| 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 | 36.4 | Very low | 46.2 | Very low | 240 Ų | 240 | 145.7 Ų | 145.7 | 100% | 1.182 | 80% | 0.803 | S | S | * | * | 0 | 111.1 | 0 | -71 | -74.6 | -148.4 | 0 | 0 | 108 | S3 | M1-S3 PolarHBondContact O-N 3.23Š| |||
| 2 | T | 39.7 | Very low | 47.1 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -60.4 | 107.3 | -179.9 | 22 | 0 | 0 | 0 | 0 | 110.4 | V4 | T2-V4 PolarHBondContact O-N 2.76Å; T2-V4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | S | 40.7 | Very low | 47.8 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -69.1 | 108.7 | 176.1 | 56 | 0 | 0 | 0 | 0 | 109.2 | M1 L5 | M1-S3 PolarHBondContact O-N 3.23Å; S3-L5 PolarHBondContact O-N 3.04Å; S3-L5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | V | 42.1 | Very low | 48.2 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -53.9 | 115.7 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | T2 | T2-V4 PolarHBondContact O-N 2.76Å; T2-V4 VanDerWaalsContact O-N 3.14Å | ||
| 5 | L | 45 | Very low | 49.2 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -58.4 | 131.9 | 169.1 | -73.1 | 165.7 | 0 | 0 | 0 | 108.2 | S3 S7 | S3-L5 PolarHBondContact O-N 3.04Å; S3-L5 VanDerWaalsContact O-N 3.17Å; L5-S7 PolarHBondContact O-N 3.41Å | ||
| 6 | P | 49.6 | Very low | 50.3 | Low | 108 Ų | 108 | 137.4 Ų | 137.4 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -61.2 | 132.8 | 177 | 24.9 | -31.7 | 0 | 0 | 0 | 109.3 | R8 | P6-R8 PolarHBondContact O-N 2.85Å; P6-R8 VanDerWaalsContact O-N 3.12Å | ||
| 7 | S | 46.9 | Very low | 51 | Low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -62.3 | 114.3 | 176.6 | 55.8 | 0 | 0 | 0 | 0 | 109.1 | L5 N9 | L5-S7 PolarHBondContact O-N 3.41Å; S7-N9 PolarHBondContact O-N 3.35Å | ||
| 8 | R | 44.2 | Very low | 52.2 | Low | 222 Ų | 222 | 132.5 Ų | 132.5 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -67.6 | 115.4 | 172.4 | -167.4 | 179.4 | -177.1 | -173.8 | 0.1 | 107.9 | P6 | P6-R8 PolarHBondContact O-N 2.85Å; P6-R8 VanDerWaalsContact O-N 3.12Å | ||
| 9 | N | 49.6 | Very low | 52.4 | Low | 83 Ų | 83 | 135 Ų | 135 | 44% | 0.444 | 76% | 0.755 | S | S | . | * | trans | -62.7 | 145.6 | 168.3 | -71.4 | -14.7 | 0 | 0 | 0 | 109.2 | S7 E11 G12 | S7-N9 PolarHBondContact O-N 3.35Å; N9-E11 PolarHBondContact O-N 2.97Å; N9-E11 VanDerWaalsContact O-N 3.09Å; N9-G12 PolarHBondContact O-N 3.18Å | ||
| 10 | P | 56.8 | Low | 53.2 | Low | 135 Ų | 135 | 135.1 Ų | 135.1 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -16.5 | -174.8 | 23.7 | -33.2 | 0 | 0 | 0 | 114.1 | G12 | P10-G12 VanDerWaalsContact C-N 3.27Å; P10-G12 PolarHBondContact O-N 2.69Å |
| 11 | E | 57.6 | Low | 53.8 | Low | 167 Ų | 167 | 137.9 Ų | 137.9 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 7.2 | 179.6 | -62.1 | -165.7 | 161.7 | 0 | 0 | 114.6 | N9 T13 | N9-E11 PolarHBondContact O-N 2.97Å; N9-E11 VanDerWaalsContact O-N 3.09Å; E11-T13 PolarHBondContact O-N 3.14Å |
