| 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 | 40.2 | Very low | 47.1 | Very low | 250 Ų | 250 | 144.1 Ų | 144.1 | 100% | 1.232 | 81% | 0.813 | S | S | * | * | 0 | 92.1 | 0 | -126.9 | 171.7 | 177.3 | 0 | 0 | 105.7 | |||||
| 2 | E | 36.9 | Very low | 47.4 | Very low | 196 Ų | 196 | 142.5 Ų | 142.5 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -79.3 | 122.1 | -174.2 | -69.9 | 173.3 | 163.9 | 0 | 0 | 109.5 | ||||
| 3 | A | 48.2 | Very low | 48.3 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -89.3 | 108.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | V | 45.2 | Very low | 48.4 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | -67.7 | 133.5 | 173.2 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 5 | P | 46.4 | Very low | 48.5 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | trans | -78 | 142.3 | 178.5 | 30.7 | -32.2 | 0 | 0 | 0 | 111.3 | V7 | P5-V7 PolarHBondContact O-N 2.78Å; P5-V7 VanDerWaalsContact O-N 3.13Å | ||
| 6 | P | 47.4 | Very low | 49.1 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | trans | -86.8 | 85.7 | -178.3 | 34.8 | -31 | 0 | 0 | 0 | 109.7 | ||||
| 7 | V | 53.5 | Low | 49.1 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | trans | -125.3 | 112.2 | 171.1 | -179.4 | 0 | 0 | 0 | 0 | 108 | P5 | P5-V7 PolarHBondContact O-N 2.78Å; P5-V7 VanDerWaalsContact O-N 3.13Å | ||
| 8 | R | 48.1 | Very low | 49.1 | Very low | 224 Ų | 224 | 126.5 Ų | 126.5 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | trans | 170.6 | 15.5 | 152.7 | -94.7 | 160.9 | -170.5 | -154.8 | 4 | 117 | ||||
| 9 | S | 46.8 | Very low | 49.4 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -86.6 | -24.5 | -179.5 | 52 | 0 | 0 | 0 | 0 | 115.5 | ||
| 10 | S | 56.8 | Low | 49.6 | Very low | 85 Ų | 85 | 128 Ų | 128 | 59% | 0.594 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -82 | -41.8 | -173.2 | 71.9 | 0 | 0 | 0 | 0 | 114.2 | L12 G13 I14 | S10-L12 PolarHBondContact O-N 3.13Å; S10-G13 PolarHBondContact O-N 3.41Å; S10-I14 VanDerWaalsContact O-CG1 3.31Å; S10-I14 WeakPolarHBondContact O-CG1 3.42Å; S10-I14 PolarHBondContact O-N 3.04Å |
| 11 | L | 48.8 | Very low | 49.3 | Very low | 132 Ų | 132 | 127 Ų | 127 | 69% | 0.691 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65.2 | -39 | -179 | -96 | 162.8 | 0 | 0 | 0 | 112.6 | G13 I14 L15 | L11-G13 VanDerWaalsContact C-N 3.32Å; L11-I14 PolarHBondContact O-N 3.37Å; L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 PolarHBondContact O-N 3.25Å |
| 12 | L | 50.9 | Low | 49.5 | Very low | 125 Ų | 125 | 118.3 Ų | 118.3 | 65% | 0.654 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.2 | -35.9 | 178.8 | -143.4 | 120.3 | 0 | 0 | 0 | 111.1 | S10 L16 | S10-L12 PolarHBondContact O-N 3.13Å; L12-L16 WeakPolarHBondContact O-CB 3.2Å; L12-L16 PolarHBondContact O-N 3.48Å |
| 13 | G | 58.9 | Low | 50.3 | Low | 33 Ų | 33 | 112.5 Ų | 112.5 | 34% | 0.34 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.7 | -43.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S10 L11 L16 Q17 | S10-G13 PolarHBondContact O-N 3.41Å; L11-G13 VanDerWaalsContact C-N 3.32Å; G13-L16 PolarHBondContact O-N 3.19Å; G13-Q17 PolarHBondContact O-N 3.05Å |
| 14 | I | 49.5 | Very low | 50.4 | Low | 100 Ų | 100 | 111.9 Ų | 111.9 | 51% | 0.513 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.5 | -43.8 | 176.4 | -64.6 | 162.2 | 0 | 0 | 0 | 110.6 | S10 L11 L16 Q17 V18 | S10-I14 VanDerWaalsContact O-CG1 3.31Å; S10-I14 WeakPolarHBondContact O-CG1 3.42Å; S10-I14 PolarHBondContact O-N 3.04Å; L11-I14 PolarHBondContact O-N 3.37Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 3.46Å; I14-Q17 WeakPolarHBondContact O-CB 3.41Å; I14-Q17 PolarHBondContact O-N 3.21Å; I14-Q17 VanDerWaalsContact O-N 3.17Å; I14-V18 HydrophobicContact CG2-CG2 4.5Å; I14-V18 WeakPolarHBondContact O-CG2 3.47Å; I14-V18 PolarHBondContact O-N 3.43Å |
| 15 | L | 50.3 | Low | 50.6 | Low | 109 Ų | 109 | 110.7 Ų | 110.7 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.1 | -41.7 | 176.9 | -163.5 | 75.8 | 0 | 0 | 0 | 111.3 | L11 Q17 V18 I19 | L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 PolarHBondContact O-N 3.25Å; L15-Q17 VanDerWaalsContact C-N 3.34Å; L15-Q17 PolarHBondContact O-N 2.89Å; L15-V18 PolarHBondContact O-N 2.98Å; L15-I19 HydrophobicContact CG-CD1 4.17Å; L15-I19 WeakPolarHBondContact O-CD1 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 3.07Å |
| 16 | L | 57.5 | Low | 50.8 | Low | 114 Ų | 114 | 111.1 Ų | 111.1 | 60% | 0.597 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.3 | -40.3 | 175.6 | -146.9 | 87.3 | 0 | 0 | 0 | 111.7 | L12 G13 I14 I19 R20 | L12-L16 WeakPolarHBondContact O-CB 3.2Å; L12-L16 PolarHBondContact O-N 3.48Å; G13-L16 PolarHBondContact O-N 3.19Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 3.46Å; L16-I19 PolarHBondContact O-N 3.25Å; L16-R20 VanDerWaalsContact O-CB 3.32Å; L16-R20 WeakPolarHBondContact O-CB 3.3Å; L16-R20 PolarHBondContact O-N 3.4Å |
| 17 | Q | 49.9 | Very low | 51.1 | Low | 134 Ų | 134 | 111.3 Ų | 111.3 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.1 | -44.5 | 177.3 | -146.4 | 107 | -6.7 | 0 | 0 | 111.4 | G13 I14 L15 R20 L21 | G13-Q17 PolarHBondContact O-N 3.05Å; I14-Q17 WeakPolarHBondContact O-CB 3.41Å; I14-Q17 PolarHBondContact O-N 3.21Å; I14-Q17 VanDerWaalsContact O-N 3.17Å; L15-Q17 VanDerWaalsContact C-N 3.34Å; L15-Q17 PolarHBondContact O-N 2.89Å; Q17-R20 PolarHBondContact O-N 3.39Å; Q17-L21 WeakPolarHBondContact O-CB 3.26Å; Q17-L21 PolarHBondContact O-N 3.1Å |
| 18 | V | 49.1 | Very low | 51 | Low | 77 Ų | 77 | 109.3 Ų | 109.3 | 47% | 0.467 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.7 | -43.9 | 177.8 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | I14 L15 R20 L21 T22 | I14-V18 HydrophobicContact CG2-CG2 4.5Å; I14-V18 WeakPolarHBondContact O-CG2 3.47Å; I14-V18 PolarHBondContact O-N 3.43Å; L15-V18 PolarHBondContact O-N 2.98Å; V18-R20 VanDerWaalsContact C-N 3.33Å; V18-R20 PolarHBondContact O-N 3.09Å; V18-L21 PolarHBondContact O-N 3.38Å; V18-T22 WeakPolarHBondContact O-CB 3.34Å; V18-T22 PolarHBondContact O-N 2.99Å; V18-T22 PolarHBondContact O-OG1 3.47Å |
| 19 | I | 54 | Low | 50.9 | Low | 92 Ų | 92 | 106.9 Ų | 106.9 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.5 | -43.9 | 175.6 | -68.4 | 164.8 | 0 | 0 | 0 | 110.3 | L15 L16 L21 T22 V23 | L15-I19 HydrophobicContact CG-CD1 4.17Å; L15-I19 WeakPolarHBondContact O-CD1 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 3.07Å; L16-I19 PolarHBondContact O-N 3.25Å; I19-L21 PolarHBondContact O-N 3.44Å; I19-T22 PolarHBondContact O-N 3.35Å; I19-V23 HydrophobicContact CG2-CG2 4.43Å; I19-V23 VanDerWaalsContact O-CG2 3.29Å; I19-V23 WeakPolarHBondContact O-CG2 3.31Å; I19-V23 PolarHBondContact O-N 3.45Å |
| 20 | R | 52.9 | Low | 51 | Low | 191 Ų | 191 | 107.3 Ų | 107.3 | 72% | 0.721 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.4 | -40.6 | 179.4 | -151.9 | 175.1 | -171 | -174 | 1.7 | 112.3 | L16 Q17 V18 L24 | L16-R20 VanDerWaalsContact O-CB 3.32Å; L16-R20 WeakPolarHBondContact O-CB 3.3Å; L16-R20 PolarHBondContact O-N 3.4Å; Q17-R20 PolarHBondContact O-N 3.39Å; V18-R20 VanDerWaalsContact C-N 3.33Å; V18-R20 PolarHBondContact O-N 3.09Å; R20-L24 WeakPolarHBondContact O-CB 3.45Å; R20-L24 WeakPolarHBondContact O-CG 3.49Å; R20-L24 PolarHBondContact O-N 3.41Å |
| 21 | L | 44.9 | Very low | 50.6 | Low | 106 Ų | 106 | 109.6 Ų | 109.6 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.9 | -42.3 | 172.4 | -96.3 | 146.5 | 0 | 0 | 0 | 111.9 | Q17 V18 I19 L24 L25 | Q17-L21 WeakPolarHBondContact O-CB 3.26Å; Q17-L21 PolarHBondContact O-N 3.1Å; V18-L21 PolarHBondContact O-N 3.38Å; I19-L21 PolarHBondContact O-N 3.44Å; L21-L24 PolarHBondContact O-N 3.24Å; L21-L25 WeakPolarHBondContact O-CB 3.46Å; L21-L25 PolarHBondContact O-N 3.07Å |
| 22 | T | 44.3 | Very low | 50.6 | Low | 69 Ų | 69 | 107.6 Ų | 107.6 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 179.4 | -49.7 | 0 | 0 | 0 | 0 | 111.1 | V18 I19 L25 I26 | V18-T22 WeakPolarHBondContact O-CB 3.34Å; V18-T22 PolarHBondContact O-N 2.99Å; V18-T22 PolarHBondContact O-OG1 3.47Å; I19-T22 PolarHBondContact O-N 3.35Å; T22-L25 WeakPolarHBondContact O-CB 3.32Å; T22-L25 PolarHBondContact O-N 2.87Å; T22-I26 HydrophobicContact CG2-CD1 4.04Å; T22-I26 VanDerWaalsContact O-CG1 3.25Å; T22-I26 WeakPolarHBondContact O-CG1 3.3Å; T22-I26 PolarHBondContact O-N 2.95Å |
| 23 | V | 53.2 | Low | 50.6 | Low | 74 Ų | 74 | 109 Ų | 109 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.7 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | I19 L25 I26 Q27 | I19-V23 HydrophobicContact CG2-CG2 4.43Å; I19-V23 VanDerWaalsContact O-CG2 3.29Å; I19-V23 WeakPolarHBondContact O-CG2 3.31Å; I19-V23 PolarHBondContact O-N 3.45Å; V23-L25 VanDerWaalsContact C-N 3.29Å; V23-L25 PolarHBondContact O-N 2.86Å; V23-I26 PolarHBondContact O-N 3.16Å; V23-Q27 WeakPolarHBondContact O-CB 3.48Å; V23-Q27 PolarHBondContact O-N 3.01Å |
| 24 | L | 50.7 | Low | 50.1 | Low | 89 Ų | 89 | 112.1 Ų | 112.1 | 47% | 0.466 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.5 | -35.2 | 174.6 | -76.8 | 166.8 | 0 | 0 | 0 | 112.5 | R20 L21 N28 | R20-L24 WeakPolarHBondContact O-CB 3.45Å; R20-L24 WeakPolarHBondContact O-CG 3.49Å; R20-L24 PolarHBondContact O-N 3.41Å; L21-L24 PolarHBondContact O-N 3.24Å; L24-N28 WeakPolarHBondContact O-CB 3.45Å; L24-N28 PolarHBondContact O-N 3.34Å; L24-N28 PolarHBondContact O-ND2 3.5Å |
| 25 | L | 48 | Very low | 50.1 | Low | 106 Ų | 106 | 113.6 Ų | 113.6 | 56% | 0.555 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.3 | -38.5 | 176.1 | -124.4 | 145.9 | 0 | 0 | 0 | 112 | L21 T22 V23 R29 L32 | L21-L25 WeakPolarHBondContact O-CB 3.46Å; L21-L25 PolarHBondContact O-N 3.07Å; T22-L25 WeakPolarHBondContact O-CB 3.32Å; T22-L25 PolarHBondContact O-N 2.87Å; V23-L25 VanDerWaalsContact C-N 3.29Å; V23-L25 PolarHBondContact O-N 2.86Å; L25-R29 PolarHBondContact O-N 2.94Å; L25-L32 HydrophobicContact CD2-CD2 4.16Å |
| 26 | I | 52.3 | Low | 50.1 | Low | 108 Ų | 108 | 112.9 Ų | 112.9 | 55% | 0.554 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.3 | -38.7 | 175.6 | -67 | 164.8 | 0 | 0 | 0 | 110.8 | T22 V23 N28 R29 | T22-I26 HydrophobicContact CG2-CD1 4.04Å; T22-I26 VanDerWaalsContact O-CG1 3.25Å; T22-I26 WeakPolarHBondContact O-CG1 3.3Å; T22-I26 PolarHBondContact O-N 2.95Å; V23-I26 PolarHBondContact O-N 3.16Å; I26-N28 VanDerWaalsContact C-N 3.33Å; I26-N28 PolarHBondContact O-N 3.22Å; I26-R29 VanDerWaalsContact O-CB 3.25Å; I26-R29 WeakPolarHBondContact O-CB 3.37Å; I26-R29 PolarHBondContact O-N 3.46Å |
| 27 | Q | 52.9 | Low | 49.9 | Very low | 139 Ų | 139 | 111.2 Ų | 111.2 | 65% | 0.65 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.4 | -34.6 | 175.4 | -103.1 | 178.4 | -15 | 0 | 0 | 112.9 | V23 | V23-Q27 WeakPolarHBondContact O-CB 3.48Å; V23-Q27 PolarHBondContact O-N 3.01Å |
| 28 | N | 51.8 | Low | 49.8 | Very low | 76 Ų | 76 | 110.1 Ų | 110.1 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 14.3 | 179.8 | -71.1 | -73.5 | 0 | 0 | 0 | 113.3 | L24 I26 D30 H31 L32 | L24-N28 WeakPolarHBondContact O-CB 3.45Å; L24-N28 PolarHBondContact O-N 3.34Å; L24-N28 PolarHBondContact O-ND2 3.5Å; I26-N28 VanDerWaalsContact C-N 3.33Å; I26-N28 PolarHBondContact O-N 3.22Å; N28-D30 VanDerWaalsContact C-N 3.28Å; N28-D30 PolarHBondContact O-N 3.01Å; N28-H31 WeakPolarHBondContact O-CB 3.39Å; N28-H31 PolarHBondContact O-N 3Å; N28-L32 PolarHBondContact O-N 3.49Å |
| 29 | R | 44.9 | Very low | 49.7 | Very low | 173 Ų | 173 | 113.4 Ų | 113.4 | 65% | 0.653 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.3 | -35.6 | -173.4 | -156.2 | -179.8 | -169.2 | -174.8 | 3.1 | 112.5 | L25 I26 L32 Y33 | L25-R29 PolarHBondContact O-N 2.94Å; I26-R29 VanDerWaalsContact O-CB 3.25Å; I26-R29 WeakPolarHBondContact O-CB 3.37Å; I26-R29 PolarHBondContact O-N 3.46Å; R29-L32 PolarHBondContact O-N 2.99Å; R29-Y33 VanDerWaalsContact O-CB 3.28Å; R29-Y33 WeakPolarHBondContact O-CB 3.36Å; R29-Y33 PolarHBondContact O-N 2.9Å |
| 30 | D | 48.5 | Very low | 49.6 | Very low | 121 Ų | 121 | 113.5 Ų | 113.5 | 65% | 0.647 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.7 | -38 | 175 | -66.5 | -28.3 | 0 | 0 | 0 | 111.8 | N28 N34 | N28-D30 VanDerWaalsContact C-N 3.28Å; N28-D30 PolarHBondContact O-N 3.01Å; D30-N34 VanDerWaalsContact O-CB 3.22Å; D30-N34 WeakPolarHBondContact O-CB 3.31Å; D30-N34 PolarHBondContact O-N 3.14Å; D30-N34 PolarHBondContact O-ND2 3.38Å |
| 31 | H | 49.4 | Very low | 49.3 | Very low | 133 Ų | 133 | 109 Ų | 109 | 62% | 0.616 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.2 | -39.5 | 175.1 | -68.1 | -53.9 | 0 | 0 | 0 | 111.9 | N28 F35 | N28-H31 WeakPolarHBondContact O-CB 3.39Å; N28-H31 PolarHBondContact O-N 3Å; H31-F35 WeakPolarHBondContact O-CB 3.28Å; H31-F35 PolarHBondContact O-N 3.49Å |
| 32 | L | 48.3 | Very low | 49.5 | Very low | 90 Ų | 90 | 110.1 Ų | 110.1 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 176 | -165.7 | 75.1 | 0 | 0 | 0 | 111.6 | L25 N28 R29 F35 L36 | L25-L32 HydrophobicContact CD2-CD2 4.16Å; N28-L32 PolarHBondContact O-N 3.49Å; R29-L32 PolarHBondContact O-N 2.99Å; L32-F35 PolarHBondContact O-N 2.98Å; L32-L36 PolarHBondContact O-N 3.21Å |
| 33 | Y | 52.3 | Low | 49.8 | Very low | 156 Ų | 156 | 112.6 Ų | 112.6 | 61% | 0.612 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.6 | -46.4 | 177.5 | -165.1 | -96.2 | 0 | 0 | 0 | 111.3 | R29 F35 L36 L37 | R29-Y33 VanDerWaalsContact O-CB 3.28Å; R29-Y33 WeakPolarHBondContact O-CB 3.36Å; R29-Y33 PolarHBondContact O-N 2.9Å; Y33-F35 VanDerWaalsContact C-N 3.29Å; Y33-F35 PolarHBondContact O-N 2.9Å; Y33-L36 PolarHBondContact O-N 3.39Å; Y33-L37 HydrophobicContact CD1-CD1 4.06Å; Y33-L37 HydrophobicContact CE1-CD1 3.53Å; Y33-L37 WeakPolarHBondContact O-CB 3.39Å; Y33-L37 PolarHBondContact O-N 2.98Å |
| 34 | N | 47.8 | Very low | 49.5 | Very low | 97 Ų | 97 | 113.2 Ų | 113.2 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 174.8 | -77 | -45.7 | 0 | 0 | 0 | 112.2 | D30 L37 L38 | D30-N34 VanDerWaalsContact O-CB 3.22Å; D30-N34 WeakPolarHBondContact O-CB 3.31Å; D30-N34 PolarHBondContact O-N 3.14Å; D30-N34 PolarHBondContact O-ND2 3.38Å; N34-L37 PolarHBondContact O-N 3.48Å; N34-L38 WeakPolarHBondContact O-CB 3.34Å; N34-L38 PolarHBondContact O-N 3Å |
| 35 | F | 48.3 | Very low | 49.4 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.2 | -43 | 174.3 | -179.1 | -99.3 | 0 | 0 | 0 | 112.2 | H31 L32 Y33 L37 L38 K39 | H31-F35 WeakPolarHBondContact O-CB 3.28Å; H31-F35 PolarHBondContact O-N 3.49Å; L32-F35 PolarHBondContact O-N 2.98Å; Y33-F35 VanDerWaalsContact C-N 3.29Å; Y33-F35 PolarHBondContact O-N 2.9Å; F35-L37 VanDerWaalsContact C-N 3.33Å; F35-L37 PolarHBondContact O-N 3.42Å; F35-L38 WeakPolarHBondContact O-CB 3.49Å; F35-L38 PolarHBondContact O-N 2.96Å; F35-K39 PolarHBondContact O-N 2.82Å |
