD-CB 4Å; M156-V167 HydrophobicContact SD-CG1 3.47Å; M156-V167 WeakPolarHBondContact SD-CG1 3.45Å; L159-V167 HydrophobicContact CD1-CB 4.44Å; L159-V167 HydrophobicContact CD1-CG2 4.11Å; L163-V167 WeakPolarHBondContact O-CG2 3.34Å; L163-V167 PolarHBondContact O-N 2.92Å; R164-V167 PolarHBondContact O-N 3.45Å; S165-V167 PolarHBondContact O-N 3.24Å; V167-E169 VanDerWaalsContact C-N 3.34Å; V167-Y170 PolarHBondContact O-N 3.02Å; V167-L171 HydrophobicContact CG1-CD1 4.12Å; V167-L171 HydrophobicContact CG1-CG 4.44Å; V167-L171 WeakPolarHBondContact O-CG 3.48Å; V167-L171 PolarHBondContact O-N 2.95Å |
| 168 | V | 82.5 | Confident | 77.4 | Confident | 78 Ų | 78 | 94.6 Ų | 94.6 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.7 | -49.8 | 172.4 | 176.4 | 0 | 0 | 0 | 0 | 109.7 | M156 R164 S165 Y170 L171 Y172 | M156-V168 HydrophobicContact CE-CB 4.08Å; M156-V168 HydrophobicContact CE-CG2 3.12Å; R164-V168 WeakPolarHBondContact O-CG2 3.41Å; R164-V168 PolarHBondContact O-N 3.26Å; S165-V168 PolarHBondContact O-N 3.45Å; V168-Y170 PolarHBondContact O-N 3.39Å; V168-L171 PolarHBondContact O-N 3.35Å; V168-Y172 WeakPolarHBondContact O-CB 3.23Å; V168-Y172 PolarHBondContact O-N 3.22Å |
| 169 | E | 82.6 | Confident | 76 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | -178.5 | -165.5 | -169.3 | 151.4 | 0 | 0 | 112 | S165 V167 Y172 K173 | S165-E169 WeakPolarHBondContact O-CB 3.27Å; S165-E169 PolarHBondContact O-N 3.49Å; V167-E169 VanDerWaalsContact C-N 3.34Å; E169-Y172 PolarHBondContact O-N 3.46Å; E169-K173 HydrophobicContact CG-CD 4.42Å; E169-K173 WeakPolarHBondContact O-CB 3.49Å; E169-K173 WeakPolarHBondContact O-CG 3.4Å; E169-K173 PolarHBondContact O-N 2.95Å; E169-K173 WeakPolarHBondContact OE1-CE 3.34Å; E169-K173 IonicContact OE1-NZ 2.67Å; E169-K173 PolarHBondContact OE1-NZ 2.94Å |
| 170 | Y | 81.7 | Confident | 74.3 | Confident | 139 Ų | 139 | 99.2 Ų | 99.2 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 175.1 | 175.4 | -96.6 | 0 | 0 | 0 | 112.4 | A166 V167 V168 Y172 K173 R174 | A166-Y170 WeakPolarHBondContact O-CB 3.49Å; A166-Y170 PolarHBondContact O-N 2.92Å; V167-Y170 PolarHBondContact O-N 3.02Å; V168-Y170 PolarHBondContact O-N 3.39Å; Y170-Y172 VanDerWaalsContact C-N 3.33Å; Y170-K173 PolarHBondContact O-N 3.08Å; Y170-R174 WeakPolarHBondContact O-CB 3.42Å; Y170-R174 PolarHBondContact O-N 2.96Å |
| 171 | L | 81.2 | Confident | 72.5 | Confident | 82 Ų | 82 | 102.6 Ų | 102.6 | 43% | 0.429 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 178 | -71.1 | 173.6 | 0 | 0 | 0 | 111.4 | V167 V168 R174 A175 | V167-L171 HydrophobicContact CG1-CD1 4.12Å; V167-L171 HydrophobicContact CG1-CG 4.44Å; V167-L171 WeakPolarHBondContact O-CG 3.48Å; V167-L171 PolarHBondContact O-N 2.95Å; V168-L171 PolarHBondContact O-N 3.35Å; L171-R174 PolarHBondContact O-N 3Å; L171-A175 WeakPolarHBondContact O-CB 3.49Å; L171-A175 PolarHBondContact O-N 3.45Å |