| 12 | G | 56.9 | Low | 55.2 | Low | 51 Ų | 51 | 133.1 Ų | 133.1 | 53% | 0.526 | 75% | 0.749 | S | S | . | * | trans | 69.9 | -0.6 | 169 | 0 | 0 | 0 | 0 | 0 | 115.6 | N9 P10 | N9-G12 PolarHBondContact O-N 3.18Å; P10-G12 VanDerWaalsContact C-N 3.27Å; P10-G12 PolarHBondContact O-N 2.69Å | ||
| 13 | T | 56.2 | Low | 56.2 | Low | 100 Ų | 100 | 132.6 Ų | 132.6 | 61% | 0.613 | 75% | 0.745 | S | S | * | * | trans | -87.3 | 126.2 | 175.3 | 32.8 | 0 | 0 | 0 | 0 | 111.1 | E11 S15 | E11-T13 PolarHBondContact O-N 3.14Å; T13-S15 PolarHBondContact O-N 3.11Å | ||
| 14 | Y | 53.5 | Low | 57.3 | Low | 200 Ų | 200 | 131.4 Ų | 131.4 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | -75.6 | 106.7 | 176.1 | -178.6 | -97.2 | 0 | 0 | 0 | 109 | F16 | Y14-F16 HydrophobicContact CE1-CB 4.08Š| ||
| 15 | S | 63.6 | Low | 57.9 | Low | 89 Ų | 89 | 136.7 Ų | 136.7 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | trans | -107.6 | 122.2 | 171.8 | 65 | 0 | 0 | 0 | 0 | 109.7 | T13 | T13-S15 PolarHBondContact O-N 3.11Š| ||
| 16 | F | 66.2 | Low | 58.4 | Low | 155 Ų | 155 | 140.7 Ų | 140.7 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | trans | -106 | 118.4 | 173.1 | 176.9 | -96.3 | 0 | 0 | 0 | 108.2 | Y14 | Y14-F16 HydrophobicContact CE1-CB 4.08Š| ||
| 17 | A | 61.9 | Low | 58.9 | Low | 102 Ų | 102 | 143.8 Ų | 143.8 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -125.6 | 120.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 18 | S | 72.8 | Confident | 59.5 | Low | 85 Ų | 85 | 146.1 Ų | 146.1 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | trans | -121.3 | 142.4 | 169.7 | 61.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 19 | Q | 55.8 | Low | 60.3 | Low | 180 Ų | 180 | 144.4 Ų | 144.4 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | -70.9 | 139 | 173.9 | -71.1 | -174.7 | -8 | 0 | 0 | 109.6 | K21 | Q19-K21 PolarHBondContact O-N 3.31Å; Q19-K21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | P | 69.1 | Low | 60.3 | Low | 136 Ų | 136 | 152.4 Ų | 152.4 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -61 | 119.3 | 176.8 | 25 | -32.4 | 0 | 0 | 0 | 109 | ||||
| 21 | K | 65.5 | Low | 59.9 | Low | 194 Ų | 194 | 153.2 Ų | 153.2 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -107.6 | 128.7 | 175.6 | -147.8 | 177.3 | -174.8 | -175.1 | 0 | 107.8 | Q19 V23 | Q19-K21 PolarHBondContact O-N 3.31Å; Q19-K21 VanDerWaalsContact O-N 3.14Å; K21-V23 PolarHBondContact O-N 3.19Å | ||
| 22 | V | 65.1 | Low | 59.4 | Low | 141 Ų | 141 | 151.6 Ų | 151.6 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | -59.7 | 124.7 | 177.5 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | A24 | V22-A24 PolarHBondContact O-N 3.23Å; V22-A24 VanDerWaalsContact O-N 3.16Å | ||
| 23 | V | 61.6 | Low | 59.1 | Low | 131 Ų | 131 | 155.9 Ų | 155.9 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -66.3 | 113.6 | 174 | -174.1 | 0 | 0 | 0 | 0 | 106.8 | K21 R25 | K21-V23 PolarHBondContact O-N 3.19Å; V23-R25 PolarHBondContact O-N 3.14Å | ||