| 36 | L | 51.6 | Low | 49.8 | Very low | 94 Ų | 94 | 118 Ų | 118 | 49% | 0.492 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.9 | -42.4 | 174.1 | -123.7 | 83.5 | 0 | 0 | 0 | 111.4 | L32 Y33 L38 K39 I40 | L32-L36 PolarHBondContact O-N 3.21Å; Y33-L36 PolarHBondContact O-N 3.39Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 3.44Å; L36-K39 WeakPolarHBondContact O-CB 3.35Å; L36-K39 PolarHBondContact O-N 3.04Å; L36-I40 WeakPolarHBondContact O-CG1 3.42Å; L36-I40 PolarHBondContact O-N 2.63Å |
| 37 | L | 52.5 | Low | 49.8 | Very low | 79 Ų | 79 | 115.6 Ų | 115.6 | 41% | 0.414 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 178.2 | -135.6 | 105.7 | 0 | 0 | 0 | 111.5 | Y33 N34 F35 I40 N41 | Y33-L37 HydrophobicContact CD1-CD1 4.06Å; Y33-L37 HydrophobicContact CE1-CD1 3.53Å; Y33-L37 WeakPolarHBondContact O-CB 3.39Å; Y33-L37 PolarHBondContact O-N 2.98Å; N34-L37 PolarHBondContact O-N 3.48Å; F35-L37 VanDerWaalsContact C-N 3.33Å; F35-L37 PolarHBondContact O-N 3.42Å; L37-I40 PolarHBondContact O-N 3.21Å; L37-N41 WeakPolarHBondContact O-CB 3.43Å; L37-N41 PolarHBondContact O-N 2.93Å |
| 38 | L | 48.9 | Very low | 49.5 | Very low | 110 Ų | 110 | 111.9 Ų | 111.9 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 174.9 | -167 | 82.8 | 0 | 0 | 0 | 111.1 | N34 F35 L36 N41 L42 | N34-L38 WeakPolarHBondContact O-CB 3.34Å; N34-L38 PolarHBondContact O-N 3Å; F35-L38 WeakPolarHBondContact O-CB 3.49Å; F35-L38 PolarHBondContact O-N 2.96Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 3.44Å; L38-N41 PolarHBondContact O-N 2.83Å; L38-L42 WeakPolarHBondContact O-CB 3.43Å; L38-L42 PolarHBondContact O-N 3.3Å |
| 39 | K | 46.9 | Very low | 49.6 | Very low | 146 Ų | 146 | 109.7 Ų | 109.7 | 64% | 0.635 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 177.2 | -175.9 | 176.3 | 173.4 | 173.4 | 0 | 111.7 | F35 L36 L42 F43 | F35-K39 PolarHBondContact O-N 2.82Å; L36-K39 WeakPolarHBondContact O-CB 3.35Å; L36-K39 PolarHBondContact O-N 3.04Å; K39-L42 PolarHBondContact O-N 2.97Å; K39-F43 WeakPolarHBondContact O-CB 3.36Å; K39-F43 PolarHBondContact O-N 3.38Å |
| 40 | I | 51.2 | Low | 49.5 | Very low | 94 Ų | 94 | 105.6 Ų | 105.6 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 177 | -67.8 | 167.3 | 0 | 0 | 0 | 110.9 | L36 L37 L42 F43 N44 | L36-I40 WeakPolarHBondContact O-CG1 3.42Å; L36-I40 PolarHBondContact O-N 2.63Å; L37-I40 PolarHBondContact O-N 3.21Å; I40-L42 PolarHBondContact O-N 2.91Å; I40-F43 PolarHBondContact O-N 3.18Å; I40-N44 WeakPolarHBondContact O-CB 3.38Å; I40-N44 PolarHBondContact O-N 2.99Å |
| 41 | N | 47.2 | Very low | 49.5 | Very low | 96 Ų | 96 | 103.8 Ų | 103.8 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 176.9 | -106.6 | -47.9 | 0 | 0 | 0 | 112.4 | L37 L38 F43 N44 H45 | L37-N41 WeakPolarHBondContact O-CB 3.43Å; L37-N41 PolarHBondContact O-N 2.93Å; L38-N41 PolarHBondContact O-N 2.83Å; N41-F43 VanDerWaalsContact C-N 3.33Å; N41-F43 PolarHBondContact O-N 3.33Å; N41-N44 PolarHBondContact O-N 2.95Å; N41-H45 WeakPolarHBondContact O-CB 3.24Å; N41-H45 PolarHBondContact O-N 2.94Å |
| 42 | L | 49.2 | Very low | 49.4 | Very low | 131 Ų | 131 | 104.8 Ų | 104.8 | 69% | 0.686 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | 177.5 | -166.8 | 71.5 | 0 | 0 | 0 | 111.3 | L38 K39 I40 H45 W46 | L38-L42 WeakPolarHBondContact O-CB 3.43Å; L38-L42 PolarHBondContact O-N 3.3Å; K39-L42 PolarHBondContact O-N 2.97Å; I40-L42 PolarHBondContact O-N 2.91Å; L42-H45 PolarHBondContact O-N 3.46Å; L42-W46 WeakPolarHBondContact O-CB 3.48Å; L42-W46 PolarHBondContact O-N 3.46Å |
| 43 | F | 50.3 | Low | 49.5 | Very low | 121 Ų | 121 | 108.8 Ų | 108.8 | 53% | 0.531 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 175 | -174.1 | -100.2 | 0 | 0 | 0 | 111.8 | K39 I40 N41 H45 W46 V47 | K39-F43 WeakPolarHBondContact O-CB 3.36Å; K39-F43 PolarHBondContact O-N 3.38Å; I40-F43 PolarHBondContact O-N 3.18Å; N41-F43 VanDerWaalsContact C-N 3.33Å; N41-F43 PolarHBondContact O-N 3.33Å; F43-H45 VanDerWaalsContact C-N 3.31Å; F43-H45 PolarHBondContact O-N 2.88Å; F43-W46 HydrophobicContact CD2-CE3 4.31Å; F43-W46 HydrophobicContact CE2-CE3 4.12Å; F43-W46 HydrophobicContact CE2-CZ3 4.1Å; F43-W46 WeakPolarHBondContact O-CB 3.46Å; F43-W46 PolarHBondContact O-N 3.36Å; F43-V47 HydrophobicContact CD1-CG2 4.14Å; F43-V47 HydrophobicContact CE1-CG2 3.78Å; F43-V47 HydrophobicContact CE2-CG2 4.46Å; F43-V47 HydrophobicContact CZ-CG2 3.96Å; F43-V47 WeakPolarHBondContact O-CG2 3.41Å; F43-V47 PolarHBondContact O-N 3.42Å |
| 44 | N | 47 | Very low | 49.1 | Very low | 87 Ų | 87 | 105.5 Ų | 105.5 | 47% | 0.465 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 176.9 | -77 | -18.7 | 0 | 0 | 0 | 112.4 | I40 N41 V47 S48 | I40-N44 WeakPolarHBondContact O-CB 3.38Å; I40-N44 PolarHBondContact O-N 2.99Å; N41-N44 PolarHBondContact O-N 2.95Å; N44-V47 PolarHBondContact O-N 2.96Å; N44-S48 VanDerWaalsContact O-CB 3.31Å; N44-S48 WeakPolarHBondContact O-CB 3.26Å; N44-S48 PolarHBondContact O-N 3.29Å |
| 45 | H | 47.5 | Very low | 48.7 | Very low | 140 Ų | 140 | 111.5 Ų | 111.5 | 65% | 0.648 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.8 | -39.6 | 175.9 | -125.2 | 66.3 | 0 | 0 | 0 | 112.2 | N41 L42 F43 S48 G49 | N41-H45 WeakPolarHBondContact O-CB 3.24Å; N41-H45 PolarHBondContact O-N 2.94Å; L42-H45 PolarHBondContact O-N 3.46Å; F43-H45 VanDerWaalsContact C-N 3.31Å; F43-H45 PolarHBondContact O-N 2.88Å; H45-S48 PolarHBondContact O-N 3.49Å; H45-G49 PolarHBondContact O-N 3.4Å |
| 46 | W | 57 | Low | 48.2 | Very low | 156 Ų | 156 | 108.2 Ų | 108.2 | 59% | 0.591 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.3 | -45.7 | 175.2 | -179.9 | 73.5 | 0 | 0 | 0 | 111.5 | L42 F43 S48 G49 L50 | L42-W46 WeakPolarHBondContact O-CB 3.48Å; L42-W46 PolarHBondContact O-N 3.46Å; F43-W46 HydrophobicContact CD2-CE3 4.31Å; F43-W46 HydrophobicContact CE2-CE3 4.12Å; F43-W46 HydrophobicContact CE2-CZ3 4.1Å; F43-W46 WeakPolarHBondContact O-CB 3.46Å; F43-W46 PolarHBondContact O-N 3.36Å; W46-S48 VanDerWaalsContact C-N 3.35Å; W46-S48 PolarHBondContact O-N 2.84Å; W46-G49 PolarHBondContact O-N 2.96Å; W46-L50 HydrophobicContact CD2-CD1 4Å; W46-L50 HydrophobicContact CE3-CD1 3.98Å; W46-L50 HydrophobicContact CH2-CD1 3.71Å; W46-L50 HydrophobicContact CZ2-CD1 3.73Å; W46-L50 HydrophobicContact CZ3-CD1 3.84Å; W46-L50 WeakPolarHBondContact O-CG 3.38Å; W46-L50 PolarHBondContact O-N 3.41Å |
| 47 | V | 51.2 | Low | 47.8 | Very low | 56 Ų | 56 | 109 Ų | 109 | 34% | 0.339 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.3 | -40 | 174.7 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | F43 N44 G49 L50 T51 | F43-V47 HydrophobicContact CD1-CG2 4.14Å; F43-V47 HydrophobicContact CE1-CG2 3.78Å; F43-V47 HydrophobicContact CE2-CG2 4.46Å; F43-V47 HydrophobicContact CZ-CG2 3.96Å; F43-V47 WeakPolarHBondContact O-CG2 3.41Å; F43-V47 PolarHBondContact O-N 3.42Å; N44-V47 PolarHBondContact O-N 2.96Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 3.28Å; V47-L50 PolarHBondContact O-N 2.91Å; V47-T51 WeakPolarHBondContact O-CG2 3.45Å; V47-T51 PolarHBondContact O-N 2.85Å; V47-T51 VanDerWaalsContact O-N 3.08Å; V47-T51 PolarHBondContact O-OG1 3.48Å |
| 48 | S | 48.5 | Very low | 46.8 | Very low | 61 Ų | 61 | 110.5 Ų | 110.5 | 43% | 0.427 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67 | -31.3 | 175.5 | -170.6 | 0 | 0 | 0 | 0 | 113 | N44 H45 W46 T51 Q52 | N44-S48 VanDerWaalsContact O-CB 3.31Å; N44-S48 WeakPolarHBondContact O-CB 3.26Å; N44-S48 PolarHBondContact O-N 3.29Å; H45-S48 PolarHBondContact O-N 3.49Å; W46-S48 VanDerWaalsContact C-N 3.35Å; W46-S48 PolarHBondContact O-N 2.84Å; S48-T51 WeakPolarHBondContact CA-OG1 3.39Å; S48-T51 PolarHBondContact O-OG1 2.99Å; S48-Q52 PolarHBondContact O-N 3.38Å |
| 49 | G | 52.6 | Low | 46.4 | Very low | 31 Ų | 31 | 111 Ų | 111 | 32% | 0.32 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.3 | -41.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H45 W46 V47 T51 Q52 E53 | H45-G49 PolarHBondContact O-N 3.4Å; W46-G49 PolarHBondContact O-N 2.96Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 3.28Å; G49-T51 PolarHBondContact O-N 2.91Å; G49-Q52 PolarHBondContact O-N 3.48Å; G49-E53 PolarHBondContact O-N 3.03Å |
| 50 | L | 43.9 | Very low | 45.7 | Very low | 87 Ų | 87 | 114.5 Ų | 114.5 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.8 | -38.6 | 176 | -69.5 | 170.5 | 0 | 0 | 0 | 112.5 | W46 V47 Q52 A54 | W46-L50 HydrophobicContact CD2-CD1 4Å; W46-L50 HydrophobicContact CE3-CD1 3.98Å; W46-L50 HydrophobicContact CH2-CD1 3.71Å; W46-L50 HydrophobicContact CZ2-CD1 3.73Å; W46-L50 HydrophobicContact CZ3-CD1 3.84Å; W46-L50 WeakPolarHBondContact O-CG 3.38Å; W46-L50 PolarHBondContact O-N 3.41Å; V47-L50 PolarHBondContact O-N 2.91Å; L50-Q52 VanDerWaalsContact C-N 3.35Å; L50-A54 WeakPolarHBondContact O-CB 3.06Å; L50-A54 PolarHBondContact O-N 3.46Å; L50-A54 VanDerWaalsContact O-N 3.1Å |
| 51 | T | 46.9 | Very low | 45 | Very low | 83 Ų | 83 | 118.4 Ų | 118.4 | 51% | 0.509 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.3 | -28.3 | 177.1 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | V47 S48 G49 | V47-T51 WeakPolarHBondContact O-CG2 3.45Å; V47-T51 PolarHBondContact O-N 2.85Å; V47-T51 VanDerWaalsContact O-N 3.08Å; V47-T51 PolarHBondContact O-OG1 3.48Å; S48-T51 WeakPolarHBondContact CA-OG1 3.39Å; S48-T51 PolarHBondContact O-OG1 2.99Å; G49-T51 PolarHBondContact O-N 2.91Å |
| 52 | Q | 48.6 | Very low | 44.3 | Very low | 154 Ų | 154 | 117.1 Ų | 117.1 | 72% | 0.72 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.6 | -40 | 173.5 | -120.3 | 177.6 | -4 | 0 | 0 | 112.3 | S48 G49 L50 A54 R55 | S48-Q52 PolarHBondContact O-N 3.38Å; G49-Q52 PolarHBondContact O-N 3.48Å; L50-Q52 VanDerWaalsContact C-N 3.35Å; Q52-A54 VanDerWaalsContact C-N 3.28Å; Q52-A54 PolarHBondContact O-N 3.5Å; Q52-R55 PolarHBondContact O-N 3.28Å; Q52-R55 VanDerWaalsContact O-N 3.16Å |
| 53 | E | 49.2 | Very low | 43.3 | Very low | 173 Ų | 173 | 119.7 Ų | 119.7 | 81% | 0.808 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.3 | -35.5 | 175.5 | -159.4 | 110.6 | -146.6 | 0 | 0 | 111.1 | G49 R55 | G49-E53 PolarHBondContact O-N 3.03Å; E53-R55 VanDerWaalsContact C-N 3.25Å; E53-R55 PolarHBondContact O-N 3.3Å |
| 54 | A | 44.8 | Very low | 42.6 | Very low | 88 Ų | 88 | 122 Ų | 122 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -13.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L50 Q52 | L50-A54 WeakPolarHBondContact O-CB 3.06Å; L50-A54 PolarHBondContact O-N 3.46Å; L50-A54 VanDerWaalsContact O-N 3.1Å; Q52-A54 VanDerWaalsContact C-N 3.28Å; Q52-A54 PolarHBondContact O-N 3.5Å |
| 55 | R | 39.8 | Very low | 42.1 | Very low | 223 Ų | 223 | 123.8 Ų | 123.8 | 84% | 0.842 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -1.2 | -170.6 | -142.6 | 173.6 | -170.4 | 177.6 | 2.9 | 115.7 | Q52 E53 | Q52-R55 PolarHBondContact O-N 3.28Å; Q52-R55 VanDerWaalsContact O-N 3.16Å; E53-R55 VanDerWaalsContact C-N 3.25Å; E53-R55 PolarHBondContact O-N 3.3Å |
| 56 | G | 37.9 | Very low | 41.8 | Very low | 63 Ų | 63 | 125.7 Ų | 125.7 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | trans | 74.5 | 131.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 57 | S | 42.9 | Very low | 40.7 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | -70.1 | 134.1 | -176.6 | 163.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 58 | C | 32.4 | Very low | 40 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | -118.7 | 151.1 | 159.3 | -87.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 59 | N | 40.1 | Very low | 39.4 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | trans | -73.2 | -167.5 | -143.9 | -147.5 | -16.5 | 0 | 0 | 0 | 115.8 | ||||
| 60 | W | 30.7 | Very low | 38.9 | Very low | 220 Ų | 220 | 128.2 Ų | 128.2 | 83% | 0.833 | 75% | 0.747 | S | S | * | * | trans | 112.7 | 72.2 | 168.4 | -54.6 | 107.8 | 0 | 0 | 0 | 115 | ||||
| 61 | Q | 37.6 | Very low | 38.8 | Very low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -65.8 | 120.6 | 138.3 | -112.2 | 117.9 | -11.3 | 0 | 0 | 108.6 | ||||
| 62 | A | 31.4 | Very low | 38.5 | Very low | 69 Ų | 69 | 129 Ų | 129 | 57% | 0.57 | 76% | 0.76 | S | S | * | * | trans | -171.9 | 138.2 | 139.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 63 | H | 30.1 | Very low | 38.2 | Very low | 184 Ų | 184 | 126.6 Ų | 126.6 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | 85.5 | 93.9 | 163 | -45.8 | -52.8 | 0 | 0 | 0 | 118.5 | ||||
| 64 | L | 34.9 | Very low | 37.8 | Very low | 170 Ų | 170 | 120.4 Ų | 120.4 | 89% | 0.89 | 74% | 0.735 | S | S | * | * | trans | -76.4 | 145.5 | 155 | -120.8 | 74.9 | 0 | 0 | 0 | 109.3 | ||||
| 65 | P | 36.5 | Very low | 37.7 | Very low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | -130.7 | 145.1 | 128.5 | 30 | -15.5 | 0 | 0 | 0 | 114 | |||||
| 66 | L | 40.3 | Very low | 38.1 | Very low | 179 Ų | 179 | 117.4 Ų | 117.4 | 94% | 0.937 | 72% | 0.718 | S | S | * | * | trans | -57.6 | 126.1 | 174 | -168.2 | 69.9 | 0 | 0 | 0 | 111.5 | ||||
| 67 | G | 35.5 | Very low | 38.4 | Very low | 76 Ų | 76 | 119.4 Ų | 119.4 | 78% | 0.784 | 71% | 0.709 | S | S | * | * | trans | 143.1 | 74.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 68 | A | 34.8 | Very low | 38.7 | Very low | 96 Ų | 96 | 123.5 Ų | 123.5 | 79% | 0.793 | 71% | 0.707 | S | S | * | * | trans | -144.7 | 47 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 69 | A | 36.4 | Very low | 39.5 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -77.5 | 131.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||
| 70 | A | 41.7 | Very low | 40 | Very low | 86 Ų | 86 | 116.9 Ų | 116.9 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | trans | 80.9 | 54.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 71 | C | 42.1 | Very low | 40.9 | Very low | 84 Ų | 84 | 109 Ų | 109 | 57% | 0.568 | 65% | 0.654 | S | S | * | * | trans | -89.3 | 119 | 162.3 | -150.2 | 0 | 0 | 0 | 0 | 110.4 | L73 G74 | C71-L73 PolarHBondContact O-N 3.28Å; C71-L73 VanDerWaalsContact O-N 3.12Å; C71-G74 PolarHBondContact O-N 2.99Å | ||
| 72 | P | 41.6 | Very low | 41.8 | Very low | 103 Ų | 103 | 103 Ų | 103 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.3 | -23 | -176.3 | 22.5 | -32 | 0 | 0 | 0 | 113.2 | G74 R75 A76 | P72-G74 VanDerWaalsContact C-N 3.3Å; P72-G74 PolarHBondContact O-N 2.97Å; P72-R75 PolarHBondContact O-N 3.48Å; P72-A76 PolarHBondContact O-N 3.38Å |
| 73 | L | 40.8 | Very low | 42.7 | Very low | 104 Ų | 104 | 106.1 Ų | 106.1 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.3 | -33 | 175.3 | -164.8 | 62.2 | 0 | 0 | 0 | 112.7 | C71 R75 F77 | C71-L73 PolarHBondContact O-N 3.28Å; C71-L73 VanDerWaalsContact O-N 3.12Å; L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 PolarHBondContact O-N 3.43Å; L73-F77 HydrophobicContact CD1-CD2 4.36Å; L73-F77 HydrophobicContact CD1-CE2 4.39Å; L73-F77 HydrophobicContact CG-CD2 4.2Å; L73-F77 HydrophobicContact CG-CE2 4.38Å; L73-F77 WeakPolarHBondContact O-CB 3.4Å; L73-F77 PolarHBondContact O-N 2.91Å |