| 172 | Y | 78.2 | Confident | 70.9 | Confident | 173 Ų | 173 | 104.1 Ų | 104.1 | 68% | 0.678 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.2 | -50.2 | 175.8 | -162 | -89.6 | 0 | 0 | 0 | 111.4 | V168 E169 Y170 R174 A175 S176 | V168-Y172 WeakPolarHBondContact O-CB 3.23Å; V168-Y172 PolarHBondContact O-N 3.22Å; E169-Y172 PolarHBondContact O-N 3.46Å; Y170-Y172 VanDerWaalsContact C-N 3.33Å; Y172-R174 VanDerWaalsContact C-N 3.29Å; Y172-R174 PolarHBondContact O-N 3.41Å; Y172-A175 PolarHBondContact O-N 3.03Å; Y172-A175 VanDerWaalsContact O-N 3.15Å; Y172-S176 PolarHBondContact O-N 3.5Å; Y172-S176 PolarHBondContact O-OG 3Å |
| 173 | K | 77.4 | Confident | 69.5 | Low | 119 Ų | 119 | 104.4 Ų | 104.4 | 52% | 0.517 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -55.9 | -42.3 | 176.1 | -82.9 | 174.8 | 169.7 | 164.3 | 0 | 112.4 | E169 Y170 S176 I177 | E169-K173 HydrophobicContact CG-CD 4.42Å; E169-K173 WeakPolarHBondContact O-CB 3.49Å; E169-K173 WeakPolarHBondContact O-CG 3.4Å; E169-K173 PolarHBondContact O-N 2.95Å; E169-K173 WeakPolarHBondContact OE1-CE 3.34Å; E169-K173 IonicContact OE1-NZ 2.67Å; E169-K173 PolarHBondContact OE1-NZ 2.94Å; Y170-K173 PolarHBondContact O-N 3.08Å; K173-S176 PolarHBondContact O-N 3.48Å; K173-I177 VanDerWaalsContact O-CG1 3.31Å; K173-I177 WeakPolarHBondContact O-CG1 3.46Å; K173-I177 PolarHBondContact O-N 2.9Å; K173-I177 VanDerWaalsContact O-N 3.08Å |
| 174 | R | 73.6 | Confident | 67.7 | Low | 144 Ų | 144 | 104.7 Ų | 104.7 | 54% | 0.543 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.5 | -40.4 | 178.8 | -165.3 | -179.5 | -179.7 | 176.6 | 2.1 | 112 | Y170 L171 Y172 I177 D178 | Y170-R174 WeakPolarHBondContact O-CB 3.42Å; Y170-R174 PolarHBondContact O-N 2.96Å; L171-R174 PolarHBondContact O-N 3Å; Y172-R174 VanDerWaalsContact C-N 3.29Å; Y172-R174 PolarHBondContact O-N 3.41Å; R174-I177 PolarHBondContact O-N 2.99Å; R174-D178 PolarHBondContact O-N 3.01Å; R174-D178 VanDerWaalsContact O-N 3.15Å |
| 175 | A | 71.5 | Confident | 65.4 | Low | 53 Ų | 53 | 108 Ų | 108 | 44% | 0.438 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L171 Y172 I177 D178 E179 | L171-A175 WeakPolarHBondContact O-CB 3.49Å; L171-A175 PolarHBondContact O-N 3.45Å; Y172-A175 PolarHBondContact O-N 3.03Å; Y172-A175 VanDerWaalsContact O-N 3.15Å; A175-I177 PolarHBondContact O-N 2.87Å; A175-D178 PolarHBondContact O-N 2.76Å; A175-E179 PolarHBondContact O-N 3.28Å |
| 176 | S | 62.3 | Low | 63.3 | Low | 36 Ų | 36 | 113 Ų | 113 | 25% | 0.252 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.8 | -35.4 | 176.1 | -52.3 | 0 | 0 | 0 | 0 | 113.3 | Y172 K173 E179 G180 E181 | Y172-S176 PolarHBondContact O-N 3.5Å; Y172-S176 PolarHBondContact O-OG 3Å; K173-S176 PolarHBondContact O-N 3.48Å; S176-E179 PolarHBondContact O-N 3.06Å; S176-G180 PolarHBondContact O-N 3.46Å; S176-E181 PolarHBondContact O-N 2.97Å |
| 177 | I | 61 | Low | 61.3 | Low | 126 Ų | 126 | 118.4 Ų | 118.4 | 65% | 0.646 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.3 | -40.3 | 174 | -67.8 | 163.7 | 0 | 0 | 0 | 110.8 | K173 R174 A175 E179 G180 | K173-I177 VanDerWaalsContact O-CG1 3.31Å; K173-I177 WeakPolarHBondContact O-CG1 3.46Å; K173-I177 PolarHBondContact O-N 2.9Å; K173-I177 VanDerWaalsContact O-N 3.08Å; R174-I177 PolarHBondContact O-N 2.99Å; A175-I177 PolarHBondContact O-N 2.87Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-G180 PolarHBondContact O-N 3.09Å |