| 24 | A | 64.3 | Low | 58.8 | Low | 85 Ų | 85 | 159.2 Ų | 159.2 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 128.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | V22 R26 | V22-A24 PolarHBondContact O-N 3.23Å; V22-A24 VanDerWaalsContact O-N 3.16Å; A24-R26 PolarHBondContact O-N 2.93Å |
| 25 | R | 54.9 | Low | 58.6 | Low | 247 Ų | 247 | 158.1 Ų | 158.1 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 119.2 | 178.7 | -68.2 | -173.9 | 178 | -170.7 | -0.7 | 108.4 | V23 K27 | V23-R25 PolarHBondContact O-N 3.14Å; R25-K27 PolarHBondContact O-N 3.19Å |
| 26 | R | 54.3 | Low | 57.8 | Low | 238 Ų | 238 | 160 Ų | 160 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 127.2 | 169.9 | -70.5 | -178.8 | 174.9 | 172.5 | -1.8 | 108 | A24 | A24-R26 PolarHBondContact O-N 2.93Š|
| 27 | K | 59.3 | Low | 56.9 | Low | 173 Ų | 173 | 158.2 Ų | 158.2 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 135.8 | 169.2 | -65.5 | -177.6 | -179.1 | 178.8 | 0 | 107.7 | R25 Y29 | R25-K27 PolarHBondContact O-N 3.19Å; K27-Y29 PolarHBondContact O-N 2.92Å |
| 28 | I | 61.3 | Low | 56.2 | Low | 155 Ų | 155 | 160.7 Ų | 160.7 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -65.2 | -23.5 | -179.1 | -62.5 | 170.5 | 0 | 0 | 0 | 110.6 | ||
| 29 | Y | 59.2 | Low | 55.2 | Low | 186 Ų | 186 | 160 Ų | 160 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -99.7 | 130.2 | -178.4 | -57.6 | -77.4 | 0 | 0 | 0 | 111.3 | K27 E31 | K27-Y29 PolarHBondContact O-N 2.92Å; Y29-E31 PolarHBondContact O-N 2.92Å |
| 30 | R | 51.5 | Low | 55 | Low | 251 Ų | 251 | 158.8 Ų | 158.8 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | trans | -74.9 | 71.6 | 179.1 | -66.3 | 178.6 | -179.8 | 166.9 | 0.6 | 110.4 | ||||
| 31 | E | 46.8 | Very low | 54.4 | Low | 152 Ų | 152 | 161.7 Ų | 161.7 | 71% | 0.71 | 77% | 0.769 | S | S | * | * | trans | -95.1 | 115.3 | 168.8 | -77.3 | -176.2 | 161.8 | 0 | 0 | 109.7 | Y29 | Y29-E31 PolarHBondContact O-N 2.92Š| ||
| 32 | N | 46.8 | Very low | 54.3 | Low | 133 Ų | 133 | 155.4 Ų | 155.4 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | 67.2 | 88.2 | 162.2 | -51.8 | -33.9 | 0 | 0 | 0 | 115.6 | E34 | N32-E34 PolarHBondContact O-N 2.94Š| ||
| 33 | I | 51.3 | Low | 54.5 | Low | 141 Ų | 141 | 152.8 Ų | 152.8 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -15 | 175.3 | -66.1 | 165.7 | 0 | 0 | 0 | 112.7 | E35 I37 | I33-E35 PolarHBondContact O-N 3.49Å; I33-I37 HydrophobicContact CG2-CD1 4.28Å; I33-I37 WeakPolarHBondContact O-CD1 3.39Å; I33-I37 WeakPolarHBondContact O-CG1 3.34Å |
| 34 | E | 49.7 | Very low | 55.2 | Low | 170 Ų | 170 | 152 Ų | 152 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -28.6 | -165.6 | -60.7 | -167.9 | 165.2 | 0 | 0 | 114.8 | N32 | N32-E34 PolarHBondContact O-N 2.94Š|