| 74 | G | 41 | Very low | 43.7 | Very low | 43 Ų | 43 | 100.2 Ų | 100.2 | 44% | 0.443 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.9 | -25.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C71 P72 R78 | C71-G74 PolarHBondContact O-N 2.99Å; P72-G74 VanDerWaalsContact C-N 3.3Å; P72-G74 PolarHBondContact O-N 2.97Å; G74-R78 WeakPolarHBondContact O-CB 3.31Å; G74-R78 PolarHBondContact O-N 3.4Å |
| 75 | R | 44.3 | Very low | 44.4 | Very low | 185 Ų | 185 | 98 Ų | 98 | 70% | 0.698 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -77.9 | -42.7 | 174.8 | -109.3 | -178 | -85.5 | 170.2 | -6.1 | 111.4 | P72 L73 R78 A79 | P72-R75 PolarHBondContact O-N 3.48Å; L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 PolarHBondContact O-N 3.43Å; R75-R78 PolarHBondContact O-N 2.89Å; R75-A79 PolarHBondContact O-N 2.83Å |
| 76 | A | 47 | Very low | 45.2 | Very low | 63 Ų | 63 | 96.4 Ų | 96.4 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.7 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P72 R78 A79 G80 | P72-A76 PolarHBondContact O-N 3.38Å; A76-R78 VanDerWaalsContact C-N 3.3Å; A76-R78 PolarHBondContact O-N 2.92Å; A76-A79 PolarHBondContact O-N 3.48Å; A76-G80 PolarHBondContact O-N 3.4Å |
| 77 | F | 43.7 | Very low | 45.6 | Very low | 104 Ų | 104 | 90 Ų | 90 | 46% | 0.456 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.2 | -36.7 | 174.1 | -103.1 | -84.8 | 0 | 0 | 0 | 112.7 | L73 L81 V152 | L73-F77 HydrophobicContact CD1-CD2 4.36Å; L73-F77 HydrophobicContact CD1-CE2 4.39Å; L73-F77 HydrophobicContact CG-CD2 4.2Å; L73-F77 HydrophobicContact CG-CE2 4.38Å; L73-F77 WeakPolarHBondContact O-CB 3.4Å; L73-F77 PolarHBondContact O-N 2.91Å; F77-L81 WeakPolarHBondContact O-CB 3.44Å; F77-L81 PolarHBondContact O-N 3.47Å; F77-V152 HydrophobicContact CE1-CG1 4.31Å; F77-V152 HydrophobicContact CZ-CG1 3.78Å |
| 78 | R | 49.8 | Very low | 46.6 | Very low | 198 Ų | 198 | 88.5 Ų | 88.5 | 75% | 0.747 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.1 | -39.2 | 179.3 | -157.3 | -179.8 | -66.4 | -139.9 | 1.1 | 112 | G74 R75 A76 L81 A82 | G74-R78 WeakPolarHBondContact O-CB 3.31Å; G74-R78 PolarHBondContact O-N 3.4Å; R75-R78 PolarHBondContact O-N 2.89Å; A76-R78 VanDerWaalsContact C-N 3.3Å; A76-R78 PolarHBondContact O-N 2.92Å; R78-L81 PolarHBondContact O-N 2.92Å; R78-A82 PolarHBondContact O-N 2.92Å; R78-A82 VanDerWaalsContact O-N 3.15Å |
| 79 | A | 48.8 | Very low | 47.8 | Very low | 59 Ų | 59 | 91.4 Ų | 91.4 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R75 A76 L81 A82 L83 | R75-A79 PolarHBondContact O-N 2.83Å; A76-A79 PolarHBondContact O-N 3.48Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 3.31Å; A79-A82 PolarHBondContact O-N 3.45Å; A79-L83 PolarHBondContact O-N 2.95Å |
| 80 | G | 50.6 | Low | 48.6 | Very low | 32 Ų | 32 | 92 Ų | 92 | 33% | 0.33 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A76 L83 I84 | A76-G80 PolarHBondContact O-N 3.4Å; G80-L83 PolarHBondContact O-N 2.9Å; G80-I84 WeakPolarHBondContact O-CG1 3.32Å; G80-I84 PolarHBondContact O-N 3.17Å |
| 81 | L | 49.6 | Very low | 49.4 | Very low | 53 Ų | 53 | 92.5 Ų | 92.5 | 28% | 0.277 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.5 | -120.6 | 94.5 | 0 | 0 | 0 | 112.2 | F77 R78 A79 L83 I84 Q85 V174 | F77-L81 WeakPolarHBondContact O-CB 3.44Å; F77-L81 PolarHBondContact O-N 3.47Å; R78-L81 PolarHBondContact O-N 2.92Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 3.31Å; L81-L83 VanDerWaalsContact C-N 3.27Å; L81-L83 PolarHBondContact O-N 3.48Å; L81-I84 PolarHBondContact O-N 3.39Å; L81-Q85 VanDerWaalsContact O-CB 3.25Å; L81-Q85 WeakPolarHBondContact O-CB 3.22Å; L81-Q85 PolarHBondContact O-N 2.9Å; L81-V174 HydrophobicContact CD2-CG1 3.73Å |
| 82 | A | 56.5 | Low | 50 | Low | 52 Ų | 52 | 93.1 Ų | 93.1 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -39 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R78 A79 I84 Q85 V86 | R78-A82 PolarHBondContact O-N 2.92Å; R78-A82 VanDerWaalsContact O-N 3.15Å; A79-A82 PolarHBondContact O-N 3.45Å; A82-I84 VanDerWaalsContact C-N 3.33Å; A82-I84 PolarHBondContact O-N 3.44Å; A82-Q85 PolarHBondContact O-N 2.95Å; A82-V86 WeakPolarHBondContact O-CG2 3.27Å; A82-V86 PolarHBondContact O-N 3.37Å |
| 83 | L | 50.7 | Low | 50.5 | Low | 133 Ų | 133 | 91.3 Ų | 91.3 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.7 | -29.7 | 177.4 | -78.6 | 164.9 | 0 | 0 | 0 | 113.9 | A79 G80 L81 P87 | A79-L83 PolarHBondContact O-N 2.95Å; G80-L83 PolarHBondContact O-N 2.9Å; L81-L83 VanDerWaalsContact C-N 3.27Å; L81-L83 PolarHBondContact O-N 3.48Å; L83-P87 WeakPolarHBondContact O-CD 3.35Å; L83-P87 VanDerWaalsContact O-CG 3.28Å; L83-P87 WeakPolarHBondContact O-CG 3.37Å |
| 84 | I | 50.2 | Low | 51.2 | Low | 60 Ų | 60 | 87.8 Ų | 87.8 | 31% | 0.308 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -87.5 | -32.9 | 177.6 | -61.9 | 173.8 | 0 | 0 | 0 | 111 | G80 L81 A82 V86 P87 V88 L145 | G80-I84 WeakPolarHBondContact O-CG1 3.32Å; G80-I84 PolarHBondContact O-N 3.17Å; L81-I84 PolarHBondContact O-N 3.39Å; A82-I84 VanDerWaalsContact C-N 3.33Å; A82-I84 PolarHBondContact O-N 3.44Å; I84-V86 PolarHBondContact O-N 3.3Å; I84-P87 VanDerWaalsContact O-CD 3.27Å; I84-P87 WeakPolarHBondContact O-CD 3.38Å; I84-P87 WeakPolarHBondContact O-CG 3.45Å; I84-V88 HydrophobicContact CG2-CG2 4.13Å; I84-V88 WeakPolarHBondContact O-CB 3.46Å; I84-V88 VanDerWaalsContact O-CG2 3.28Å; I84-V88 WeakPolarHBondContact O-CG2 3.26Å; I84-V88 PolarHBondContact O-N 2.86Å; I84-L145 HydrophobicContact CB-CD2 4.45Å; I84-L145 HydrophobicContact CD1-CD2 4Å; I84-L145 HydrophobicContact CG1-CD2 3.77Å; I84-L145 HydrophobicContact CG2-CD2 3.99Å |
| 85 | Q | 51.3 | Low | 51.5 | Low | 125 Ų | 125 | 89.6 Ų | 89.6 | 58% | 0.584 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.1 | -35.6 | -177.6 | -170.3 | 167.2 | 7.5 | 0 | 0 | 112.5 | L81 A82 W89 | L81-Q85 VanDerWaalsContact O-CB 3.25Å; L81-Q85 WeakPolarHBondContact O-CB 3.22Å; L81-Q85 PolarHBondContact O-N 2.9Å; A82-Q85 PolarHBondContact O-N 2.95Å; Q85-W89 WeakPolarHBondContact O-CB 3.42Å; Q85-W89 PolarHBondContact O-N 3.4Å |
| 86 | V | 51.9 | Low | 51.9 | Low | 91 Ų | 91 | 90 Ų | 90 | 55% | 0.552 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -53.1 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 112.8 | A82 I84 W89 L90 | A82-V86 WeakPolarHBondContact O-CG2 3.27Å; A82-V86 PolarHBondContact O-N 3.37Å; I84-V86 PolarHBondContact O-N 3.3Å; V86-W89 PolarHBondContact O-N 2.89Å; V86-L90 HydrophobicContact CG1-CD1 4Å; V86-L90 WeakPolarHBondContact O-CB 3.42Å; V86-L90 PolarHBondContact O-N 3.44Å |
| 87 | P | 48.4 | Very low | 52.1 | Low | 44 Ų | 44 | 92.3 Ų | 92.3 | 29% | 0.286 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 177.6 | 21 | -29.6 | 0 | 0 | 0 | 112.6 | L83 I84 W89 L90 V91 | L83-P87 WeakPolarHBondContact O-CD 3.35Å; L83-P87 VanDerWaalsContact O-CG 3.28Å; L83-P87 WeakPolarHBondContact O-CG 3.37Å; I84-P87 VanDerWaalsContact O-CD 3.27Å; I84-P87 WeakPolarHBondContact O-CD 3.38Å; I84-P87 WeakPolarHBondContact O-CG 3.45Å; P87-W89 VanDerWaalsContact C-N 3.35Å; P87-W89 PolarHBondContact O-N 3.1Å; P87-L90 PolarHBondContact O-N 3Å; P87-V91 WeakPolarHBondContact O-CB 3.5Å; P87-V91 VanDerWaalsContact O-CG2 3.24Å; P87-V91 WeakPolarHBondContact O-CG2 3.26Å; P87-V91 PolarHBondContact O-N 3.48Å |
| 88 | V | 56.9 | Low | 52.4 | Low | 45 Ų | 45 | 94.3 Ų | 94.3 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 175.5 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | I84 V91 L92 | I84-V88 HydrophobicContact CG2-CG2 4.13Å; I84-V88 WeakPolarHBondContact O-CB 3.46Å; I84-V88 VanDerWaalsContact O-CG2 3.28Å; I84-V88 WeakPolarHBondContact O-CG2 3.26Å; I84-V88 PolarHBondContact O-N 2.86Å; V88-V91 PolarHBondContact O-N 3.31Å; V88-L92 WeakPolarHBondContact O-CB 3.48Å; V88-L92 PolarHBondContact O-N 3.36Å |
| 89 | W | 60.4 | Low | 52.2 | Low | 156 Ų | 156 | 93.1 Ų | 93.1 | 59% | 0.591 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.5 | -45.5 | 175 | -176 | -95.8 | 0 | 0 | 0 | 111.9 | Q85 V86 P87 V91 L92 Q93 | Q85-W89 WeakPolarHBondContact O-CB 3.42Å; Q85-W89 PolarHBondContact O-N 3.4Å; V86-W89 PolarHBondContact O-N 2.89Å; P87-W89 VanDerWaalsContact C-N 3.35Å; P87-W89 PolarHBondContact O-N 3.1Å; W89-V91 PolarHBondContact O-N 2.84Å; W89-L92 PolarHBondContact O-N 2.74Å; W89-Q93 HydrophobicContact CD2-CG 3.94Å; W89-Q93 HydrophobicContact CE3-CG 4.47Å; W89-Q93 HydrophobicContact CG-CG 4.26Å; W89-Q93 HydrophobicContact CZ2-CG 4.14Å; W89-Q93 WeakPolarHBondContact O-CB 3.32Å; W89-Q93 WeakPolarHBondContact O-CG 3.27Å; W89-Q93 PolarHBondContact O-N 3.47Å |
| 90 | L | 53.9 | Low | 52.2 | Low | 113 Ų | 113 | 93.1 Ų | 93.1 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.2 | -43.4 | 175.8 | -91.4 | 154.6 | 0 | 0 | 0 | 112.4 | V86 P87 G94 | V86-L90 HydrophobicContact CG1-CD1 4Å; V86-L90 WeakPolarHBondContact O-CB 3.42Å; V86-L90 PolarHBondContact O-N 3.44Å; P87-L90 PolarHBondContact O-N 3Å; L90-G94 WeakPolarHBondContact O-CA 3.27Å; L90-G94 PolarHBondContact O-N 2.89Å |
| 91 | V | 57.3 | Low | 52.2 | Low | 95 Ų | 95 | 93.5 Ų | 93.5 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.4 | -36.1 | 178.4 | 171 | 0 | 0 | 0 | 0 | 111.9 | P87 V88 W89 P95 | P87-V91 WeakPolarHBondContact O-CB 3.5Å; P87-V91 VanDerWaalsContact O-CG2 3.24Å; P87-V91 WeakPolarHBondContact O-CG2 3.26Å; P87-V91 PolarHBondContact O-N 3.48Å; V88-V91 PolarHBondContact O-N 3.31Å; W89-V91 PolarHBondContact O-N 2.84Å; V91-P95 WeakPolarHBondContact O-CD 3.47Å; V91-P95 WeakPolarHBondContact O-CG 3.29Å |
| 92 | L | 54.3 | Low | 52.1 | Low | 97 Ų | 97 | 96.5 Ų | 96.5 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -81.5 | -33.4 | -179.2 | -136.3 | 80 | 0 | 0 | 0 | 113.2 | V88 W89 | V88-L92 WeakPolarHBondContact O-CB 3.48Å; V88-L92 PolarHBondContact O-N 3.36Å; W89-L92 PolarHBondContact O-N 2.74Å |
| 93 | Q | 53.6 | Low | 51.7 | Low | 65 Ų | 65 | 104.4 Ų | 104.4 | 30% | 0.304 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -92.3 | -30.6 | -177.9 | -70.3 | -116.9 | -4.6 | 0 | 0 | 113.2 | W89 R96 L97 | W89-Q93 HydrophobicContact CD2-CG 3.94Å; W89-Q93 HydrophobicContact CE3-CG 4.47Å; W89-Q93 HydrophobicContact CG-CG 4.26Å; W89-Q93 HydrophobicContact CZ2-CG 4.14Å; W89-Q93 WeakPolarHBondContact O-CB 3.32Å; W89-Q93 WeakPolarHBondContact O-CG 3.27Å; W89-Q93 PolarHBondContact O-N 3.47Å; Q93-R96 PolarHBondContact O-N 2.85Å; Q93-L97 HydrophobicContact CB-CD1 4.04Å; Q93-L97 WeakPolarHBondContact O-CB 3.35Å; Q93-L97 PolarHBondContact O-N 3.35Å |
| 94 | G | 54.1 | Low | 51.8 | Low | 30 Ų | 30 | 102.9 Ų | 102.9 | 31% | 0.309 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -51.8 | -48.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L90 R96 L97 M98 | L90-G94 WeakPolarHBondContact O-CA 3.27Å; L90-G94 PolarHBondContact O-N 2.89Å; G94-R96 PolarHBondContact O-N 3.34Å; G94-L97 PolarHBondContact O-N 3.01Å; G94-M98 WeakPolarHBondContact O-CB 3.5Å; G94-M98 PolarHBondContact O-N 2.88Å |
| 95 | P | 48.1 | Very low | 52.3 | Low | 81 Ų | 81 | 102.6 Ų | 102.6 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 176.3 | -22.1 | 33.3 | 0 | 0 | 0 | 113.3 | V91 W99 | V91-P95 WeakPolarHBondContact O-CD 3.47Å; V91-P95 WeakPolarHBondContact O-CG 3.29Å; P95-W99 VanDerWaalsContact O-CB 3.27Å; P95-W99 WeakPolarHBondContact O-CB 3.29Å; P95-W99 PolarHBondContact O-N 3.16Å |
| 96 | R | 52.6 | Low | 52.2 | Low | 195 Ų | 195 | 99.4 Ų | 99.4 | 74% | 0.736 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -75 | -36.1 | 179.8 | -76.8 | -176.4 | 166.3 | -165.3 | -4.9 | 112.8 | Q93 G94 W99 A100 | Q93-R96 PolarHBondContact O-N 2.85Å; G94-R96 PolarHBondContact O-N 3.34Å; R96-W99 PolarHBondContact O-N 3.07Å; R96-A100 WeakPolarHBondContact O-CB 3.34Å; R96-A100 PolarHBondContact O-N 2.84Å |
| 97 | L | 51.4 | Low | 52.2 | Low | 111 Ų | 111 | 106.1 Ų | 106.1 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.1 | -40.9 | 174.6 | -81.9 | 155.2 | 0 | 0 | 0 | 111.2 | Q93 G94 A100 G101 | Q93-L97 HydrophobicContact CB-CD1 4.04Å; Q93-L97 WeakPolarHBondContact O-CB 3.35Å; Q93-L97 PolarHBondContact O-N 3.35Å; G94-L97 PolarHBondContact O-N 3.01Å; L97-A100 PolarHBondContact O-N 3.23Å; L97-G101 PolarHBondContact O-N 3.45Å |
| 98 | M | 50.9 | Low | 52.3 | Low | 146 Ų | 146 | 108 Ų | 108 | 72% | 0.719 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.3 | -43.6 | 170.5 | -83.6 | 177.7 | 67.1 | 0 | 0 | 111.8 | G94 G101 M102 | G94-M98 WeakPolarHBondContact O-CB 3.5Å; G94-M98 PolarHBondContact O-N 2.88Å; M98-G101 PolarHBondContact O-N 2.93Å; M98-M102 VanDerWaalsContact O-CB 3.27Å; M98-M102 WeakPolarHBondContact O-CB 3.4Å; M98-M102 PolarHBondContact O-N 3.46Å |
| 99 | W | 45.6 | Very low | 51.9 | Low | 172 Ų | 172 | 111.1 Ų | 111.1 | 65% | 0.652 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65 | -40.2 | 178.3 | -170.1 | -100.1 | 0 | 0 | 0 | 112.8 | P95 R96 M102 W103 | P95-W99 VanDerWaalsContact O-CB 3.27Å; P95-W99 WeakPolarHBondContact O-CB 3.29Å; P95-W99 PolarHBondContact O-N 3.16Å; R96-W99 PolarHBondContact O-N 3.07Å; W99-M102 HydrophobicContact CE3-CE 4.08Å; W99-M102 HydrophobicContact CZ3-CE 4.23Å; W99-M102 PolarHBondContact O-N 2.99Å; W99-W103 PolarHBondContact O-N 2.83Å |
| 100 | A | 48.8 | Very low | 51.6 | Low | 59 Ų | 59 | 105.4 Ų | 105.4 | 49% | 0.488 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.2 | -34 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | R96 L97 S104 | R96-A100 WeakPolarHBondContact O-CB 3.34Å; R96-A100 PolarHBondContact O-N 2.84Å; L97-A100 PolarHBondContact O-N 3.23Å; A100-S104 PolarHBondContact O-OG 3.33Å |
| 101 | G | 49.3 | Very low | 51.5 | Low | 40 Ų | 40 | 105.8 Ų | 105.8 | 41% | 0.412 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.5 | -28.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | L97 M98 | L97-G101 PolarHBondContact O-N 3.45Å; M98-G101 PolarHBondContact O-N 2.93Å |
| 102 | M | 48.3 | Very low | 51.3 | Low | 117 Ų | 117 | 103.9 Ų | 103.9 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -75.8 | -24.9 | 179.7 | -169.3 | 146.2 | 64.4 | 0 | 0 | 113.3 | M98 W99 | M98-M102 VanDerWaalsContact O-CB 3.27Å; M98-M102 WeakPolarHBondContact O-CB 3.4Å; M98-M102 PolarHBondContact O-N 3.46Å; W99-M102 HydrophobicContact CE3-CE 4.08Å; W99-M102 HydrophobicContact CZ3-CE 4.23Å; W99-M102 PolarHBondContact O-N 2.99Å |
| 103 | W | 48.7 | Very low | 51.2 | Low | 218 Ų | 218 | 104.2 Ų | 104.2 | 83% | 0.826 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -95.2 | -19.6 | -178.5 | -148.2 | -96 | 0 | 0 | 0 | 114.4 | W99 | W99-W103 PolarHBondContact O-N 2.83Å |
| 104 | S | 51.3 | Low | 51 | Low | 101 Ų | 101 | 106.4 Ų | 106.4 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -97.1 | -3.4 | -169.7 | 53.7 | 0 | 0 | 0 | 0 | 115.8 | A100 | A100-S104 PolarHBondContact O-OG 3.33Å |
| 105 | G | 60.9 | Low | 50.9 | Low | 53 Ų | 53 | 107.8 Ų | 107.8 | 55% | 0.546 | 58% | 0.584 | S | S | . | * | S | Bend | trans | 159.2 | 83 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 106 | T | 49.4 | Very low | 51 | Low | 58 Ų | 58 | 106.1 Ų | 106.1 | 36% | 0.356 | 58% | 0.577 | S | S | . | * | trans | -153.1 | 41.4 | 177.3 | 50.4 | 0 | 0 | 0 | 0 | 114.4 | L109 G110 | T106-L109 HydrophobicContact CG2-CB 3.65Å; T106-G110 PolarHBondContact O-N 2.88Å; T106-G110 VanDerWaalsContact O-N 3.14Å | ||