| 178 | D | 60.8 | Low | 59.1 | Low | 133 Ų | 133 | 123.3 Ų | 123.3 | 71% | 0.711 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.7 | -27 | 177.8 | -75.6 | -17.5 | 0 | 0 | 0 | 112.2 | R174 A175 | R174-D178 PolarHBondContact O-N 3.01Å; R174-D178 VanDerWaalsContact O-N 3.15Å; A175-D178 PolarHBondContact O-N 2.76Å |
| 179 | E | 52.6 | Low | 56.9 | Low | 179 Ų | 179 | 126.3 Ų | 126.3 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -91.8 | -3.9 | 174.9 | -67.4 | -158.7 | 168.3 | 0 | 0 | 114.9 | A175 S176 I177 | A175-E179 PolarHBondContact O-N 3.28Å; S176-E179 PolarHBondContact O-N 3.06Å; I177-E179 VanDerWaalsContact C-N 3.34Å |
| 180 | G | 44.3 | Very low | 54.5 | Low | 59 Ų | 59 | 131.5 Ų | 131.5 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.3 | 18.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | S176 I177 | S176-G180 PolarHBondContact O-N 3.46Å; I177-G180 PolarHBondContact O-N 3.09Å |
| 181 | E | 44.5 | Very low | 52.7 | Low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | trans | -79.8 | 121.8 | 167.6 | -79.5 | -161.9 | 160.9 | 0 | 0 | 110.7 | S176 S183 | S176-E181 PolarHBondContact O-N 2.97Å; E181-S183 PolarHBondContact O-N 3.34Å | ||
| 182 | P | 45.5 | Very low | 51.2 | Low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | -73.5 | 116.2 | -177.7 | 28.5 | -31.4 | 0 | 0 | 0 | 109.3 | S184 | P182-S184 VanDerWaalsContact C-N 3.31Å; P182-S184 PolarHBondContact O-N 3.48Å | ||
| 183 | S | 47.6 | Very low | 49.8 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | -59.7 | 96 | 165.8 | 48 | 0 | 0 | 0 | 0 | 109.5 | E181 | E181-S183 PolarHBondContact O-N 3.34Š| ||
| 184 | S | 41.9 | Very low | 48.3 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -55.1 | 140.1 | 154.3 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | P182 | P182-S184 VanDerWaalsContact C-N 3.31Å; P182-S184 PolarHBondContact O-N 3.48Å | ||
| 185 | E | 35.5 | Very low | 46.8 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 87.3 | 77.9 | 178.6 | -53.1 | -179.7 | 177.8 | 0 | 0 | 116.9 | ||||
| 186 | L | 39.6 | Very low | 45.2 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | -149.4 | 49.4 | 123.8 | -99.2 | 165.6 | 0 | 0 | 0 | 109 | Q188 | L186-Q188 PolarHBondContact O-N 3.17Š| |||
| 187 | L | 41 | Very low | 44.1 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -84.6 | 75.7 | 149.7 | -88.9 | 162.9 | 0 | 0 | 0 | 106.4 | ||||
| 188 | Q | 35.4 | Very low | 42.9 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -179.1 | 94.1 | 162 | -104.7 | 163.2 | 43 | 0 | 0 | 109.5 | L186 | L186-Q188 PolarHBondContact O-N 3.17Š| ||
| 189 | D | 37.6 | Very low | 41.5 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | 172.1 | 95.8 | 119.2 | -92.1 | -23.4 | 0 | 0 | 0 | 107.3 | |||||
| 190 | R | 32.7 | Very low | 40.6 | Very low | 215 Ų | 215 | 150.9 Ų | 150.9 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | 81.1 | 117 | 78 | -87.5 | -175.8 | 153.6 | 172.4 | -3.6 | 112.5 | |||||
| 191 | N | 41.9 | Very low | 40.3 | Very low | 233 Ų | 233 | 159.3 Ų | 159.3 | 100% | 1.246 | 83% | 0.833 | S | S | * | * | trans | 85.1 | 0 | 162.9 | -58 | -18 | 0 | 0 | 0 | 116.7 |
Retrieved 191 of 191 residues in 126.4 ms
(Link to these results)