| 35 | E | 50.2 | Low | 55.4 | Low | 176 Ų | 176 | 153.3 Ų | 153.3 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -25 | -172.8 | -64.9 | -170 | 168.3 | 0 | 0 | 114.1 | I33 | I33-E35 PolarHBondContact O-N 3.49Š|
| 36 | D | 46.2 | Very low | 55.9 | Low | 130 Ų | 130 | 150.5 Ų | 150.5 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -86.8 | -8.1 | -175.2 | -80.3 | -18.8 | 0 | 0 | 0 | 114.5 | N38 T39 | D36-N38 PolarHBondContact O-N 3.48Å; D36-N38 VanDerWaalsContact O-N 3.14Å; D36-T39 PolarHBondContact O-N 3.07Å; D36-T39 VanDerWaalsContact O-N 3.08Å; D36-T39 PolarHBondContact O-OG1 2.92Å |
| 37 | I | 48 | Very low | 56.7 | Low | 116 Ų | 116 | 142.3 Ų | 142.3 | 60% | 0.595 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -63.9 | -22.5 | -176.8 | -45.8 | -179.7 | 0 | 0 | 0 | 111.9 | I33 T39 | I33-I37 HydrophobicContact CG2-CD1 4.28Å; I33-I37 WeakPolarHBondContact O-CD1 3.39Å; I33-I37 WeakPolarHBondContact O-CG1 3.34Å; I37-T39 PolarHBondContact O-N 3.41Å |
| 38 | N | 46.7 | Very low | 57.2 | Low | 154 Ų | 154 | 145.8 Ų | 145.8 | 82% | 0.824 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -78.1 | -3.1 | 178.5 | -76.9 | -21.4 | 0 | 0 | 0 | 114.2 | D36 N40 | D36-N38 PolarHBondContact O-N 3.48Å; D36-N38 VanDerWaalsContact O-N 3.14Å; N38-N40 PolarHBondContact O-N 3.16Å |
| 39 | T | 52.7 | Low | 57.7 | Low | 70 Ų | 70 | 148.6 Ų | 148.6 | 43% | 0.429 | 70% | 0.698 | S | S | . | * | trans | -80 | 80.5 | 168.1 | -21.2 | 0 | 0 | 0 | 0 | 108.2 | D36 I37 Y41 | D36-T39 PolarHBondContact O-N 3.07Å; D36-T39 VanDerWaalsContact O-N 3.08Å; D36-T39 PolarHBondContact O-OG1 2.92Å; I37-T39 PolarHBondContact O-N 3.41Å; T39-Y41 HydrophobicContact CG2-CD2 3.75Å; T39-Y41 HydrophobicContact CG2-CE1 4.39Å; T39-Y41 HydrophobicContact CG2-CE2 3.11Å; T39-Y41 VanDerWaalsContact CG2-CZ 3.48Å; T39-Y41 WeakPolarHBondContact O-CD2 3.3Å; T39-Y41 PolarHBondContact O-N 2.86Å | ||
| 40 | N | 50.6 | Low | 58.4 | Low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 68% | 0.68 | S | S | * | * | trans | -69.4 | 63.3 | -178.9 | -150.1 | 63.3 | 0 | 0 | 0 | 110 | N38 G42 | N38-N40 PolarHBondContact O-N 3.16Å; N40-G42 PolarHBondContact O-N 3.18Å | ||
| 41 | Y | 55.7 | Low | 59.2 | Low | 197 Ų | 197 | 135.5 Ų | 135.5 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | trans | -68.3 | 88.4 | 166 | -66.2 | -71.6 | 0 | 0 | 0 | 106.3 | T39 N43 | T39-Y41 HydrophobicContact CG2-CD2 3.75Å; T39-Y41 HydrophobicContact CG2-CE1 4.39Å; T39-Y41 HydrophobicContact CG2-CE2 3.11Å; T39-Y41 VanDerWaalsContact CG2-CZ 3.48Å; T39-Y41 WeakPolarHBondContact O-CD2 3.3Å; T39-Y41 PolarHBondContact O-N 2.86Å; Y41-N43 PolarHBondContact O-N 3.34Å | ||
| 42 | G | 64.6 | Low | 60.4 | Low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | trans | -59.2 | 108.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | N40 I44 | N40-G42 PolarHBondContact O-N 3.18Å; G42-I44 PolarHBondContact O-N 3.04Å | ||