| 107 | R | 52.2 | Low | 50.7 | Low | 233 Ų | 233 | 104.1 Ų | 104.1 | 88% | 0.879 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.9 | -37.6 | 157.9 | -79.5 | -171.7 | -171.6 | 180 | 3.3 | 111.4 | L111 | R107-L111 WeakPolarHBondContact O-CD1 3.35Å; R107-L111 WeakPolarHBondContact O-CG 3.38Å; R107-L111 PolarHBondContact O-N 3.03Å |
| 108 | A | 49.9 | Very low | 50.5 | Low | 82 Ų | 82 | 107 Ų | 107 | 68% | 0.678 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -78.5 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A112 | A108-A112 WeakPolarHBondContact O-CB 3.4Å; A108-A112 PolarHBondContact O-N 3.48Å |
| 109 | L | 49 | Very low | 50.3 | Low | 112 Ų | 112 | 108 Ų | 108 | 59% | 0.586 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73.5 | -33.3 | 179.2 | -124.8 | 133.9 | 0 | 0 | 0 | 112.3 | T106 A112 L113 | T106-L109 HydrophobicContact CG2-CB 3.65Å; L109-A112 PolarHBondContact O-N 3.37Å; L109-L113 VanDerWaalsContact O-CB 3.32Å; L109-L113 WeakPolarHBondContact O-CB 3.3Å; L109-L113 PolarHBondContact O-N 2.64Å |
| 110 | G | 54 | Low | 50.3 | Low | 36 Ų | 36 | 105.7 Ų | 105.7 | 37% | 0.371 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.8 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T106 L114 | T106-G110 PolarHBondContact O-N 2.88Å; T106-G110 VanDerWaalsContact O-N 3.14Å; G110-L114 WeakPolarHBondContact O-CB 3.43Å; G110-L114 PolarHBondContact O-N 3.2Å |
| 111 | L | 51 | Low | 50.2 | Low | 120 Ų | 120 | 106.2 Ų | 106.2 | 63% | 0.628 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73 | -37 | 175.5 | -70.6 | 171.7 | 0 | 0 | 0 | 112.6 | R107 L113 L114 S115 | R107-L111 WeakPolarHBondContact O-CD1 3.35Å; R107-L111 WeakPolarHBondContact O-CG 3.38Å; R107-L111 PolarHBondContact O-N 3.03Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L111-L114 PolarHBondContact O-N 2.92Å; L111-S115 PolarHBondContact O-N 2.86Å; L111-S115 PolarHBondContact O-OG 2.91Å |
| 112 | A | 53.9 | Low | 50.1 | Low | 55 Ų | 55 | 108.1 Ų | 108.1 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68 | -33 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | A108 L109 S115 A116 | A108-A112 WeakPolarHBondContact O-CB 3.4Å; A108-A112 PolarHBondContact O-N 3.48Å; L109-A112 PolarHBondContact O-N 3.37Å; A112-S115 PolarHBondContact O-OG 3.31Å; A112-S115 VanDerWaalsContact O-OG 3.09Å; A112-A116 WeakPolarHBondContact O-CB 3.22Å; A112-A116 PolarHBondContact O-N 2.96Å; A112-A116 VanDerWaalsContact O-N 3.1Å |
| 113 | L | 51.3 | Low | 50.3 | Low | 105 Ų | 105 | 105.6 Ų | 105.6 | 55% | 0.55 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74 | -34.2 | 174.3 | -148.5 | 79.3 | 0 | 0 | 0 | 111.3 | L109 L111 W117 | L109-L113 VanDerWaalsContact O-CB 3.32Å; L109-L113 WeakPolarHBondContact O-CB 3.3Å; L109-L113 PolarHBondContact O-N 2.64Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L113-W117 VanDerWaalsContact O-CB 3.31Å; L113-W117 WeakPolarHBondContact O-CB 3.4Å; L113-W117 PolarHBondContact O-N 3.29Å |
| 114 | L | 50.7 | Low | 50.4 | Low | 111 Ų | 111 | 100.9 Ų | 100.9 | 58% | 0.581 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.9 | -39.2 | 176.1 | -149.5 | 83.3 | 0 | 0 | 0 | 111.9 | G110 L111 W117 E118 | G110-L114 WeakPolarHBondContact O-CB 3.43Å; G110-L114 PolarHBondContact O-N 3.2Å; L111-L114 PolarHBondContact O-N 2.92Å; L114-W117 WeakPolarHBondContact O-CB 3.46Å; L114-W117 PolarHBondContact O-N 3.22Å; L114-E118 PolarHBondContact O-N 3.36Å |
| 115 | S | 51.5 | Low | 50.4 | Low | 59 Ų | 59 | 98.4 Ų | 98.4 | 41% | 0.413 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.1 | -35.6 | 175.2 | 65 | 0 | 0 | 0 | 0 | 112.4 | L111 A112 W117 E118 Q119 | L111-S115 PolarHBondContact O-N 2.86Å; L111-S115 PolarHBondContact O-OG 2.91Å; A112-S115 PolarHBondContact O-OG 3.31Å; A112-S115 VanDerWaalsContact O-OG 3.09Å; S115-W117 VanDerWaalsContact C-N 3.26Å; S115-W117 PolarHBondContact O-N 2.92Å; S115-E118 PolarHBondContact O-N 3.49Å; S115-Q119 PolarHBondContact O-N 2.89Å |
| 116 | A | 50.1 | Low | 49.9 | Very low | 45 Ų | 45 | 100.4 Ų | 100.4 | 37% | 0.372 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.8 | -29.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A112 Q119 L120 | A112-A116 WeakPolarHBondContact O-CB 3.22Å; A112-A116 PolarHBondContact O-N 2.96Å; A112-A116 VanDerWaalsContact O-N 3.1Å; A116-Q119 PolarHBondContact O-N 2.91Å; A116-L120 WeakPolarHBondContact O-CB 3.2Å; A116-L120 PolarHBondContact O-N 3.46Å |
| 117 | W | 47.1 | Very low | 49.6 | Very low | 154 Ų | 154 | 102.4 Ų | 102.4 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.3 | -39.3 | 177.1 | -155.7 | -70.1 | 0 | 0 | 0 | 112.6 | L113 L114 S115 W127 | L113-W117 VanDerWaalsContact O-CB 3.31Å; L113-W117 WeakPolarHBondContact O-CB 3.4Å; L113-W117 PolarHBondContact O-N 3.29Å; L114-W117 WeakPolarHBondContact O-CB 3.46Å; L114-W117 PolarHBondContact O-N 3.22Å; S115-W117 VanDerWaalsContact C-N 3.26Å; S115-W117 PolarHBondContact O-N 2.92Å; W117-W127 HydrophobicContact CH2-CH2 4.36Å; W117-W127 HydrophobicContact CH2-CZ2 4.07Å; W117-W127 HydrophobicContact CZ2-CZ2 4.36Å |
| 118 | E | 46.2 | Very low | 49.5 | Very low | 172 Ų | 172 | 95 Ų | 95 | 80% | 0.804 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.5 | -33.8 | 173.6 | -80.9 | -178.8 | 146.2 | 0 | 0 | 112.2 | L114 S115 | L114-E118 PolarHBondContact O-N 3.36Å; S115-E118 PolarHBondContact O-N 3.49Å |
| 119 | Q | 47.9 | Very low | 49.5 | Very low | 167 Ų | 167 | 95.9 Ų | 95.9 | 78% | 0.78 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -77.1 | -24.6 | 179.4 | -79.7 | 178 | -38.6 | 0 | 0 | 114.2 | S115 A116 G121 | S115-Q119 PolarHBondContact O-N 2.89Å; A116-Q119 PolarHBondContact O-N 2.91Å; Q119-G121 VanDerWaalsContact C-N 3.32Å; Q119-G121 PolarHBondContact O-N 2.83Å |
| 120 | L | 45.1 | Very low | 49.6 | Very low | 122 Ų | 122 | 96 Ų | 96 | 64% | 0.639 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -9.7 | -172.4 | -142.3 | 66.1 | 0 | 0 | 0 | 114.1 | A116 L122 | A116-L120 WeakPolarHBondContact O-CB 3.2Å; A116-L120 PolarHBondContact O-N 3.46Å; L120-L122 HydrophobicContact CB-CD1 4.45Å; L120-L122 HydrophobicContact CD2-CD1 3.48Å; L120-L122 VanDerWaalsContact CD2-CD1 3.48Å; L120-L122 HydrophobicContact CD2-CG 4.38Å; L120-L122 HydrophobicContact CG-CD1 3.89Å; L120-L122 HydrophobicContact CG-CG 4.26Å; L120-L122 PolarHBondContact O-N 3.5Å |
| 121 | G | 47 | Very low | 49.4 | Very low | 70 Ų | 70 | 100.4 Ų | 100.4 | 72% | 0.722 | 55% | 0.551 | S | S | * | * | trans | 51.5 | 20.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q119 S123 | Q119-G121 VanDerWaalsContact C-N 3.32Å; Q119-G121 PolarHBondContact O-N 2.83Å; G121-S123 PolarHBondContact O-N 3.04Å | ||
| 122 | L | 47.1 | Very low | 49.6 | Very low | 81 Ų | 81 | 99.3 Ų | 99.3 | 42% | 0.424 | 55% | 0.545 | S | S | . | . | trans | -78.2 | 101.9 | -175.3 | -80.8 | 167.6 | 0 | 0 | 0 | 107.6 | L120 V124 I126 | L120-L122 HydrophobicContact CB-CD1 4.45Å; L120-L122 HydrophobicContact CD2-CD1 3.48Å; L120-L122 VanDerWaalsContact CD2-CD1 3.48Å; L120-L122 HydrophobicContact CD2-CG 4.38Å; L120-L122 HydrophobicContact CG-CD1 3.89Å; L120-L122 HydrophobicContact CG-CG 4.26Å; L120-L122 PolarHBondContact O-N 3.5Å; L122-V124 PolarHBondContact O-N 2.9Å; L122-I126 HydrophobicContact CD2-CD1 3.9Å; L122-I126 HydrophobicContact CD2-CG2 4.36Å | ||
| 123 | S | 51.9 | Low | 49.4 | Very low | 63 Ų | 63 | 100.6 Ų | 100.6 | 44% | 0.441 | 55% | 0.55 | S | S | . | * | trans | -36.6 | 132.2 | 172 | 164.4 | 0 | 0 | 0 | 0 | 111.5 | G121 A125 I126 | G121-S123 PolarHBondContact O-N 3.04Å; S123-A125 PolarHBondContact O-N 2.81Å; S123-A125 WeakPolarHBondContact OG-CB 3.43Å; S123-A125 PolarHBondContact OG-N 3.48Å; S123-I126 PolarHBondContact O-N 2.84Å | ||
| 124 | V | 51.5 | Low | 49.2 | Very low | 120 Ų | 120 | 99.1 Ų | 99.1 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -45.7 | -31.8 | 173.9 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | L122 W127 T128 | L122-V124 PolarHBondContact O-N 2.9Å; V124-W127 PolarHBondContact O-N 3.49Å; V124-T128 HydrophobicContact CG1-CG2 4.34Å; V124-T128 WeakPolarHBondContact O-CG2 3.03Å; V124-T128 PolarHBondContact O-N 3.49Å; V124-T128 PolarHBondContact O-OG1 2.85Å |
| 125 | A | 49.9 | Very low | 49.4 | Very low | 49 Ų | 49 | 98.6 Ų | 98.6 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S123 W127 T128 D129 | S123-A125 PolarHBondContact O-N 2.81Å; S123-A125 WeakPolarHBondContact OG-CB 3.43Å; S123-A125 PolarHBondContact OG-N 3.48Å; A125-W127 VanDerWaalsContact C-N 3.34Å; A125-T128 VanDerWaalsContact CA-OG1 3.28Å; A125-T128 WeakPolarHBondContact CA-OG1 3.37Å; A125-T128 PolarHBondContact O-N 2.68Å; A125-T128 PolarHBondContact O-OG1 3.39Å; A125-D129 WeakPolarHBondContact O-CB 3.47Å; A125-D129 PolarHBondContact O-N 2.88Å |
| 126 | I | 51.6 | Low | 49.5 | Very low | 95 Ų | 95 | 101.4 Ų | 101.4 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.8 | -37.7 | -178.6 | -59.3 | 170.4 | 0 | 0 | 0 | 109.9 | L122 S123 L130 | L122-I126 HydrophobicContact CD2-CD1 3.9Å; L122-I126 HydrophobicContact CD2-CG2 4.36Å; S123-I126 PolarHBondContact O-N 2.84Å; I126-L130 WeakPolarHBondContact O-CB 3.39Å; I126-L130 PolarHBondContact O-N 3.36Å |
| 127 | W | 43.4 | Very low | 49.8 | Very low | 100 Ų | 100 | 100.9 Ų | 100.9 | 38% | 0.379 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.1 | -40.9 | 174.7 | -94 | 99.6 | 0 | 0 | 0 | 112.5 | W117 V124 A125 D129 L130 F131 | W117-W127 HydrophobicContact CH2-CH2 4.36Å; W117-W127 HydrophobicContact CH2-CZ2 4.07Å; W117-W127 HydrophobicContact CZ2-CZ2 4.36Å; V124-W127 PolarHBondContact O-N 3.49Å; A125-W127 VanDerWaalsContact C-N 3.34Å; W127-D129 VanDerWaalsContact C-N 3.32Å; W127-D129 PolarHBondContact O-N 3.34Å; W127-L130 PolarHBondContact O-N 3Å; W127-F131 AromaticContact CE3-CD2 3.9Å; W127-F131 HydrophobicContact CE3-CD2 3.9Å; W127-F131 AromaticContact CE3-CE2 3.72Å; W127-F131 HydrophobicContact CE3-CE2 3.72Å; W127-F131 HydrophobicContact CZ3-CD2 4.38Å; W127-F131 AromaticContact CZ3-CE2 3.85Å; W127-F131 HydrophobicContact CZ3-CE2 3.85Å; W127-F131 WeakPolarHBondContact O-CB 3.29Å; W127-F131 WeakPolarHBondContact O-CD2 3.31Å; W127-F131 PolarHBondContact O-N 3.36Å |
| 128 | T | 49 | Very low | 50.1 | Low | 77 Ų | 77 | 98.1 Ų | 98.1 | 47% | 0.472 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 175.3 | 50.9 | 0 | 0 | 0 | 0 | 111.7 | V124 A125 F131 L132 | V124-T128 HydrophobicContact CG1-CG2 4.34Å; V124-T128 WeakPolarHBondContact O-CG2 3.03Å; V124-T128 PolarHBondContact O-N 3.49Å; V124-T128 PolarHBondContact O-OG1 2.85Å; A125-T128 VanDerWaalsContact CA-OG1 3.28Å; A125-T128 WeakPolarHBondContact CA-OG1 3.37Å; A125-T128 PolarHBondContact O-N 2.68Å; A125-T128 PolarHBondContact O-OG1 3.39Å; T128-F131 PolarHBondContact O-N 3.47Å; T128-L132 VanDerWaalsContact O-CB 3.24Å; T128-L132 WeakPolarHBondContact O-CB 3.37Å; T128-L132 PolarHBondContact O-N 2.91Å |
| 129 | D | 50.8 | Low | 50.8 | Low | 100 Ų | 100 | 96.4 Ų | 96.4 | 54% | 0.535 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.1 | -36 | 177.4 | -78 | -8.2 | 0 | 0 | 0 | 112.3 | A125 W127 L132 S133 | A125-D129 WeakPolarHBondContact O-CB 3.47Å; A125-D129 PolarHBondContact O-N 2.88Å; W127-D129 VanDerWaalsContact C-N 3.32Å; W127-D129 PolarHBondContact O-N 3.34Å; D129-L132 PolarHBondContact O-N 3.43Å; D129-S133 VanDerWaalsContact O-CB 3.26Å; D129-S133 WeakPolarHBondContact O-CB 3.41Å; D129-S133 PolarHBondContact O-N 2.9Å; D129-S133 PolarHBondContact O-OG 3.05Å |
| 130 | L | 50.3 | Low | 51.1 | Low | 114 Ų | 114 | 93.6 Ų | 93.6 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.4 | -42.3 | 174.4 | -161.6 | 75.8 | 0 | 0 | 0 | 111.5 | I126 W127 S133 C134 | I126-L130 WeakPolarHBondContact O-CB 3.39Å; I126-L130 PolarHBondContact O-N 3.36Å; W127-L130 PolarHBondContact O-N 3Å; L130-S133 PolarHBondContact O-N 2.99Å; L130-C134 VanDerWaalsContact O-CB 3.26Å; L130-C134 WeakPolarHBondContact O-CB 3.38Å; L130-C134 PolarHBondContact O-N 2.84Å |
| 131 | F | 50.3 | Low | 51.7 | Low | 130 Ų | 130 | 91 Ų | 91 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 173.2 | -101.2 | -79.9 | 0 | 0 | 0 | 111.7 | W127 T128 C134 L135 | W127-F131 AromaticContact CE3-CD2 3.9Å; W127-F131 HydrophobicContact CE3-CD2 3.9Å; W127-F131 AromaticContact CE3-CE2 3.72Å; W127-F131 HydrophobicContact CE3-CE2 3.72Å; W127-F131 HydrophobicContact CZ3-CD2 4.38Å; W127-F131 AromaticContact CZ3-CE2 3.85Å; W127-F131 HydrophobicContact CZ3-CE2 3.85Å; W127-F131 WeakPolarHBondContact O-CB 3.29Å; W127-F131 WeakPolarHBondContact O-CD2 3.31Å; W127-F131 PolarHBondContact O-N 3.36Å; T128-F131 PolarHBondContact O-N 3.47Å; F131-C134 WeakPolarHBondContact O-CB 3.35Å; F131-C134 PolarHBondContact O-N 2.93Å; F131-L135 WeakPolarHBondContact O-CG 3.36Å; F131-L135 PolarHBondContact O-N 3.27Å |
| 132 | L | 54 | Low | 52.3 | Low | 97 Ų | 97 | 89.9 Ų | 89.9 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 179.5 | -161.9 | 73.4 | 0 | 0 | 0 | 111.3 | T128 D129 C134 L135 H136 | T128-L132 VanDerWaalsContact O-CB 3.24Å; T128-L132 WeakPolarHBondContact O-CB 3.37Å; T128-L132 PolarHBondContact O-N 2.91Å; D129-L132 PolarHBondContact O-N 3.43Å; L132-C134 VanDerWaalsContact C-N 3.35Å; L132-L135 PolarHBondContact O-N 3.39Å; L132-H136 WeakPolarHBondContact O-CB 3.44Å; L132-H136 PolarHBondContact O-N 3.29Å; L132-H136 PolarHBondContact O-ND1 3.36Å |
| 133 | S | 51.3 | Low | 52.6 | Low | 81 Ų | 81 | 91 Ų | 91 | 57% | 0.566 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -38.5 | 173.6 | -67.7 | 0 | 0 | 0 | 0 | 112 | D129 L130 H136 G137 | D129-S133 VanDerWaalsContact O-CB 3.26Å; D129-S133 WeakPolarHBondContact O-CB 3.41Å; D129-S133 PolarHBondContact O-N 2.9Å; D129-S133 PolarHBondContact O-OG 3.05Å; L130-S133 PolarHBondContact O-N 2.99Å; S133-H136 PolarHBondContact O-N 3.42Å; S133-G137 PolarHBondContact O-N 2.89Å |
| 134 | C | 45.9 | Very low | 52.6 | Low | 75 Ų | 75 | 92.7 Ų | 92.7 | 51% | 0.507 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | L130 F131 L132 H136 G137 L138 | L130-C134 VanDerWaalsContact O-CB 3.26Å; L130-C134 WeakPolarHBondContact O-CB 3.38Å; L130-C134 PolarHBondContact O-N 2.84Å; F131-C134 WeakPolarHBondContact O-CB 3.35Å; F131-C134 PolarHBondContact O-N 2.93Å; L132-C134 VanDerWaalsContact C-N 3.35Å; C134-H136 PolarHBondContact O-N 3.24Å; C134-G137 PolarHBondContact O-N 3.49Å; C134-L138 WeakPolarHBondContact O-CG 3.25Å; C134-L138 PolarHBondContact O-N 3.36Å |
| 135 | L | 55.4 | Low | 52.9 | Low | 99 Ų | 99 | 89.7 Ų | 89.7 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 175.1 | -73.2 | 172.2 | 0 | 0 | 0 | 112.1 | F131 L132 G137 L138 M139 | F131-L135 WeakPolarHBondContact O-CG 3.36Å; F131-L135 PolarHBondContact O-N 3.27Å; L132-L135 PolarHBondContact O-N 3.39Å; L135-G137 VanDerWaalsContact C-N 3.34Å; L135-L138 PolarHBondContact O-N 3.37Å; L135-M139 WeakPolarHBondContact O-CB 3.25Å; L135-M139 VanDerWaalsContact O-CG 3.3Å; L135-M139 WeakPolarHBondContact O-CG 3.4Å; L135-M139 PolarHBondContact O-N 2.9Å |
| 136 | H | 53.6 | Low | 53.4 | Low | 119 Ų | 119 | 91.8 Ų | 91.8 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 173.6 | -83.6 | 79.1 | 0 | 0 | 0 | 111.8 | L132 S133 C134 M139 L140 | L132-H136 WeakPolarHBondContact O-CB 3.44Å; L132-H136 PolarHBondContact O-N 3.29Å; L132-H136 PolarHBondContact O-ND1 3.36Å; S133-H136 PolarHBondContact O-N 3.42Å; C134-H136 PolarHBondContact O-N 3.24Å; H136-M139 PolarHBondContact O-N 3.3Å; H136-L140 WeakPolarHBondContact O-CB 3.31Å; H136-L140 PolarHBondContact O-N 2.86Å |
| 137 | G | 56.5 | Low | 53.6 | Low | 34 Ų | 34 | 91 Ų | 91 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S133 C134 L135 L140 V141 | S133-G137 PolarHBondContact O-N 2.89Å; C134-G137 PolarHBondContact O-N 3.49Å; L135-G137 VanDerWaalsContact C-N 3.34Å; G137-L140 WeakPolarHBondContact O-CB 3.43Å; G137-L140 PolarHBondContact O-N 2.86Å; G137-V141 WeakPolarHBondContact O-CG2 3.42Å; G137-V141 PolarHBondContact O-N 2.96Å |
| 138 | L | 54.4 | Low | 54.1 | Low | 95 Ų | 95 | 89.8 Ų | 89.8 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 176.9 | -72.4 | 171.3 | 0 | 0 | 0 | 112.4 | C134 L135 L140 V141 A142 | C134-L138 WeakPolarHBondContact O-CG 3.25Å; C134-L138 PolarHBondContact O-N 3.36Å; L135-L138 PolarHBondContact O-N 3.37Å; L138-L140 VanDerWaalsContact C-N 3.33Å; L138-L140 PolarHBondContact O-N 3.49Å; L138-V141 PolarHBondContact O-N 3.33Å; L138-A142 WeakPolarHBondContact O-CB 3.45Å; L138-A142 PolarHBondContact O-N 3.41Å |
| 139 | M | 59.9 | Low | 54.4 | Low | 137 Ų | 137 | 89.9 Ų | 89.9 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.9 | -41.5 | 173.7 | -76.8 | -71 | -66.6 | 0 | 0 | 111.6 | L135 H136 A142 L143 | L135-M139 WeakPolarHBondContact O-CB 3.25Å; L135-M139 VanDerWaalsContact O-CG 3.3Å; L135-M139 WeakPolarHBondContact O-CG 3.4Å; L135-M139 PolarHBondContact O-N 2.9Å; H136-M139 PolarHBondContact O-N 3.3Å; M139-A142 PolarHBondContact O-N 2.78Å; M139-L143 VanDerWaalsContact O-CB 3.31Å; M139-L143 WeakPolarHBondContact O-CB 3.37Å; M139-L143 PolarHBondContact O-N 2.86Å |
| 140 | L | 53.4 | Low | 54.5 | Low | 107 Ų | 107 | 92.2 Ų | 92.2 | 56% | 0.56 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 174.5 | -106.3 | 151.2 | 0 | 0 | 0 | 112 | H136 G137 L138 L143 L144 | H136-L140 WeakPolarHBondContact O-CB 3.31Å; H136-L140 PolarHBondContact O-N 2.86Å; G137-L140 WeakPolarHBondContact O-CB 3.43Å; G137-L140 PolarHBondContact O-N 2.86Å; L138-L140 VanDerWaalsContact C-N 3.33Å; L138-L140 PolarHBondContact O-N 3.49Å; L140-L143 PolarHBondContact O-N 3.46Å; L140-L144 WeakPolarHBondContact O-CB 2.94Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 3.18Å |
| 141 | V | 57.6 | Low | 54.5 | Low | 67 Ų | 67 | 94.5 Ų | 94.5 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 111 | G137 L138 L144 L145 | G137-V141 WeakPolarHBondContact O-CG2 3.42Å; G137-V141 PolarHBondContact O-N 2.96Å; L138-V141 PolarHBondContact O-N 3.33Å; V141-L144 PolarHBondContact O-N 2.98Å; V141-L145 HydrophobicContact CG1-CD1 4.12Å; V141-L145 WeakPolarHBondContact O-CB 3.27Å; V141-L145 WeakPolarHBondContact O-CG 3.28Å; V141-L145 PolarHBondContact O-N 3.46Å |
| 142 | A | 59.8 | Low | 54.5 | Low | 48 Ų | 48 | 91.3 Ų | 91.3 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L138 M139 L145 V146 | L138-A142 WeakPolarHBondContact O-CB 3.45Å; L138-A142 PolarHBondContact O-N 3.41Å; M139-A142 PolarHBondContact O-N 2.78Å; A142-L145 WeakPolarHBondContact O-CB 3.34Å; A142-L145 PolarHBondContact O-N 3.1Å; A142-V146 WeakPolarHBondContact O-CG2 3.12Å; A142-V146 PolarHBondContact O-N 2.71Å |
| 143 | L | 54.2 | Low | 54.2 | Low | 105 Ų | 105 | 89.7 Ų | 89.7 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 176.8 | -167 | 75.4 | 0 | 0 | 0 | 111.4 | M139 L140 L145 V146 I147 | M139-L143 VanDerWaalsContact O-CB 3.31Å; M139-L143 WeakPolarHBondContact O-CB 3.37Å; M139-L143 PolarHBondContact O-N 2.86Å; L140-L143 PolarHBondContact O-N 3.46Å; L143-L145 PolarHBondContact O-N 3.39Å; L143-V146 PolarHBondContact O-N 2.9Å; L143-I147 HydrophobicContact CD2-CD1 4.4Å; L143-I147 HydrophobicContact CG-CD1 4.05Å; L143-I147 WeakPolarHBondContact O-CB 3.45Å; L143-I147 VanDerWaalsContact O-CG1 3.27Å; L143-I147 WeakPolarHBondContact O-CG1 3.37Å; L143-I147 PolarHBondContact O-N 3.21Å |
| 144 | L | 51.1 | Low | 53.9 | Low | 97 Ų | 97 | 89.5 Ų | 89.5 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 174.6 | -78.3 | 166.9 | 0 | 0 | 0 | 111.6 | L140 V141 V146 I147 V148 | L140-L144 WeakPolarHBondContact O-CB 2.94Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 3.18Å; V141-L144 PolarHBondContact O-N 2.98Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 2.9Å; L144-I147 PolarHBondContact O-N 3.1Å; L144-V148 WeakPolarHBondContact O-CB 3.24Å; L144-V148 VanDerWaalsContact O-CG2 3.23Å; L144-V148 WeakPolarHBondContact O-CG2 3.44Å; L144-V148 PolarHBondContact O-N 2.88Å |
| 145 | L | 57.8 | Low | 53.6 | Low | 57 Ų | 57 | 93.4 Ų | 93.4 | 30% | 0.298 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 174.8 | -78.1 | 164.2 | 0 | 0 | 0 | 111.7 | I84 V141 A142 L143 T149 | I84-L145 HydrophobicContact CB-CD2 4.45Å; I84-L145 HydrophobicContact CD1-CD2 4Å; I84-L145 HydrophobicContact CG1-CD2 3.77Å; I84-L145 HydrophobicContact CG2-CD2 3.99Å; V141-L145 HydrophobicContact CG1-CD1 4.12Å; V141-L145 WeakPolarHBondContact O-CB 3.27Å; V141-L145 WeakPolarHBondContact O-CG 3.28Å; V141-L145 PolarHBondContact O-N 3.46Å; A142-L145 WeakPolarHBondContact O-CB 3.34Å; A142-L145 PolarHBondContact O-N 3.1Å; L143-L145 PolarHBondContact O-N 3.39Å; L145-T149 VanDerWaalsContact O-CB 3.27Å; L145-T149 WeakPolarHBondContact O-CB 3.25Å; L145-T149 PolarHBondContact O-N 3.29Å; L145-T149 PolarHBondContact O-OG1 2.89Å |
| 146 | V | 60.3 | Low | 53.1 | Low | 93 Ų | 93 | 90.8 Ų | 90.8 | 56% | 0.564 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.3 | -45.1 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | A142 L143 L144 T149 W150 | A142-V146 WeakPolarHBondContact O-CG2 3.12Å; A142-V146 PolarHBondContact O-N 2.71Å; L143-V146 PolarHBondContact O-N 2.9Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 2.9Å; V146-T149 PolarHBondContact O-N 2.91Å; V146-W150 WeakPolarHBondContact O-CB 3.3Å; V146-W150 PolarHBondContact O-N 2.67Å |
| 147 | I | 56.1 | Low | 52.5 | Low | 79 Ų | 79 | 92.5 Ų | 92.5 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 178.5 | -68.9 | 166.5 | 0 | 0 | 0 | 111 | L143 L144 W150 R151 | L143-I147 HydrophobicContact CD2-CD1 4.4Å; L143-I147 HydrophobicContact CG-CD1 4.05Å; L143-I147 WeakPolarHBondContact O-CB 3.45Å; L143-I147 VanDerWaalsContact O-CG1 3.27Å; L143-I147 WeakPolarHBondContact O-CG1 3.37Å; L143-I147 PolarHBondContact O-N 3.21Å; L144-I147 PolarHBondContact O-N 3.1Å; I147-W150 PolarHBondContact O-N 2.83Å; I147-R151 HydrophobicContact CG2-CG 4.18Å; I147-R151 VanDerWaalsContact O-CB 3.29Å; I147-R151 WeakPolarHBondContact O-CB 3.48Å; I147-R151 WeakPolarHBondContact O-CG 3.22Å; I147-R151 PolarHBondContact O-N 3.4Å |
| 148 | V | 53.7 | Low | 51.7 | Low | 74 Ų | 74 | 96.2 Ų | 96.2 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 176.8 | 169.6 | 0 | 0 | 0 | 0 | 109.9 | L144 W150 R151 V152 | L144-V148 WeakPolarHBondContact O-CB 3.24Å; L144-V148 VanDerWaalsContact O-CG2 3.23Å; L144-V148 WeakPolarHBondContact O-CG2 3.44Å; L144-V148 PolarHBondContact O-N 2.88Å; V148-W150 VanDerWaalsContact C-N 3.33Å; V148-W150 PolarHBondContact O-N 3.23Å; V148-R151 PolarHBondContact O-N 3.05Å; V148-V152 HydrophobicContact CG1-CG2 4.36Å; V148-V152 WeakPolarHBondContact O-CB 3.2Å; V148-V152 WeakPolarHBondContact O-CG2 3.28Å; V148-V152 PolarHBondContact O-N 3.49Å |
| 149 | T | 55 | Low | 51 | Low | 80 Ų | 80 | 99.1 Ų | 99.1 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 177 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | L145 V146 V152 C153 | L145-T149 VanDerWaalsContact O-CB 3.27Å; L145-T149 WeakPolarHBondContact O-CB 3.25Å; L145-T149 PolarHBondContact O-N 3.29Å; L145-T149 PolarHBondContact O-OG1 2.89Å; V146-T149 PolarHBondContact O-N 2.91Å; T149-V152 PolarHBondContact O-N 3.26Å; T149-C153 WeakPolarHBondContact O-CB 3.35Å; T149-C153 PolarHBondContact O-N 3.3Å; T149-C153 PolarHBondContact O-SG 3.4Å |
| 150 | W | 53.2 | Low | 50.1 | Low | 149 Ų | 149 | 103.6 Ų | 103.6 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.1 | -45.5 | 175.7 | 175.2 | -99.5 | 0 | 0 | 0 | 112.5 | V146 I147 V148 C153 Q154 | V146-W150 WeakPolarHBondContact O-CB 3.3Å; V146-W150 PolarHBondContact O-N 2.67Å; I147-W150 PolarHBondContact O-N 2.83Å; V148-W150 VanDerWaalsContact C-N 3.33Å; V148-W150 PolarHBondContact O-N 3.23Å; W150-C153 CarbonylContact O-C 3.59Å; W150-C153 WeakPolarHBondContact O-CB 3.29Å; W150-C153 PolarHBondContact O-N 2.88Å; W150-Q154 HydrophobicContact CZ2-CG 4.35Å; W150-Q154 VanDerWaalsContact NE1-CD 3.3Å; W150-Q154 VanDerWaalsContact NE1-NE2 3.15Å; W150-Q154 WeakPolarHBondContact O-CB 3.37Å; W150-Q154 WeakPolarHBondContact O-CG 3.38Å; W150-Q154 PolarHBondContact O-N 2.88Å |
| 151 | R | 50.2 | Low | 49.7 | Very low | 162 Ų | 162 | 104.7 Ų | 104.7 | 61% | 0.611 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.6 | -37.5 | 177.3 | -74 | -68.7 | -164.5 | -177.8 | 6 | 111.7 | I147 V148 Q154 K155 | I147-R151 HydrophobicContact CG2-CG 4.18Å; I147-R151 VanDerWaalsContact O-CB 3.29Å; I147-R151 WeakPolarHBondContact O-CB 3.48Å; I147-R151 WeakPolarHBondContact O-CG 3.22Å; I147-R151 PolarHBondContact O-N 3.4Å; V148-R151 PolarHBondContact O-N 3.05Å; R151-Q154 PolarHBondContact O-N 2.86Å; R151-K155 VanDerWaalsContact O-CB 3.26Å; R151-K155 WeakPolarHBondContact O-CB 3.49Å; R151-K155 PolarHBondContact O-N 2.93Å |
| 152 | V | 50.4 | Low | 49 | Very low | 62 Ų | 62 | 106.3 Ų | 106.3 | 38% | 0.376 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 172.9 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | F77 V148 T149 K155 A156 | F77-V152 HydrophobicContact CE1-CG1 4.31Å; F77-V152 HydrophobicContact CZ-CG1 3.78Å; V148-V152 HydrophobicContact CG1-CG2 4.36Å; V148-V152 WeakPolarHBondContact O-CB 3.2Å; V148-V152 WeakPolarHBondContact O-CG2 3.28Å; V148-V152 PolarHBondContact O-N 3.49Å; T149-V152 PolarHBondContact O-N 3.26Å; V152-K155 PolarHBondContact O-N 3.24Å; V152-A156 VanDerWaalsContact O-CB 3.25Å; V152-A156 WeakPolarHBondContact O-CB 3.47Å; V152-A156 PolarHBondContact O-N 2.95Å |
| 153 | C | 49.1 | Very low | 48.3 | Very low | 63 Ų | 63 | 111.6 Ų | 111.6 | 43% | 0.426 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.7 | -43.9 | 174.1 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | T149 W150 A156 H157 | T149-C153 WeakPolarHBondContact O-CB 3.35Å; T149-C153 PolarHBondContact O-N 3.3Å; T149-C153 PolarHBondContact O-SG 3.4Å; W150-C153 CarbonylContact O-C 3.59Å; W150-C153 WeakPolarHBondContact O-CB 3.29Å; W150-C153 PolarHBondContact O-N 2.88Å; C153-A156 CarbonylContact O-C 3.56Å; C153-A156 PolarHBondContact O-N 3.21Å; C153-H157 WeakPolarHBondContact O-CB 3.23Å; C153-H157 PolarHBondContact O-CD2 3.31Å; C153-H157 VanDerWaalsContact O-CD2 3.29Å; C153-H157 PolarHBondContact O-N 2.82Å |
| 154 | Q | 43.8 | Very low | 47.8 | Very low | 77 Ų | 77 | 113.2 Ų | 113.2 | 36% | 0.36 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.5 | -45.9 | 175 | -82.3 | -167.8 | -25.1 | 0 | 0 | 111.7 | W150 R151 A156 H157 C158 | W150-Q154 HydrophobicContact CZ2-CG 4.35Å; W150-Q154 VanDerWaalsContact NE1-CD 3.3Å; W150-Q154 VanDerWaalsContact NE1-NE2 3.15Å; W150-Q154 WeakPolarHBondContact O-CB 3.37Å; W150-Q154 WeakPolarHBondContact O-CG 3.38Å; W150-Q154 PolarHBondContact O-N 2.88Å; R151-Q154 PolarHBondContact O-N 2.86Å; Q154-A156 VanDerWaalsContact C-N 3.27Å; Q154-A156 PolarHBondContact O-N 3.47Å; Q154-H157 CarbonylContact O-C 3.59Å; Q154-H157 WeakPolarHBondContact O-CA 3.37Å; Q154-H157 WeakPolarHBondContact O-CB 3.5Å; Q154-H157 PolarHBondContact O-N 3.39Å; Q154-C158 PolarHBondContact O-N 2.85Å |
| 155 | K | 39.7 | Very low | 47.6 | Very low | 158 Ų | 158 | 113.2 Ų | 113.2 | 69% | 0.687 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.5 | -29.6 | 179.5 | -158.3 | 156.2 | -174.1 | 169.1 | 0 | 111.6 | R151 V152 F159 | R151-K155 VanDerWaalsContact O-CB 3.26Å; R151-K155 WeakPolarHBondContact O-CB 3.49Å; R151-K155 PolarHBondContact O-N 2.93Å; V152-K155 PolarHBondContact O-N 3.24Å; K155-F159 WeakPolarHBondContact O-CD2 3.39Å |
| 156 | A | 45.1 | Very low | 47.2 | Very low | 43 Ų | 43 | 113.9 Ų | 113.9 | 36% | 0.355 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.5 | -26.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V152 C153 Q154 L165 | V152-A156 VanDerWaalsContact O-CB 3.25Å; V152-A156 WeakPolarHBondContact O-CB 3.47Å; V152-A156 PolarHBondContact O-N 2.95Å; C153-A156 CarbonylContact O-C 3.56Å; C153-A156 PolarHBondContact O-N 3.21Å; Q154-A156 VanDerWaalsContact C-N 3.27Å; Q154-A156 PolarHBondContact O-N 3.47Å; A156-L165 HydrophobicContact CB-CD2 4.24Å |
| 157 | H | 41.3 | Very low | 46.4 | Very low | 155 Ų | 155 | 115.3 Ų | 115.3 | 72% | 0.718 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81.9 | -25.3 | 174.9 | -95 | -75.7 | 0 | 0 | 0 | 113.9 | C153 Q154 F159 | C153-H157 WeakPolarHBondContact O-CB 3.23Å; C153-H157 PolarHBondContact O-CD2 3.31Å; C153-H157 VanDerWaalsContact O-CD2 3.29Å; C153-H157 PolarHBondContact O-N 2.82Å; Q154-H157 CarbonylContact O-C 3.59Å; Q154-H157 WeakPolarHBondContact O-CA 3.37Å; Q154-H157 WeakPolarHBondContact O-CB 3.5Å; Q154-H157 PolarHBondContact O-N 3.39Å; H157-F159 CarbonylContact C-O 3.55Å; H157-F159 PolarHBondContact O-N 3.37Å |
| 158 | C | 39.1 | Very low | 45.8 | Very low | 113 Ų | 113 | 114 Ų | 114 | 76% | 0.764 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69 | -24.2 | 171.3 | -71.8 | 0 | 0 | 0 | 0 | 112.5 | Q154 | Q154-C158 PolarHBondContact O-N 2.85Å |
| 159 | F | 40.2 | Very low | 45.6 | Very low | 156 Ų | 156 | 114.3 Ų | 114.3 | 68% | 0.684 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -84.2 | 116.2 | 159.9 | -73.7 | -87.9 | 0 | 0 | 0 | 106.3 | K155 H157 | K155-F159 WeakPolarHBondContact O-CD2 3.39Å; H157-F159 CarbonylContact C-O 3.55Å; H157-F159 PolarHBondContact O-N 3.37Å |
| 160 | R | 40.7 | Very low | 45.2 | Very low | 230 Ų | 230 | 117.2 Ų | 117.2 | 87% | 0.868 | 58% | 0.576 | S | S | * | * | trans | -44.3 | 149.9 | 170.6 | -88.6 | -169.6 | 169.4 | 179.2 | -1.5 | 110.2 | D162 | R160-D162 PolarHBondContact O-N 3.4Š| ||
| 161 | P | 46.2 | Very low | 44.7 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 84% | 0.844 | 59% | 0.589 | S | S | * | * | trans | -70.5 | 74.6 | 179.5 | 32.1 | -34.3 | 0 | 0 | 0 | 108.7 | R163 | P161-R163 PolarHBondContact O-N 3.33Š| ||