| 43 | N | 69.2 | Low | 61.7 | Low | 86 Ų | 86 | 131.5 Ų | 131.5 | 46% | 0.46 | 65% | 0.648 | S | S | . | * | trans | -54.2 | 119.1 | 174.9 | -178.1 | -6.3 | 0 | 0 | 0 | 107.9 | Y41 M45 Y46 D47 | Y41-N43 PolarHBondContact O-N 3.34Å; N43-M45 PolarHBondContact O-N 2.8Å; N43-M45 VanDerWaalsContact OD1-CB 3.26Å; N43-M45 WeakPolarHBondContact OD1-CB 3.5Å; N43-M45 WeakPolarHBondContact OD1-CG 3.4Å; N43-M45 PolarHBondContact OD1-N 3.19Å; N43-M45 VanDerWaalsContact OD1-N 3.09Å; N43-Y46 HydrophobicContact CB-CD2 4Å; N43-Y46 HydrophobicContact CB-CE2 4.49Å; N43-Y46 PolarHBondContact O-N 3.39Å; N43-D47 PolarHBondContact O-N 2.91Å | ||
| 44 | I | 75.2 | Confident | 62.8 | Low | 114 Ų | 114 | 130.9 Ų | 130.9 | 59% | 0.585 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -56.4 | -24.3 | -177.7 | -161.5 | 166.4 | 0 | 0 | 0 | 111.6 | G42 Y46 D47 V50 R52 | G42-I44 PolarHBondContact O-N 3.04Å; I44-Y46 PolarHBondContact O-N 2.97Å; I44-D47 PolarHBondContact O-N 2.72Å; I44-V50 HydrophobicContact CD1-CG2 4.48Å; I44-V50 HydrophobicContact CG1-CG2 3.82Å; I44-R52 PolarHBondContact O-NH1 2.81Å |
| 45 | M | 68.5 | Low | 63.4 | Low | 113 Ų | 113 | 126.7 Ų | 126.7 | 56% | 0.557 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -64.8 | -11.9 | 172.6 | -66 | -71.6 | -79.8 | 0 | 0 | 114.2 | N43 R52 | N43-M45 PolarHBondContact O-N 2.8Å; N43-M45 VanDerWaalsContact OD1-CB 3.26Å; N43-M45 WeakPolarHBondContact OD1-CB 3.5Å; N43-M45 WeakPolarHBondContact OD1-CG 3.4Å; N43-M45 PolarHBondContact OD1-N 3.19Å; N43-M45 VanDerWaalsContact OD1-N 3.09Å; M45-R52 VanDerWaalsContact CA-NH1 3.3Å; M45-R52 PolarHBondContact O-NH1 2.92Å; M45-R52 PolarHBondContact O-NH2 3.18Å |
| 46 | Y | 66.8 | Low | 64.2 | Low | 187 Ų | 187 | 128.1 Ų | 128.1 | 73% | 0.733 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -125.2 | 2 | 175.6 | -56.3 | -66.5 | 0 | 0 | 0 | 113.2 | N43 I44 R48 | N43-Y46 HydrophobicContact CB-CD2 4Å; N43-Y46 HydrophobicContact CB-CE2 4.49Å; N43-Y46 PolarHBondContact O-N 3.39Å; I44-Y46 PolarHBondContact O-N 2.97Å; Y46-R48 PolarHBondContact O-N 3.34Å |
| 47 | D | 71 | Confident | 64.9 | Low | 66 Ų | 66 | 126 Ų | 126 | 35% | 0.353 | 63% | 0.632 | S | S | . | * | trans | -66.8 | 118.9 | 175.6 | -168.3 | -14.4 | 0 | 0 | 0 | 109.6 | N43 I44 R49 V50 | N43-D47 PolarHBondContact O-N 2.91Å; I44-D47 PolarHBondContact O-N 2.72Å; D47-R49 PolarHBondContact O-N 3.45Å; D47-R49 VanDerWaalsContact O-N 3.12Å; D47-R49 WeakPolarHBondContact OD1-CB 3.37Å; D47-R49 WeakPolarHBondContact OD1-CG 3.41Å; D47-R49 PolarHBondContact OD1-N 2.96Å; D47-V50 HydrophobicContact CB-CG2 4.11Å; D47-V50 PolarHBondContact O-N 3.06Å | ||
| 48 | R | 69.4 | Low | 65.4 | Low | 246 Ų | 246 | 124.6 Ų | 124.6 | 93% | 0.928 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -17.2 | -179.6 | -58.6 | -175 | -167.6 | -162.1 | 4.2 | 112.6 | Y46 V50 | Y46-R48 PolarHBondContact O-N 3.34Å; R48-V50 VanDerWaalsContact C-N 3.34Å |