| 162 | D | 42.7 | Very low | 44.8 | Very low | 102 Ų | 102 | 114.7 Ų | 114.7 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | trans | -71.7 | 127.1 | 159.9 | -164.2 | 8.1 | 0 | 0 | 0 | 106.3 | R160 Q164 L165 | R160-D162 PolarHBondContact O-N 3.4Å; D162-Q164 PolarHBondContact O-N 3.44Å; D162-L165 PolarHBondContact O-N 3.44Å; D162-L165 VanDerWaalsContact O-N 3.17Å | ||
| 163 | R | 44.7 | Very low | 44.7 | Very low | 158 Ų | 158 | 116.4 Ų | 116.4 | 60% | 0.596 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -8.1 | -172.3 | -158.1 | 172.3 | -176 | -173.1 | 1.5 | 112.6 | P161 K167 | P161-R163 PolarHBondContact O-N 3.33Å; R163-K167 PolarHBondContact O-N 3.22Å |
| 164 | Q | 43.4 | Very low | 44.6 | Very low | 140 Ų | 140 | 117.2 Ų | 117.2 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.2 | -37 | 174.9 | -74 | -174.9 | -15.2 | 0 | 0 | 115 | D162 K167 A168 | D162-Q164 PolarHBondContact O-N 3.44Å; Q164-K167 PolarHBondContact O-N 2.88Å; Q164-A168 WeakPolarHBondContact O-CB 3.25Å; Q164-A168 PolarHBondContact O-N 3.31Å |
| 165 | L | 46.6 | Very low | 44.8 | Very low | 96 Ų | 96 | 116 Ų | 116 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.2 | -40.1 | -178.3 | -159 | 87.5 | 0 | 0 | 0 | 111.3 | A156 D162 A168 L169 | A156-L165 HydrophobicContact CB-CD2 4.24Å; D162-L165 PolarHBondContact O-N 3.44Å; D162-L165 VanDerWaalsContact O-N 3.17Å; L165-A168 PolarHBondContact O-N 2.83Å; L165-L169 HydrophobicContact CD2-CD1 4.15Å; L165-L169 HydrophobicContact CG-CD1 4.12Å; L165-L169 WeakPolarHBondContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CD1 3.47Å; L165-L169 PolarHBondContact O-N 2.81Å |
| 166 | S | 50.6 | Low | 45.3 | Very low | 72 Ų | 72 | 117.7 Ų | 117.7 | 50% | 0.503 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.1 | -43.3 | 173.2 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | Q170 | S166-Q170 WeakPolarHBondContact O-CB 3.44Å; S166-Q170 PolarHBondContact O-N 3.25Å |
| 167 | K | 41.9 | Very low | 45.6 | Very low | 123 Ų | 123 | 123 Ų | 123 | 54% | 0.535 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.5 | -37.5 | 174.1 | -87.9 | -179.3 | 173.7 | 177.7 | 0 | 113.1 | R163 Q164 Q170 M171 | R163-K167 PolarHBondContact O-N 3.22Å; Q164-K167 PolarHBondContact O-N 2.88Å; K167-Q170 PolarHBondContact O-N 3.36Å; K167-M171 WeakPolarHBondContact O-CG 3.42Å; K167-M171 PolarHBondContact O-N 3.4Å |
| 168 | A | 44.7 | Very low | 46 | Very low | 51 Ų | 51 | 119.3 Ų | 119.3 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.6 | -34.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q164 L165 N172 | Q164-A168 WeakPolarHBondContact O-CB 3.25Å; Q164-A168 PolarHBondContact O-N 3.31Å; L165-A168 PolarHBondContact O-N 2.83Å; A168-N172 PolarHBondContact O-N 3.27Å; A168-N172 PolarHBondContact O-ND2 2.81Å |
| 169 | L | 48.5 | Very low | 46.6 | Very low | 80 Ų | 80 | 119 Ų | 119 | 42% | 0.419 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.4 | -36.3 | 169.6 | -84 | 149 | 0 | 0 | 0 | 111.4 | L165 V175 | L165-L169 HydrophobicContact CD2-CD1 4.15Å; L165-L169 HydrophobicContact CG-CD1 4.12Å; L165-L169 WeakPolarHBondContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CD1 3.47Å; L165-L169 PolarHBondContact O-N 2.81Å; L169-V175 HydrophobicContact CB-CG1 4.21Å; L169-V175 HydrophobicContact CD2-CB 4.1Å; L169-V175 HydrophobicContact CD2-CG1 3.32Å; L169-V175 HydrophobicContact CD2-CG2 3.72Å; L169-V175 HydrophobicContact CG-CG1 4.36Å |
| 170 | Q | 47 | Very low | 47.3 | Very low | 142 Ų | 142 | 114.1 Ų | 114.1 | 66% | 0.664 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.2 | -39.3 | 174.4 | -96 | -178.5 | -5.5 | 0 | 0 | 113.6 | S166 K167 N172 | S166-Q170 WeakPolarHBondContact O-CB 3.44Å; S166-Q170 PolarHBondContact O-N 3.25Å; K167-Q170 PolarHBondContact O-N 3.36Å; Q170-N172 VanDerWaalsContact C-N 3.33Å |
| 171 | M | 43.7 | Very low | 47.6 | Very low | 168 Ų | 168 | 108.3 Ų | 108.3 | 83% | 0.828 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74 | -23.9 | 179.2 | -77.1 | -72.9 | 174.6 | 0 | 0 | 112.9 | K167 C173 | K167-M171 WeakPolarHBondContact O-CG 3.42Å; K167-M171 PolarHBondContact O-N 3.4Å; M171-C173 PolarHBondContact O-N 3.3Å; M171-C173 VanDerWaalsContact O-N 3.11Å |
| 172 | N | 50.6 | Low | 47.8 | Very low | 89 Ų | 89 | 107.3 Ų | 107.3 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | trans | -79.1 | 97.3 | 174.9 | -92.1 | -70.3 | 0 | 0 | 0 | 110.8 | A168 Q170 V174 V175 R176 | A168-N172 PolarHBondContact O-N 3.27Å; A168-N172 PolarHBondContact O-ND2 2.81Å; Q170-N172 VanDerWaalsContact C-N 3.33Å; N172-V174 PolarHBondContact O-N 2.83Å; N172-V175 HydrophobicContact CB-CB 4.39Å; N172-V175 HydrophobicContact CB-CG2 3.89Å; N172-V175 PolarHBondContact O-N 2.87Å; N172-R176 PolarHBondContact O-N 3.4Å | ||
| 173 | C | 49.4 | Very low | 48.3 | Very low | 98 Ų | 98 | 111.5 Ų | 111.5 | 66% | 0.662 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -46.1 | -27.7 | 172.3 | -81.6 | 0 | 0 | 0 | 0 | 113.8 | M171 K177 | M171-C173 PolarHBondContact O-N 3.3Å; M171-C173 VanDerWaalsContact O-N 3.11Å; C173-K177 WeakPolarHBondContact O-CB 3.41Å; C173-K177 WeakPolarHBondContact O-CG 3.28Å; C173-K177 PolarHBondContact O-N 2.9Å |
| 174 | V | 47.5 | Very low | 48.7 | Very low | 81 Ų | 81 | 113.1 Ų | 113.1 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.2 | -41.2 | 179.5 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | L81 N172 K177 L178 | L81-V174 HydrophobicContact CD2-CG1 3.73Å; N172-V174 PolarHBondContact O-N 2.83Å; V174-K177 PolarHBondContact O-N 2.68Å; V174-L178 PolarHBondContact O-N 3.37Å |
| 175 | V | 48.1 | Very low | 48.9 | Very low | 51 Ų | 51 | 109.9 Ų | 109.9 | 31% | 0.309 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 178 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | L169 N172 K177 L178 L179 | L169-V175 HydrophobicContact CB-CG1 4.21Å; L169-V175 HydrophobicContact CD2-CB 4.1Å; L169-V175 HydrophobicContact CD2-CG1 3.32Å; L169-V175 HydrophobicContact CD2-CG2 3.72Å; L169-V175 HydrophobicContact CG-CG1 4.36Å; N172-V175 HydrophobicContact CB-CB 4.39Å; N172-V175 HydrophobicContact CB-CG2 3.89Å; N172-V175 PolarHBondContact O-N 2.87Å; V175-K177 VanDerWaalsContact C-N 3.32Å; V175-K177 PolarHBondContact O-N 2.93Å; V175-L178 WeakPolarHBondContact O-CB 3.23Å; V175-L178 PolarHBondContact O-N 2.82Å; V175-L179 WeakPolarHBondContact O-CB 3.48Å; V175-L179 PolarHBondContact O-N 3.21Å |
| 176 | R | 48.9 | Very low | 49 | Very low | 193 Ų | 193 | 112.3 Ų | 112.3 | 73% | 0.728 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.6 | -39.1 | 176.6 | -154 | 176.6 | -177.5 | -164.9 | 0.4 | 111.6 | N172 A180 | N172-R176 PolarHBondContact O-N 3.4Å; R176-A180 WeakPolarHBondContact O-CB 3.25Å; R176-A180 PolarHBondContact O-N 3.39Å |
| 177 | K | 52.1 | Low | 49.2 | Very low | 156 Ų | 156 | 117.3 Ų | 117.3 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.5 | -43.2 | 171.5 | -83.3 | 179.7 | 177.5 | 179.1 | 0 | 112 | C173 V174 V175 A180 Q181 | C173-K177 WeakPolarHBondContact O-CB 3.41Å; C173-K177 WeakPolarHBondContact O-CG 3.28Å; C173-K177 PolarHBondContact O-N 2.9Å; V174-K177 PolarHBondContact O-N 2.68Å; V175-K177 VanDerWaalsContact C-N 3.32Å; V175-K177 PolarHBondContact O-N 2.93Å; K177-A180 PolarHBondContact O-N 2.77Å; K177-Q181 WeakPolarHBondContact O-CG 3.33Å; K177-Q181 PolarHBondContact O-N 3.41Å |
| 178 | L | 49.2 | Very low | 49.7 | Very low | 77 Ų | 77 | 118.7 Ų | 118.7 | 40% | 0.403 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.1 | -43.5 | 177.9 | -161.4 | 82.1 | 0 | 0 | 0 | 111.6 | V174 V175 A180 Q181 L182 | V174-L178 PolarHBondContact O-N 3.37Å; V175-L178 WeakPolarHBondContact O-CB 3.23Å; V175-L178 PolarHBondContact O-N 2.82Å; L178-A180 VanDerWaalsContact C-N 3.34Å; L178-A180 PolarHBondContact O-N 2.92Å; L178-Q181 PolarHBondContact O-N 2.93Å; L178-L182 HydrophobicContact CG-CD1 4.34Å; L178-L182 PolarHBondContact O-N 2.88Å |
| 179 | L | 51.4 | Low | 49.9 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 56% | 0.56 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.7 | -38.6 | 177.2 | -160.3 | 79.2 | 0 | 0 | 0 | 111.8 | V175 Q181 L182 R183 | V175-L179 WeakPolarHBondContact O-CB 3.48Å; V175-L179 PolarHBondContact O-N 3.21Å; L179-Q181 VanDerWaalsContact C-N 3.35Å; L179-L182 PolarHBondContact O-N 2.88Å; L179-R183 PolarHBondContact O-N 2.77Å |
| 180 | A | 56.2 | Low | 50.2 | Low | 53 Ų | 53 | 120 Ų | 120 | 44% | 0.438 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66 | -37.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | R176 K177 L178 R184 | R176-A180 WeakPolarHBondContact O-CB 3.25Å; R176-A180 PolarHBondContact O-N 3.39Å; K177-A180 PolarHBondContact O-N 2.77Å; L178-A180 VanDerWaalsContact C-N 3.34Å; L178-A180 PolarHBondContact O-N 2.92Å; A180-R184 WeakPolarHBondContact O-CB 3.2Å; A180-R184 PolarHBondContact O-N 3.39Å |
| 181 | Q | 46.4 | Very low | 50.3 | Low | 108 Ų | 108 | 116.2 Ų | 116.2 | 51% | 0.505 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | 173.8 | -75.1 | -155.1 | -20.8 | 0 | 0 | 112.1 | K177 L178 L179 R184 L185 | K177-Q181 WeakPolarHBondContact O-CG 3.33Å; K177-Q181 PolarHBondContact O-N 3.41Å; L178-Q181 PolarHBondContact O-N 2.93Å; L179-Q181 VanDerWaalsContact C-N 3.35Å; Q181-R184 PolarHBondContact O-N 3.39Å; Q181-L185 WeakPolarHBondContact O-CB 3.27Å; Q181-L185 PolarHBondContact O-N 3.42Å |
| 182 | L | 50.6 | Low | 50.3 | Low | 108 Ų | 108 | 112.1 Ų | 112.1 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.2 | -43.1 | 174.1 | -112.2 | 107.2 | 0 | 0 | 0 | 111.9 | L178 L179 R184 L185 Y186 | L178-L182 HydrophobicContact CG-CD1 4.34Å; L178-L182 PolarHBondContact O-N 2.88Å; L179-L182 PolarHBondContact O-N 2.88Å; L182-R184 VanDerWaalsContact C-N 3.29Å; L182-R184 PolarHBondContact O-N 3.36Å; L182-L185 PolarHBondContact O-N 2.92Å; L182-Y186 VanDerWaalsContact O-CB 3.3Å; L182-Y186 WeakPolarHBondContact O-CB 3.24Å; L182-Y186 PolarHBondContact O-N 2.66Å |
| 183 | R | 53.7 | Low | 50.2 | Low | 191 Ų | 191 | 111.6 Ų | 111.6 | 72% | 0.721 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.1 | -40.6 | 173.4 | -93.5 | -174.8 | 177.1 | 172.8 | -0.1 | 112 | L179 Y186 W187 | L179-R183 PolarHBondContact O-N 2.77Å; R183-Y186 PolarHBondContact O-N 3.33Å; R183-W187 VanDerWaalsContact O-CB 3.31Å; R183-W187 WeakPolarHBondContact O-CB 3.34Å; R183-W187 PolarHBondContact O-N 3.15Å |
| 184 | R | 53.1 | Low | 50.3 | Low | 192 Ų | 192 | 108.9 Ų | 108.9 | 73% | 0.725 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.2 | -38.4 | 178.6 | -162.2 | 178.7 | -64 | -142.8 | -1.3 | 111.8 | A180 Q181 L182 W188 | A180-R184 WeakPolarHBondContact O-CB 3.2Å; A180-R184 PolarHBondContact O-N 3.39Å; Q181-R184 PolarHBondContact O-N 3.39Å; L182-R184 VanDerWaalsContact C-N 3.29Å; L182-R184 PolarHBondContact O-N 3.36Å; R184-W188 VanDerWaalsContact O-CB 3.24Å; R184-W188 WeakPolarHBondContact O-CB 3.29Å; R184-W188 PolarHBondContact O-N 2.94Å |
| 185 | L | 47.8 | Very low | 50.1 | Low | 72 Ų | 72 | 109.4 Ų | 109.4 | 38% | 0.377 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 173.2 | -115 | 139.1 | 0 | 0 | 0 | 111.3 | Q181 L182 W188 V189 | Q181-L185 WeakPolarHBondContact O-CB 3.27Å; Q181-L185 PolarHBondContact O-N 3.42Å; L182-L185 PolarHBondContact O-N 2.92Å; L185-W188 PolarHBondContact O-N 3.49Å; L185-V189 WeakPolarHBondContact O-CB 3.46Å; L185-V189 VanDerWaalsContact O-CG2 3.25Å; L185-V189 WeakPolarHBondContact O-CG2 3.27Å; L185-V189 PolarHBondContact O-N 3.07Å |
| 186 | Y | 48.6 | Very low | 50 | Low | 147 Ų | 147 | 111 Ų | 111 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.6 | -49.5 | 175.1 | 175.2 | -94.5 | 0 | 0 | 0 | 111 | L182 R183 W188 V189 E190 | L182-Y186 VanDerWaalsContact O-CB 3.3Å; L182-Y186 WeakPolarHBondContact O-CB 3.24Å; L182-Y186 PolarHBondContact O-N 2.66Å; R183-Y186 PolarHBondContact O-N 3.33Å; Y186-W188 VanDerWaalsContact C-N 3.32Å; Y186-W188 PolarHBondContact O-N 3Å; Y186-V189 PolarHBondContact O-N 3.19Å; Y186-E190 WeakPolarHBondContact CE1-OE2 3.39Å; Y186-E190 VanDerWaalsContact O-CB 3.28Å; Y186-E190 WeakPolarHBondContact O-CB 3.5Å; Y186-E190 PolarHBondContact O-N 3.32Å; Y186-E190 PolarHBondContact OH-OE1 3.47Å |
| 187 | W | 54.3 | Low | 49.8 | Very low | 176 Ų | 176 | 104.8 Ų | 104.8 | 67% | 0.667 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -38.3 | 178.7 | -161.9 | 77.5 | 0 | 0 | 0 | 112.3 | R183 T191 | R183-W187 VanDerWaalsContact O-CB 3.31Å; R183-W187 WeakPolarHBondContact O-CB 3.34Å; R183-W187 PolarHBondContact O-N 3.15Å; W187-T191 WeakPolarHBondContact O-CB 3.22Å; W187-T191 PolarHBondContact O-N 3.48Å; W187-T191 PolarHBondContact O-OG1 3.48Å |
| 188 | W | 51.5 | Low | 49.8 | Very low | 152 Ų | 152 | 106.5 Ų | 106.5 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67 | -44.3 | 175.3 | -173.2 | 84.8 | 0 | 0 | 0 | 112.1 | R184 L185 Y186 T191 M192 | R184-W188 VanDerWaalsContact O-CB 3.24Å; R184-W188 WeakPolarHBondContact O-CB 3.29Å; R184-W188 PolarHBondContact O-N 2.94Å; L185-W188 PolarHBondContact O-N 3.49Å; Y186-W188 VanDerWaalsContact C-N 3.32Å; Y186-W188 PolarHBondContact O-N 3Å; W188-T191 PolarHBondContact O-N 2.91Å; W188-M192 HydrophobicContact CD2-CG 3.97Å; W188-M192 HydrophobicContact CE3-CG 4.12Å; W188-M192 HydrophobicContact CH2-CE 4Å; W188-M192 HydrophobicContact CH2-CG 4.01Å; W188-M192 HydrophobicContact CZ2-CE 3.75Å; W188-M192 HydrophobicContact CZ2-CG 3.85Å; W188-M192 HydrophobicContact CZ2-SD 4.24Å; W188-M192 HydrophobicContact CZ3-CG 4.14Å; W188-M192 WeakPolarHBondContact O-CB 3.38Å; W188-M192 VanDerWaalsContact O-CG 3.25Å; W188-M192 WeakPolarHBondContact O-CG 3.44Å; W188-M192 PolarHBondContact O-N 3.36Å |
| 189 | V | 49.4 | Very low | 49.8 | Very low | 69 Ų | 69 | 108.5 Ų | 108.5 | 42% | 0.418 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 175.1 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | L185 Y186 T191 M192 T193 | L185-V189 WeakPolarHBondContact O-CB 3.46Å; L185-V189 VanDerWaalsContact O-CG2 3.25Å; L185-V189 WeakPolarHBondContact O-CG2 3.27Å; L185-V189 PolarHBondContact O-N 3.07Å; Y186-V189 PolarHBondContact O-N 3.19Å; V189-T191 VanDerWaalsContact C-N 3.32Å; V189-T191 PolarHBondContact O-N 2.91Å; V189-M192 PolarHBondContact O-N 2.9Å; V189-T193 HydrophobicContact CG1-CG2 4.37Å; V189-T193 WeakPolarHBondContact O-CB 3.31Å; V189-T193 PolarHBondContact O-N 3.42Å; V189-T193 PolarHBondContact O-OG1 3.48Å |
| 190 | E | 53.8 | Low | 49.7 | Very low | 90 Ų | 90 | 108.3 Ų | 108.3 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 178.1 | -172.1 | 165 | -149.1 | 0 | 0 | 111.4 | Y186 T193 A194 | Y186-E190 WeakPolarHBondContact CE1-OE2 3.39Å; Y186-E190 VanDerWaalsContact O-CB 3.28Å; Y186-E190 WeakPolarHBondContact O-CB 3.5Å; Y186-E190 PolarHBondContact O-N 3.32Å; Y186-E190 PolarHBondContact OH-OE1 3.47Å; E190-T193 VanDerWaalsContact CA-OG1 3.23Å; E190-T193 WeakPolarHBondContact CA-OG1 3.4Å; E190-T193 PolarHBondContact O-N 3.19Å; E190-T193 PolarHBondContact O-OG1 3.5Å; E190-A194 WeakPolarHBondContact O-CB 3.16Å; E190-A194 PolarHBondContact O-N 3.04Å |