| 49 | R | 71.7 | Confident | 65.9 | Low | 215 Ų | 215 | 125.8 Ų | 125.8 | 81% | 0.811 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -25.3 | 175.6 | -59.7 | 174.4 | -173.1 | -163.9 | 2.9 | 112.2 | D47 I51 | D47-R49 PolarHBondContact O-N 3.45Å; D47-R49 VanDerWaalsContact O-N 3.12Å; D47-R49 WeakPolarHBondContact OD1-CB 3.37Å; D47-R49 WeakPolarHBondContact OD1-CG 3.41Å; D47-R49 PolarHBondContact OD1-N 2.96Å; R49-I51 PolarHBondContact O-N 3.45Å |
| 50 | V | 73.1 | Confident | 66.1 | Low | 57 Ų | 57 | 128.9 Ų | 128.9 | 35% | 0.345 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -89.7 | 101.8 | -177.7 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | I44 D47 R48 R52 | I44-V50 HydrophobicContact CD1-CG2 4.48Å; I44-V50 HydrophobicContact CG1-CG2 3.82Å; D47-V50 HydrophobicContact CB-CG2 4.11Å; D47-V50 PolarHBondContact O-N 3.06Å; R48-V50 VanDerWaalsContact C-N 3.34Å; V50-R52 PolarHBondContact O-N 3.47Å |
| 51 | I | 69.5 | Low | 66.3 | Low | 104 Ų | 104 | 127.6 Ų | 127.6 | 53% | 0.533 | 64% | 0.637 | S | S | . | * | trans | -74.7 | 120.5 | 173.5 | -61.9 | 157.5 | 0 | 0 | 0 | 107.7 | R49 T55 L58 | R49-I51 PolarHBondContact O-N 3.45Å; I51-T55 HydrophobicContact CG2-CG2 4.11Å; I51-L58 HydrophobicContact CD1-CD1 3.7Å; I51-L58 HydrophobicContact CG1-CD1 4.37Å; I51-L58 HydrophobicContact CG2-CD1 3.77Å | ||
| 52 | R | 71.4 | Confident | 66.4 | Low | 138 Ų | 138 | 122.7 Ų | 122.7 | 52% | 0.521 | 63% | 0.629 | S | S | . | * | trans | -95.9 | 132.1 | 173.2 | -74.5 | 178.1 | -85 | -80.7 | -2.8 | 109.3 | I44 M45 V50 | I44-R52 PolarHBondContact O-NH1 2.81Å; M45-R52 VanDerWaalsContact CA-NH1 3.3Å; M45-R52 PolarHBondContact O-NH1 2.92Å; M45-R52 PolarHBondContact O-NH2 3.18Å; V50-R52 PolarHBondContact O-N 3.47Å | ||
| 53 | G | 73.6 | Confident | 66.1 | Low | 63 Ų | 63 | 124.7 Ų | 124.7 | 65% | 0.649 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 99.2 | -177.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | T55 | G53-T55 PolarHBondContact O-N 3.47Š|
| 54 | N | 74.7 | Confident | 65.6 | Low | 129 Ų | 129 | 129 Ų | 129 | 69% | 0.69 | 66% | 0.656 | S | S | * | * | trans | -70.9 | 119.6 | -169.1 | -147.4 | 15.1 | 0 | 0 | 0 | 111 | Y56 | N54-Y56 VanDerWaalsContact C-N 3.31Å; N54-Y56 PolarHBondContact O-N 3.5Å; N54-Y56 VanDerWaalsContact OD1-CD2 3.23Å; N54-Y56 WeakPolarHBondContact OD1-CD2 3.32Å | ||
| 55 | T | 61.6 | Low | 64.8 | Low | 81 Ų | 81 | 126 Ų | 126 | 50% | 0.497 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -79.9 | -9.4 | -174 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | I51 G53 A57 L58 | I51-T55 HydrophobicContact CG2-CG2 4.11Å; G53-T55 PolarHBondContact O-N 3.47Å; T55-A57 VanDerWaalsContact C-N 3.27Å; T55-A57 PolarHBondContact O-N 2.92Å; T55-L58 HydrophobicContact CG2-CD1 4.29Å; T55-L58 WeakPolarHBondContact O-CB 3.27Å; T55-L58 PolarHBondContact O-N 2.85Å; T55-L58 VanDerWaalsContact O-N 3.15Å |
| 56 | Y | 67.5 | Low | 64.3 | Low | 206 Ų | 206 | 128.7 Ų | 128.7 | 81% | 0.808 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -62.7 | -28.4 | -176.1 | -69.8 | -79.1 | 0 | 0 | 0 | 114.4 | N54 | N54-Y56 VanDerWaalsContact C-N 3.31Å; N54-Y56 PolarHBondContact O-N 3.5Å; N54-Y56 VanDerWaalsContact OD1-CD2 3.23Å; N54-Y56 WeakPolarHBondContact OD1-CD2 3.32Å |
| 57 | A | 61.5 | Low | 63.9 | Low | 85 Ų | 85 | 123.2 Ų | 123.2 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -90.5 | 0 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T55 H59 | T55-A57 VanDerWaalsContact C-N 3.27Å; T55-A57 PolarHBondContact O-N 2.92Å; A57-H59 PolarHBondContact O-N 2.8Å |
| 58 | L | 57.8 | Low | 63.8 | Low | 88 Ų | 88 | 125.2 Ų | 125.2 | 46% | 0.461 | 66% | 0.658 | S | S | . | * | trans | -73.5 | 95 | 175.5 | -75.2 | 170.2 | 0 | 0 | 0 | 108.9 | I51 T55 V60 | I51-L58 HydrophobicContact CD1-CD1 3.7Å; I51-L58 HydrophobicContact CG1-CD1 4.37Å; I51-L58 HydrophobicContact CG2-CD1 3.77Å; T55-L58 HydrophobicContact CG2-CD1 4.29Å; T55-L58 WeakPolarHBondContact O-CB 3.27Å; T55-L58 PolarHBondContact O-N 2.85Å; T55-L58 VanDerWaalsContact O-N 3.15Å; L58-V60 WeakPolarHBondContact O-CG2 3.01Å; L58-V60 PolarHBondContact O-N 3.49Å | ||
| 59 | H | 57.4 | Low | 63.9 | Low | 178 Ų | 178 | 118 Ų | 118 | 82% | 0.824 | 64% | 0.643 | S | S | * | * | trans | -60.9 | 86.9 | 159.6 | -84.6 | -94.9 | 0 | 0 | 0 | 108.3 | A57 L61 | A57-H59 PolarHBondContact O-N 2.8Å; H59-L61 VanDerWaalsContact C-N 3.26Å; H59-L61 PolarHBondContact O-N 2.9Å | ||
| 60 | V | 58.1 | Low | 64.1 | Low | 136 Ų | 136 | 114 Ų | 114 | 82% | 0.824 | 64% | 0.637 | S | S | * | * | trans | -69.4 | 92.6 | 163.7 | -121.7 | 0 | 0 | 0 | 0 | 105.6 | L58 | L58-V60 WeakPolarHBondContact O-CG2 3.01Å; L58-V60 PolarHBondContact O-N 3.49Å | ||
| 61 | L | 54.1 | Low | 64.2 | Low | 128 Ų | 128 | 116.7 Ų | 116.7 | 67% | 0.67 | 65% | 0.645 | S | S | * | * | trans | -56.9 | 139 | 166 | -71 | 172.5 | 0 | 0 | 0 | 107.8 | H59 A63 A65 | H59-L61 VanDerWaalsContact C-N 3.26Å; H59-L61 PolarHBondContact O-N 2.9Å; L61-A63 PolarHBondContact O-N 2.87Å; L61-A65 HydrophobicContact CB-CB 4.28Å | ||
| 62 | P | 58 | Low | 64.3 | Low | 94 Ų | 94 | 115.1 Ų | 115.1 | 61% | 0.61 | 64% | 0.637 | S | S | * | * | trans | -51.8 | 141.4 | 175.8 | -22.9 | 31 | 0 | 0 | 0 | 110 | H64 A65 | P62-H64 PolarHBondContact O-N 3.14Å; P62-A65 WeakPolarHBondContact O-CB 3.11Å; P62-A65 PolarHBondContact O-N 2.86Å | ||
| 63 | A | 58.8 | Low | 64.8 | Low | 105 Ų | 105 | 115.3 Ų | 115.3 | 87% | 0.868 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -2.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L61 | L61-A63 PolarHBondContact O-N 2.87Š|
| 64 | H | 58.3 | Low | 65.1 | Low | 175 Ų | 175 | 118.2 Ų | 118.2 | 81% | 0.81 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 2 | 178.9 | -57.9 | -27.1 | 0 | 0 | 0 | 113.9 | P62 Q66 | P62-H64 PolarHBondContact O-N 3.14Å; H64-Q66 PolarHBondContact O-N 3.23Å; H64-Q66 VanDerWaalsContact O-N 3.07Å |