| 191 | T | 50.2 | Low | 49.7 | Very low | 63 Ų | 63 | 108 Ų | 108 | 39% | 0.387 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 176.5 | -54 | 0 | 0 | 0 | 0 | 111.9 | W187 W188 V189 A194 L195 | W187-T191 WeakPolarHBondContact O-CB 3.22Å; W187-T191 PolarHBondContact O-N 3.48Å; W187-T191 PolarHBondContact O-OG1 3.48Å; W188-T191 PolarHBondContact O-N 2.91Å; V189-T191 VanDerWaalsContact C-N 3.32Å; V189-T191 PolarHBondContact O-N 2.91Å; T191-A194 PolarHBondContact O-N 2.87Å; T191-L195 WeakPolarHBondContact O-CB 3.46Å; T191-L195 PolarHBondContact O-N 2.81Å |
| 192 | M | 43.4 | Very low | 50.4 | Low | 82 Ų | 82 | 110.8 Ų | 110.8 | 40% | 0.404 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 177.5 | -68.7 | -65.1 | -94.2 | 0 | 0 | 111.8 | W188 V189 T196 | W188-M192 HydrophobicContact CD2-CG 3.97Å; W188-M192 HydrophobicContact CE3-CG 4.12Å; W188-M192 HydrophobicContact CH2-CE 4Å; W188-M192 HydrophobicContact CH2-CG 4.01Å; W188-M192 HydrophobicContact CZ2-CE 3.75Å; W188-M192 HydrophobicContact CZ2-CG 3.85Å; W188-M192 HydrophobicContact CZ2-SD 4.24Å; W188-M192 HydrophobicContact CZ3-CG 4.14Å; W188-M192 WeakPolarHBondContact O-CB 3.38Å; W188-M192 VanDerWaalsContact O-CG 3.25Å; W188-M192 WeakPolarHBondContact O-CG 3.44Å; W188-M192 PolarHBondContact O-N 3.36Å; V189-M192 PolarHBondContact O-N 2.9Å; M192-T196 WeakPolarHBondContact O-CB 3.18Å; M192-T196 VanDerWaalsContact O-CG2 3.29Å; M192-T196 WeakPolarHBondContact O-CG2 3.39Å; M192-T196 PolarHBondContact O-N 3.43Å; M192-T196 PolarHBondContact O-OG1 2.79Å |
| 193 | T | 49.2 | Very low | 50.6 | Low | 77 Ų | 77 | 110.3 Ų | 110.3 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -38.6 | 173.4 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | V189 E190 T196 S197 | V189-T193 HydrophobicContact CG1-CG2 4.37Å; V189-T193 WeakPolarHBondContact O-CB 3.31Å; V189-T193 PolarHBondContact O-N 3.42Å; V189-T193 PolarHBondContact O-OG1 3.48Å; E190-T193 VanDerWaalsContact CA-OG1 3.23Å; E190-T193 WeakPolarHBondContact CA-OG1 3.4Å; E190-T193 PolarHBondContact O-N 3.19Å; E190-T193 PolarHBondContact O-OG1 3.5Å; T193-T196 VanDerWaalsContact CA-OG1 3.3Å; T193-T196 WeakPolarHBondContact CA-OG1 3.3Å; T193-T196 PolarHBondContact O-OG1 3.32Å; T193-T196 VanDerWaalsContact O-OG1 3.1Å; T193-S197 WeakPolarHBondContact O-CB 3.05Å; T193-S197 PolarHBondContact O-N 2.85Å; T193-S197 PolarHBondContact O-OG 2.9Å |
| 194 | A | 51.5 | Low | 51.1 | Low | 41 Ų | 41 | 105.6 Ų | 105.6 | 34% | 0.339 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -51.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | E190 T191 T196 S197 W198 | E190-A194 WeakPolarHBondContact O-CB 3.16Å; E190-A194 PolarHBondContact O-N 3.04Å; T191-A194 PolarHBondContact O-N 2.87Å; A194-T196 PolarHBondContact O-N 3.31Å; A194-S197 WeakPolarHBondContact CA-OG 3.26Å; A194-S197 PolarHBondContact O-N 3.21Å; A194-S197 VanDerWaalsContact O-N 3.1Å; A194-S197 PolarHBondContact O-OG 3.47Å; A194-W198 PolarHBondContact O-N 3.35Å |
| 195 | L | 43.7 | Very low | 52.2 | Low | 92 Ų | 92 | 100.7 Ų | 100.7 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 179.8 | -165 | 74.9 | 0 | 0 | 0 | 112.1 | T191 S197 W198 H199 | T191-L195 WeakPolarHBondContact O-CB 3.46Å; T191-L195 PolarHBondContact O-N 2.81Å; L195-S197 VanDerWaalsContact C-N 3.34Å; L195-S197 PolarHBondContact O-N 3.45Å; L195-W198 PolarHBondContact O-N 2.77Å; L195-H199 PolarHBondContact O-CD2 3.46Å; L195-H199 PolarHBondContact O-N 3.4Å |
| 196 | T | 44.4 | Very low | 53.2 | Low | 85 Ų | 85 | 104 Ų | 104 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -34.5 | 176.3 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | M192 T193 A194 H199 L200 | M192-T196 WeakPolarHBondContact O-CB 3.18Å; M192-T196 VanDerWaalsContact O-CG2 3.29Å; M192-T196 WeakPolarHBondContact O-CG2 3.39Å; M192-T196 PolarHBondContact O-N 3.43Å; M192-T196 PolarHBondContact O-OG1 2.79Å; T193-T196 VanDerWaalsContact CA-OG1 3.3Å; T193-T196 WeakPolarHBondContact CA-OG1 3.3Å; T193-T196 PolarHBondContact O-OG1 3.32Å; T193-T196 VanDerWaalsContact O-OG1 3.1Å; A194-T196 PolarHBondContact O-N 3.31Å; T196-H199 PolarHBondContact O-N 3.37Å; T196-L200 VanDerWaalsContact O-CB 3.31Å; T196-L200 WeakPolarHBondContact O-CB 3.35Å; T196-L200 PolarHBondContact O-N 2.84Å |
| 197 | S | 46.3 | Very low | 53.7 | Low | 62 Ų | 62 | 100.1 Ų | 100.1 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.6 | -36.4 | 173.9 | 74.5 | 0 | 0 | 0 | 0 | 113 | T193 A194 L195 L200 A201 | T193-S197 WeakPolarHBondContact O-CB 3.05Å; T193-S197 PolarHBondContact O-N 2.85Å; T193-S197 PolarHBondContact O-OG 2.9Å; A194-S197 WeakPolarHBondContact CA-OG 3.26Å; A194-S197 PolarHBondContact O-N 3.21Å; A194-S197 VanDerWaalsContact O-N 3.1Å; A194-S197 PolarHBondContact O-OG 3.47Å; L195-S197 VanDerWaalsContact C-N 3.34Å; L195-S197 PolarHBondContact O-N 3.45Å; S197-L200 PolarHBondContact O-N 3.43Å; S197-A201 WeakPolarHBondContact O-CB 3.5Å; S197-A201 PolarHBondContact O-N 3.23Å |
| 198 | W | 51.1 | Low | 54.5 | Low | 192 Ų | 192 | 95.6 Ų | 95.6 | 73% | 0.727 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.8 | -42.9 | 174 | -81 | 104.3 | 0 | 0 | 0 | 111.4 | A194 L195 L200 A201 Y202 | A194-W198 PolarHBondContact O-N 3.35Å; L195-W198 PolarHBondContact O-N 2.77Å; W198-L200 VanDerWaalsContact C-N 3.32Å; W198-L200 PolarHBondContact O-N 2.93Å; W198-A201 PolarHBondContact O-N 3.22Å; W198-Y202 WeakPolarHBondContact O-CB 3.49Å; W198-Y202 PolarHBondContact O-N 3.48Å |
| 199 | H | 48.3 | Very low | 55.4 | Low | 119 Ų | 119 | 91.6 Ų | 91.6 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.1 | -37.8 | 173.5 | -72 | -59.8 | 0 | 0 | 0 | 112.3 | L195 T196 Y202 L203 | L195-H199 PolarHBondContact O-CD2 3.46Å; L195-H199 PolarHBondContact O-N 3.4Å; T196-H199 PolarHBondContact O-N 3.37Å; H199-Y202 PolarHBondContact O-N 3.27Å; H199-L203 VanDerWaalsContact O-CB 3.29Å; H199-L203 WeakPolarHBondContact O-CB 3.45Å; H199-L203 PolarHBondContact O-N 3.36Å |
| 200 | L | 49.7 | Very low | 56.8 | Low | 103 Ų | 103 | 91.9 Ų | 91.9 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 175.6 | -172.3 | 67.2 | 0 | 0 | 0 | 111.6 | T196 S197 W198 L203 I204 | T196-L200 VanDerWaalsContact O-CB 3.31Å; T196-L200 WeakPolarHBondContact O-CB 3.35Å; T196-L200 PolarHBondContact O-N 2.84Å; S197-L200 PolarHBondContact O-N 3.43Å; W198-L200 VanDerWaalsContact C-N 3.32Å; W198-L200 PolarHBondContact O-N 2.93Å; L200-L203 PolarHBondContact O-N 3.05Å; L200-I204 HydrophobicContact CG-CD1 4.06Å; L200-I204 WeakPolarHBondContact O-CB 3.44Å; L200-I204 VanDerWaalsContact O-CG1 3.22Å; L200-I204 WeakPolarHBondContact O-CG1 3.5Å; L200-I204 PolarHBondContact O-N 2.96Å |
| 201 | A | 57.3 | Low | 57.9 | Low | 47 Ų | 47 | 89.9 Ų | 89.9 | 39% | 0.388 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S197 W198 I204 T205 | S197-A201 WeakPolarHBondContact O-CB 3.5Å; S197-A201 PolarHBondContact O-N 3.23Å; W198-A201 PolarHBondContact O-N 3.22Å; A201-I204 PolarHBondContact O-N 3.02Å; A201-T205 WeakPolarHBondContact O-CB 3.36Å; A201-T205 PolarHBondContact O-N 2.89Å; A201-T205 PolarHBondContact O-OG1 3.35Å |
| 202 | Y | 59.8 | Low | 59.2 | Low | 166 Ų | 166 | 90.4 Ų | 90.4 | 65% | 0.651 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 175.4 | -172 | -97.1 | 0 | 0 | 0 | 111.7 | W198 H199 T205 W206 | W198-Y202 WeakPolarHBondContact O-CB 3.49Å; W198-Y202 PolarHBondContact O-N 3.48Å; H199-Y202 PolarHBondContact O-N 3.27Å; Y202-T205 PolarHBondContact O-N 2.93Å; Y202-W206 VanDerWaalsContact O-CB 3.27Å; Y202-W206 WeakPolarHBondContact O-CB 3.43Å; Y202-W206 PolarHBondContact O-N 3.05Å |
| 203 | L | 56 | Low | 60.8 | Low | 99 Ų | 99 | 92.6 Ų | 92.6 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -47.1 | 176 | -173.7 | 71.8 | 0 | 0 | 0 | 111.1 | H199 L200 T205 W206 T207 | H199-L203 VanDerWaalsContact O-CB 3.29Å; H199-L203 WeakPolarHBondContact O-CB 3.45Å; H199-L203 PolarHBondContact O-N 3.36Å; L200-L203 PolarHBondContact O-N 3.05Å; L203-T205 PolarHBondContact O-N 2.93Å; L203-W206 PolarHBondContact O-N 3.46Å; L203-T207 HydrophobicContact CG-CG2 4.49Å; L203-T207 WeakPolarHBondContact O-CB 3.46Å; L203-T207 VanDerWaalsContact O-CG2 3.26Å; L203-T207 WeakPolarHBondContact O-CG2 3.5Å; L203-T207 PolarHBondContact O-N 3.35Å; L203-T207 PolarHBondContact O-OG1 2.99Å; L203-T207 VanDerWaalsContact O-OG1 3.1Å |
| 204 | I | 64.8 | Low | 62.3 | Low | 91 Ų | 91 | 94.3 Ų | 94.3 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.7 | -51.4 | 176.5 | -69.9 | 165.2 | 0 | 0 | 0 | 109.7 | L200 A201 W206 T207 T208 | L200-I204 HydrophobicContact CG-CD1 4.06Å; L200-I204 WeakPolarHBondContact O-CB 3.44Å; L200-I204 VanDerWaalsContact O-CG1 3.22Å; L200-I204 WeakPolarHBondContact O-CG1 3.5Å; L200-I204 PolarHBondContact O-N 2.96Å; A201-I204 PolarHBondContact O-N 3.02Å; I204-W206 VanDerWaalsContact C-N 3.31Å; I204-W206 PolarHBondContact O-N 3.39Å; I204-T207 WeakPolarHBondContact CA-OG1 3.36Å; I204-T207 PolarHBondContact O-N 2.94Å; I204-T207 VanDerWaalsContact O-N 3.16Å; I204-T207 PolarHBondContact O-OG1 2.86Å; I204-T208 PolarHBondContact O-N 3.42Å; I204-T208 PolarHBondContact O-OG1 3.47Å |
| 205 | T | 74.3 | Confident | 63.7 | Low | 89 Ų | 89 | 97.1 Ų | 97.1 | 55% | 0.546 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | -179.2 | -50.4 | 0 | 0 | 0 | 0 | 112 | A201 Y202 L203 T208 C209 | A201-T205 WeakPolarHBondContact O-CB 3.36Å; A201-T205 PolarHBondContact O-N 2.89Å; A201-T205 PolarHBondContact O-OG1 3.35Å; Y202-T205 PolarHBondContact O-N 2.93Å; L203-T205 PolarHBondContact O-N 2.93Å; T205-T208 WeakPolarHBondContact CA-OG1 3.42Å; T205-T208 PolarHBondContact O-OG1 3.18Å; T205-T208 VanDerWaalsContact O-OG1 3.07Å; T205-C209 WeakPolarHBondContact O-CB 3.39Å; T205-C209 PolarHBondContact O-N 2.95Å |
| 206 | W | 69.9 | Low | 65.5 | Low | 143 Ų | 143 | 98.1 Ų | 98.1 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 176.7 | -172.4 | 89 | 0 | 0 | 0 | 111.5 | Y202 L203 I204 C209 L210 | Y202-W206 VanDerWaalsContact O-CB 3.27Å; Y202-W206 WeakPolarHBondContact O-CB 3.43Å; Y202-W206 PolarHBondContact O-N 3.05Å; L203-W206 PolarHBondContact O-N 3.46Å; I204-W206 VanDerWaalsContact C-N 3.31Å; I204-W206 PolarHBondContact O-N 3.39Å; W206-C209 PolarHBondContact O-N 3.05Å; W206-L210 HydrophobicContact CH2-CD2 3.79Å; W206-L210 HydrophobicContact CZ3-CD2 3.76Å; W206-L210 WeakPolarHBondContact O-CB 3.48Å; W206-L210 PolarHBondContact O-N 3.12Å |
| 207 | T | 58.6 | Low | 67.2 | Low | 65 Ų | 65 | 96.6 Ų | 96.6 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 177.4 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | L203 I204 A211 | L203-T207 HydrophobicContact CG-CG2 4.49Å; L203-T207 WeakPolarHBondContact O-CB 3.46Å; L203-T207 VanDerWaalsContact O-CG2 3.26Å; L203-T207 WeakPolarHBondContact O-CG2 3.5Å; L203-T207 PolarHBondContact O-N 3.35Å; L203-T207 PolarHBondContact O-OG1 2.99Å; L203-T207 VanDerWaalsContact O-OG1 3.1Å; I204-T207 WeakPolarHBondContact CA-OG1 3.36Å; I204-T207 PolarHBondContact O-N 2.94Å; I204-T207 VanDerWaalsContact O-N 3.16Å; I204-T207 PolarHBondContact O-OG1 2.86Å; T207-A211 WeakPolarHBondContact O-CB 3.5Å; T207-A211 PolarHBondContact O-N 2.87Å |
| 208 | T | 71.9 | Confident | 68.9 | Low | 80 Ų | 80 | 96 Ų | 96 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 173.5 | 30.2 | 0 | 0 | 0 | 0 | 111.6 | I204 T205 L210 A211 S212 | I204-T208 PolarHBondContact O-N 3.42Å; I204-T208 PolarHBondContact O-OG1 3.47Å; T205-T208 WeakPolarHBondContact CA-OG1 3.42Å; T205-T208 PolarHBondContact O-OG1 3.18Å; T205-T208 VanDerWaalsContact O-OG1 3.07Å; T208-L210 PolarHBondContact O-N 3.3Å; T208-A211 PolarHBondContact O-N 2.86Å; T208-S212 PolarHBondContact O-N 3.38Å; T208-S212 PolarHBondContact O-OG 3.33Å |
| 209 | C | 70.5 | Confident | 70.5 | Confident | 68 Ų | 68 | 93.8 Ų | 93.8 | 46% | 0.459 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 176.9 | -163.4 | 0 | 0 | 0 | 0 | 111.8 | T205 W206 A211 S212 H213 | T205-C209 WeakPolarHBondContact O-CB 3.39Å; T205-C209 PolarHBondContact O-N 2.95Å; W206-C209 PolarHBondContact O-N 3.05Å; C209-A211 PolarHBondContact O-N 3.29Å; C209-S212 PolarHBondContact O-N 3.41Å; C209-H213 PolarHBondContact O-CD2 3.41Å; C209-H213 PolarHBondContact O-N 3.49Å |
| 210 | L | 78.6 | Confident | 72.3 | Confident | 76 Ų | 76 | 92.9 Ų | 92.9 | 40% | 0.398 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 175.6 | -173.4 | 70.5 | 0 | 0 | 0 | 111.7 | W206 T208 S212 H213 L214 | W206-L210 HydrophobicContact CH2-CD2 3.79Å; W206-L210 HydrophobicContact CZ3-CD2 3.76Å; W206-L210 WeakPolarHBondContact O-CB 3.48Å; W206-L210 PolarHBondContact O-N 3.12Å; T208-L210 PolarHBondContact O-N 3.3Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3.5Å; L210-H213 PolarHBondContact O-N 3.35Å; L210-L214 HydrophobicContact CG-CD1 4.26Å; L210-L214 WeakPolarHBondContact O-CG 3.5Å; L210-L214 PolarHBondContact O-N 2.88Å |
| 211 | A | 76.2 | Confident | 73.6 | Confident | 48 Ų | 48 | 93.6 Ų | 93.6 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | T207 T208 C209 L214 L215 | T207-A211 WeakPolarHBondContact O-CB 3.5Å; T207-A211 PolarHBondContact O-N 2.87Å; T208-A211 PolarHBondContact O-N 2.86Å; C209-A211 PolarHBondContact O-N 3.29Å; A211-L214 PolarHBondContact O-N 3.04Å; A211-L215 WeakPolarHBondContact O-CB 3.48Å; A211-L215 WeakPolarHBondContact O-CG 3.47Å; A211-L215 PolarHBondContact O-N 2.93Å |
| 212 | S | 78.8 | Confident | 74.8 | Confident | 74 Ų | 74 | 95.5 Ų | 95.5 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 174.8 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | T208 C209 L210 L214 L215 Q216 | T208-S212 PolarHBondContact O-N 3.38Å; T208-S212 PolarHBondContact O-OG 3.33Å; C209-S212 PolarHBondContact O-N 3.41Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3.5Å; S212-L214 PolarHBondContact O-N 3.05Å; S212-L215 PolarHBondContact O-N 3.2Å; S212-Q216 VanDerWaalsContact O-CB 3.31Å; S212-Q216 WeakPolarHBondContact O-CB 3.42Å; S212-Q216 PolarHBondContact O-N 2.9Å |
| 213 | H | 75.2 | Confident | 75.9 | Confident | 128 Ų | 128 | 90 Ų | 90 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.1 | -39.6 | 176.5 | -87.9 | -69.6 | 0 | 0 | 0 | 113.1 | C209 L210 Q216 A217 | C209-H213 PolarHBondContact O-CD2 3.41Å; C209-H213 PolarHBondContact O-N 3.49Å; L210-H213 PolarHBondContact O-N 3.35Å; H213-Q216 PolarHBondContact O-N 3.11Å; H213-A217 WeakPolarHBondContact O-CB 3.44Å; H213-A217 PolarHBondContact O-N 3.49Å |
| 214 | L | 81.1 | Confident | 77.2 | Confident | 113 Ų | 113 | 91.2 Ų | 91.2 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.9 | -39.6 | 177 | -69.2 | 173.7 | 0 | 0 | 0 | 111.9 | L210 A211 S212 A218 | L210-L214 HydrophobicContact CG-CD1 4.26Å; L210-L214 WeakPolarHBondContact O-CG 3.5Å; L210-L214 PolarHBondContact O-N 2.88Å; A211-L214 PolarHBondContact O-N 3.04Å; S212-L214 PolarHBondContact O-N 3.05Å; L214-A218 WeakPolarHBondContact O-CB 3.43Å; L214-A218 PolarHBondContact O-N 2.86Å |
| 215 | L | 80.4 | Confident | 77.8 | Confident | 100 Ų | 100 | 91.3 Ų | 91.3 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 173.6 | -77.9 | 167.3 | 0 | 0 | 0 | 111.3 | A211 S212 A218 F219 | A211-L215 WeakPolarHBondContact O-CB 3.48Å; A211-L215 WeakPolarHBondContact O-CG 3.47Å; A211-L215 PolarHBondContact O-N 2.93Å; S212-L215 PolarHBondContact O-N 3.2Å; L215-A218 PolarHBondContact O-N 2.98Å; L215-F219 HydrophobicContact CB-CE2 4.42Å; L215-F219 HydrophobicContact CD2-CE2 4.44Å; L215-F219 WeakPolarHBondContact O-CD2 3.25Å; L215-F219 PolarHBondContact O-N 3.24Å |
| 216 | Q | 82.8 | Confident | 77.9 | Confident | 112 Ų | 112 | 89.5 Ų | 89.5 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57 | -51.4 | 176.1 | -173.4 | 83.1 | 14.2 | 0 | 0 | 111 | S212 H213 A218 F219 E220 | S212-Q216 VanDerWaalsContact O-CB 3.31Å; S212-Q216 WeakPolarHBondContact O-CB 3.42Å; S212-Q216 PolarHBondContact O-N 2.9Å; H213-Q216 PolarHBondContact O-N 3.11Å; Q216-A218 VanDerWaalsContact C-N 3.31Å; Q216-A218 PolarHBondContact O-N 3.49Å; Q216-F219 PolarHBondContact O-N 3.29Å; Q216-E220 WeakPolarHBondContact CG-OE1 3.49Å; Q216-E220 PolarHBondContact NE2-OE1 3.39Å; Q216-E220 WeakPolarHBondContact O-CG 3.36Å; Q216-E220 PolarHBondContact O-N 2.87Å |
| 217 | A | 80.6 | Confident | 78.4 | Confident | 53 Ų | 53 | 88.8 Ų | 88.8 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H213 H221 | H213-A217 WeakPolarHBondContact O-CB 3.44Å; H213-A217 PolarHBondContact O-N 3.49Å; A217-H221 WeakPolarHBondContact O-CB 3.48Å; A217-H221 PolarHBondContact O-N 2.95Å |
| 218 | A | 81.7 | Confident | 79.2 | Confident | 51 Ų | 51 | 88.7 Ų | 88.7 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L214 L215 Q216 H221 T222 | L214-A218 WeakPolarHBondContact O-CB 3.43Å; L214-A218 PolarHBondContact O-N 2.86Å; L215-A218 PolarHBondContact O-N 2.98Å; Q216-A218 VanDerWaalsContact C-N 3.31Å; Q216-A218 PolarHBondContact O-N 3.49Å; A218-H221 PolarHBondContact O-N 2.89Å; A218-T222 WeakPolarHBondContact O-CB 3.31Å; A218-T222 PolarHBondContact O-N 3.48Å; A218-T222 PolarHBondContact O-OG1 3.27Å |
| 219 | F | 84.9 | Confident | 78.9 | Confident | 145 Ų | 145 | 91.8 Ų | 91.8 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.7 | -41.6 | 176.7 | -75.7 | -58.5 | 0 | 0 | 0 | 112.3 | L215 Q216 H221 T222 A223 | L215-F219 HydrophobicContact CB-CE2 4.42Å; L215-F219 HydrophobicContact CD2-CE2 4.44Å; L215-F219 WeakPolarHBondContact O-CD2 3.25Å; L215-F219 PolarHBondContact O-N 3.24Å; Q216-F219 PolarHBondContact O-N 3.29Å; F219-H221 PolarHBondContact O-N 3.45Å; F219-T222 PolarHBondContact O-N 3.36Å; F219-A223 WeakPolarHBondContact O-CB 3.39Å; F219-A223 PolarHBondContact O-N 3.06Å |
| 220 | E | 85.3 | Confident | 78.4 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 175.6 | -75.6 | 170.6 | -170 | 0 | 0 | 111.5 | Q216 T222 A223 Q224 | Q216-E220 WeakPolarHBondContact CG-OE1 3.49Å; Q216-E220 PolarHBondContact NE2-OE1 3.39Å; Q216-E220 WeakPolarHBondContact O-CG 3.36Å; Q216-E220 PolarHBondContact O-N 2.87Å; E220-T222 VanDerWaalsContact C-N 3.33Å; E220-T222 PolarHBondContact O-N 3.5Å; E220-A223 PolarHBondContact O-N 2.98Å; E220-Q224 WeakPolarHBondContact O-CB 3.49Å; E220-Q224 VanDerWaalsContact O-CG 3.3Å; E220-Q224 WeakPolarHBondContact O-CG 3.43Å; E220-Q224 PolarHBondContact O-N 3.34Å |
| 221 | H | 77.7 | Confident | 77.5 | Confident | 117 Ų | 117 | 99 Ų | 99 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 175.2 | -172.5 | -89.7 | 0 | 0 | 0 | 112.1 | A217 A218 F219 Q224 L225 | A217-H221 WeakPolarHBondContact O-CB 3.48Å; A217-H221 PolarHBondContact O-N 2.95Å; A218-H221 PolarHBondContact O-N 2.89Å; F219-H221 PolarHBondContact O-N 3.45Å; H221-Q224 PolarHBondContact O-N 3.2Å; H221-L225 VanDerWaalsContact CE1-CD1 3.41Å; H221-L225 WeakPolarHBondContact CE1-CD1 3.44Å; H221-L225 WeakPolarHBondContact O-CB 3.46Å; H221-L225 PolarHBondContact O-N 2.87Å |
| 222 | T | 81.6 | Confident | 76.3 | Confident | 88 Ų | 88 | 104.3 Ų | 104.3 | 54% | 0.54 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68 | -37.7 | 177.3 | -43.4 | 0 | 0 | 0 | 0 | 111.4 | A218 F219 E220 L225 A226 | A218-T222 WeakPolarHBondContact O-CB 3.31Å; A218-T222 PolarHBondContact O-N 3.48Å; A218-T222 PolarHBondContact O-OG1 3.27Å; F219-T222 PolarHBondContact O-N 3.36Å; E220-T222 VanDerWaalsContact C-N 3.33Å; E220-T222 PolarHBondContact O-N 3.5Å; T222-L225 PolarHBondContact O-N 3.08Å; T222-A226 WeakPolarHBondContact O-CB 3.36Å; T222-A226 PolarHBondContact O-N 3.44Å |
| 223 | A | 82.9 | Confident | 74.8 | Confident | 49 Ų | 49 | 106.3 Ų | 106.3 | 41% | 0.405 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F219 E220 A226 Q227 | F219-A223 WeakPolarHBondContact O-CB 3.39Å; F219-A223 PolarHBondContact O-N 3.06Å; E220-A223 PolarHBondContact O-N 2.98Å; A223-A226 PolarHBondContact O-N 2.95Å; A223-Q227 WeakPolarHBondContact O-CG 3.43Å; A223-Q227 PolarHBondContact O-N 3.36Å |
| 224 | Q | 82.9 | Confident | 73.5 | Confident | 125 Ų | 125 | 109.2 Ų | 109.2 | 58% | 0.584 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.3 | -40.4 | 174.1 | -74 | 173.3 | 1.8 | 0 | 0 | 112 | E220 H221 Q227 A228 | E220-Q224 WeakPolarHBondContact O-CB 3.49Å; E220-Q224 VanDerWaalsContact O-CG 3.3Å; E220-Q224 WeakPolarHBondContact O-CG 3.43Å; E220-Q224 PolarHBondContact O-N 3.34Å; H221-Q224 PolarHBondContact O-N 3.2Å; Q224-Q227 PolarHBondContact O-N 2.67Å; Q224-A228 VanDerWaalsContact O-CB 3.3Å; Q224-A228 WeakPolarHBondContact O-CB 3.46Å; Q224-A228 PolarHBondContact O-N 2.97Å |
| 225 | L | 78 | Confident | 71.5 | Confident | 93 Ų | 93 | 112.5 Ų | 112.5 | 49% | 0.487 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.7 | -42.8 | 173.8 | -111.7 | 148.9 | 0 | 0 | 0 | 112 | H221 T222 A228 Q229 | H221-L225 VanDerWaalsContact CE1-CD1 3.41Å; H221-L225 WeakPolarHBondContact CE1-CD1 3.44Å; H221-L225 WeakPolarHBondContact O-CB 3.46Å; H221-L225 PolarHBondContact O-N 2.87Å; T222-L225 PolarHBondContact O-N 3.08Å; L225-A228 PolarHBondContact O-N 3.17Å; L225-Q229 VanDerWaalsContact O-CB 3.26Å; L225-Q229 WeakPolarHBondContact O-CB 3.48Å; L225-Q229 PolarHBondContact O-N 2.77Å |
| 226 | A | 76.9 | Confident | 69.5 | Low | 51 Ų | 51 | 114 Ų | 114 | 42% | 0.421 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.2 | -42.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | T222 A223 Q229 E230 | T222-A226 WeakPolarHBondContact O-CB 3.36Å; T222-A226 PolarHBondContact O-N 3.44Å; A223-A226 PolarHBondContact O-N 2.95Å; A226-Q229 PolarHBondContact O-N 3.28Å; A226-E230 PolarHBondContact O-N 3.1Å; A226-E230 VanDerWaalsContact O-N 3.07Å |
| 227 | Q | 79.4 | Confident | 67.3 | Low | 129 Ų | 129 | 114 Ų | 114 | 60% | 0.603 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.1 | -40.8 | 175.8 | -73.3 | -179.7 | -0.1 | 0 | 0 | 112.7 | A223 Q224 Q229 E230 V231 | A223-Q227 WeakPolarHBondContact O-CG 3.43Å; A223-Q227 PolarHBondContact O-N 3.36Å; Q224-Q227 PolarHBondContact O-N 2.67Å; Q227-Q229 VanDerWaalsContact C-N 3.25Å; Q227-Q229 PolarHBondContact O-N 3.48Å; Q227-E230 PolarHBondContact O-N 3.32Å; Q227-V231 VanDerWaalsContact O-CG2 3.3Å; Q227-V231 WeakPolarHBondContact O-CG2 3.43Å; Q227-V231 PolarHBondContact O-N 3.18Å; Q227-V231 VanDerWaalsContact O-N 3.16Å |
| 228 | A | 75 | Confident | 65.4 | Low | 63 Ų | 63 | 114.7 Ų | 114.7 | 52% | 0.521 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.9 | -32.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q224 L225 V231 E232 | Q224-A228 VanDerWaalsContact O-CB 3.3Å; Q224-A228 WeakPolarHBondContact O-CB 3.46Å; Q224-A228 PolarHBondContact O-N 2.97Å; L225-A228 PolarHBondContact O-N 3.17Å; A228-V231 PolarHBondContact O-N 3.16Å; A228-E232 PolarHBondContact O-N 3.47Å |
| 229 | Q | 65.9 | Low | 62.9 | Low | 144 Ų | 144 | 117.9 Ų | 117.9 | 67% | 0.673 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.9 | -20.3 | 177.3 | -167.3 | 164 | 7.9 | 0 | 0 | 113.6 | L225 A226 Q227 | L225-Q229 VanDerWaalsContact O-CB 3.26Å; L225-Q229 WeakPolarHBondContact O-CB 3.48Å; L225-Q229 PolarHBondContact O-N 2.77Å; A226-Q229 PolarHBondContact O-N 3.28Å; Q227-Q229 VanDerWaalsContact C-N 3.25Å; Q227-Q229 PolarHBondContact O-N 3.48Å |
| 230 | E | 60.8 | Low | 60.6 | Low | 169 Ų | 169 | 116.6 Ų | 116.6 | 79% | 0.79 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -80.5 | -23.1 | 168.6 | -78.8 | -178.2 | 165 | 0 | 0 | 112.7 | A226 Q227 | A226-E230 PolarHBondContact O-N 3.1Å; A226-E230 VanDerWaalsContact O-N 3.07Å; Q227-E230 PolarHBondContact O-N 3.32Å |
| 231 | V | 58.7 | Low | 58.3 | Low | 127 Ų | 127 | 118.7 Ų | 118.7 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -84.6 | -14.4 | 179.1 | 176.1 | 0 | 0 | 0 | 0 | 112.8 | Q227 A228 | Q227-V231 VanDerWaalsContact O-CG2 3.3Å; Q227-V231 WeakPolarHBondContact O-CG2 3.43Å; Q227-V231 PolarHBondContact O-N 3.18Å; Q227-V231 VanDerWaalsContact O-N 3.16Å; A228-V231 PolarHBondContact O-N 3.16Å |
| 232 | E | 51.8 | Low | 56.1 | Low | 159 Ų | 159 | 120.1 Ų | 120.1 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -138.8 | 112.7 | 171.7 | -166.5 | -174.5 | 165.8 | 0 | 0 | 109 | A228 | A228-E232 PolarHBondContact O-N 3.47Š|
| 233 | P | 47.9 | Very low | 54.2 | Low | 116 Ų | 116 | 121.6 Ų | 121.6 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | S | Bend | cis | -140 | 114.3 | 37.4 | 35 | -12.4 | 0 | 0 | 0 | 114.5 | ||
| 234 | Q | 46.9 | Very low | 51.7 | Low | 189 Ų | 189 | 124.3 Ų | 124.3 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | trans | -145.7 | 58.3 | 155 | -159.7 | 171.5 | 19 | 0 | 0 | 111.7 | ||||
| 235 | E | 38.4 | Very low | 49.4 | Very low | 183 Ų | 183 | 126.5 Ų | 126.5 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -142.6 | 99.8 | 145.8 | -75.5 | -150.6 | 164.6 | 0 | 0 | 111.1 | ||
| 236 | V | 39.9 | Very low | 47.4 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | trans | 57 | 110.9 | 134.4 | -171.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 237 | S | 36.4 | Very low | 45.1 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | -174.3 | 117.1 | 114.3 | -81.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 238 | G | 39.3 | Very low | 42.7 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | cis | 70.2 | 96.9 | 36.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 239 | S | 30.7 | Very low | 40.7 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 89.2 | 78.8 | 171.4 | -127 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 240 | S | 36.6 | Very low | 39 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -71.1 | 112.2 | 144.1 | 155.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 241 | L | 36.3 | Very low | 37.6 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -167.4 | 115.9 | 151.6 | -100.2 | 160.5 | 0 | 0 | 0 | 111 | ||||
| 242 | L | 31.9 | Very low | 36.3 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | 69 | 128.9 | 156.6 | -92 | 143 | 0 | 0 | 0 | 121.7 | ||||
| 243 | P | 41.2 | Very low | 35.4 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -83.4 | 136.5 | 164.9 | 32.9 | -31.6 | 0 | 0 | 0 | 111 | ||||
| 244 | S | 31.2 | Very low | 34.5 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -148.7 | 104.6 | 168 | -66.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 245 | L | 34.2 | Very low | 33.7 | Very low | 171 Ų | 171 | 125.2 Ų | 125.2 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | 41.2 | 117.5 | 145.1 | -90.8 | 80.2 | 0 | 0 | 0 | 121.1 | ||||
| 246 | S | 35.3 | Very low | 33.4 | Very low | 131 Ų | 131 | 122 Ų | 122 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -41.9 | 136.4 | 144.9 | -172.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 247 | G | 28.6 | Very low | 33.2 | Very low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 173.1 | 137.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 248 | S | 29.5 | Very low | 33.1 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | cis | -159 | 151 | -8.5 | 56.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 249 | S | 32.9 | Very low | 32.9 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -56.7 | 152.3 | 162.9 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 250 | D | 30.3 | Very low | 33.2 | Very low | 153 Ų | 153 | 129.6 Ų | 129.6 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 145.4 | 110.6 | 141.4 | -71.3 | -14.5 | 0 | 0 | 0 | 109 | ||||
| 251 | S | 31 | Very low | 33.1 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | 78.4 | 116.9 | 75.1 | -152.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 252 | E | 32.6 | Very low | 33.3 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | 101 | 141.5 | 140.4 | -138.4 | 170.7 | 123.7 | 0 | 0 | 121.3 | ||||
| 253 | S | 31.8 | Very low | 33.8 | Very low | 122 Ų | 122 | 129 Ų | 129 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | 76.1 | 136.1 | 172.2 | 79.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 254 | G | 30.1 | Very low | 33.9 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | cis | -179.5 | 144.5 | -3.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 255 | L | 29.7 | Very low | 34.5 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | 52.9 | 124.7 | 136.8 | -131.5 | 100.1 | 0 | 0 | 0 | 119.7 | ||||
| 256 | V | 33 | Very low | 34.6 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 71% | 0.709 | 82% | 0.818 | S | S | * | * | 152.2 | 127.8 | 122 | 164.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 257 | L | 35.4 | Very low | 34.5 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | 57.5 | 115.8 | 154.5 | -100.6 | 81.5 | 0 | 0 | 0 | 121.3 | ||||
| 258 | S | 33 | Very low | 34.9 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 59% | 0.587 | 82% | 0.818 | S | S | * | * | 84.4 | 111.3 | 87.6 | -92.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 259 | E | 35.3 | Very low | 35.2 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | 68.2 | 119.5 | 114.6 | -78.8 | 174.4 | 100.7 | 0 | 0 | 114.3 | |||||
| 260 | Q | 36.4 | Very low | 35.3 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | 179.5 | 119 | 98.5 | -163.9 | 140.9 | 22 | 0 | 0 | 111 | |||||
| 261 | E | 35.7 | Very low | 35.6 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | -9 | 139.6 | 140.7 | -110 | 175.9 | 118.5 | 0 | 0 | 115.8 | ||||
| 262 | T | 39.3 | Very low | 36 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 72% | 0.724 | 83% | 0.833 | S | S | * | * | -178 | 164.7 | 60 | 12.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 263 | P | 43.5 | Very low | 36.2 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 74% | 0.74 | 83% | 0.833 | S | S | * | * | trans | -98.2 | 169 | -175.5 | 39.2 | -32.2 | 0 | 0 | 0 | 113.1 | ||||
| 264 | R | 42.2 | Very low | 36.6 | Very low | 248 Ų | 248 | 147.1 Ų | 147.1 | 94% | 0.936 | 83% | 0.831 | S | S | * | * | trans | -143.3 | 121.6 | 152.5 | -76.5 | -163.5 | -175.3 | 155.4 | 4 | 112.3 | ||||
| 265 | A | 45.7 | Very low | 37.2 | Very low | 180 Ų | 180 | 154.3 Ų | 154.3 | 100% | 1.488 | 84% | 0.843 | S | S | * | * | trans | 38.1 | 0 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.6 |
Retrieved 265 of 265 residues in 1448.3 ms
(Link to these results)