| 65 | A | 58.4 | Low | 65.4 | Low | 52 Ų | 52 | 118.2 Ų | 118.2 | 43% | 0.43 | 64% | 0.635 | S | S | . | * | trans | -73.7 | 99.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109 | L61 P62 P67 | L61-A65 HydrophobicContact CB-CB 4.28Å; P62-A65 WeakPolarHBondContact O-CB 3.11Å; P62-A65 PolarHBondContact O-N 2.86Å; A65-P67 WeakPolarHBondContact O-CD 3.41Å | ||
| 66 | Q | 57.9 | Low | 66.4 | Low | 169 Ų | 169 | 119.5 Ų | 119.5 | 79% | 0.79 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 119.7 | 170.1 | -68.2 | -70.3 | -5.3 | 0 | 0 | 107.8 | H64 D68 | H64-Q66 PolarHBondContact O-N 3.23Å; H64-Q66 VanDerWaalsContact O-N 3.07Å; Q66-D68 PolarHBondContact O-N 2.95Å |
| 67 | P | 59 | Low | 67.2 | Low | 73 Ų | 73 | 115.2 Ų | 115.2 | 47% | 0.474 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 132.7 | 177.5 | 21.7 | -27.1 | 0 | 0 | 0 | 109.6 | A65 I72 | A65-P67 WeakPolarHBondContact O-CD 3.41Å; P67-I72 HydrophobicContact CB-CD1 4.29Å; P67-I72 HydrophobicContact CB-CG1 4.01Å; P67-I72 HydrophobicContact CG-CD1 3.95Å; P67-I72 HydrophobicContact CG-CG1 4.09Å |
| 68 | D | 69.3 | Low | 68.2 | Low | 108 Ų | 108 | 118.4 Ų | 118.4 | 58% | 0.578 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 138.1 | 178.6 | -79.7 | -32.1 | 0 | 0 | 0 | 110.2 | Q66 I70 E71 I72 | Q66-D68 PolarHBondContact O-N 2.95Å; D68-I70 PolarHBondContact O-N 3.2Å; D68-E71 PolarHBondContact O-N 3.36Å; D68-I72 PolarHBondContact O-N 2.77Å |
| 69 | P | 71.4 | Confident | 69.3 | Low | 94 Ų | 94 | 123.1 Ų | 123.1 | 61% | 0.61 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.8 | -27.6 | -173.9 | 20.9 | -32.4 | 0 | 0 | 0 | 113.4 | Q73 | P69-Q73 PolarHBondContact O-N 3.37Å; P69-Q73 VanDerWaalsContact O-N 3.09Å |
| 70 | I | 75.7 | Confident | 70.5 | Confident | 131 Ų | 131 | 123.7 Ų | 123.7 | 67% | 0.672 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.6 | -39.1 | 176.4 | -57.9 | 171.8 | 0 | 0 | 0 | 111.1 | D68 Q73 K74 | D68-I70 PolarHBondContact O-N 3.2Å; I70-Q73 PolarHBondContact O-N 2.87Å; I70-K74 WeakPolarHBondContact O-CB 3.49Å; I70-K74 PolarHBondContact O-N 3.01Å |
| 71 | E | 73.7 | Confident | 71.7 | Confident | 113 Ų | 113 | 120.9 Ų | 120.9 | 53% | 0.528 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.7 | -37.2 | 178.2 | -67.7 | -165.3 | 145 | 0 | 0 | 112 | D68 K74 Q75 | D68-E71 PolarHBondContact O-N 3.36Å; E71-K74 PolarHBondContact O-N 3.4Å; E71-Q75 WeakPolarHBondContact O-CB 3.49Å; E71-Q75 WeakPolarHBondContact O-CG 3.39Å; E71-Q75 PolarHBondContact O-N 3.35Å |
| 72 | I | 73.4 | Confident | 73.1 | Confident | 72 Ų | 72 | 121.5 Ų | 121.5 | 37% | 0.369 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.9 | -47.1 | 174.9 | -57.3 | 174.9 | 0 | 0 | 0 | 110 | P67 D68 K74 Q75 I76 | P67-I72 HydrophobicContact CB-CD1 4.29Å; P67-I72 HydrophobicContact CB-CG1 4.01Å; P67-I72 HydrophobicContact CG-CD1 3.95Å; P67-I72 HydrophobicContact CG-CG1 4.09Å; D68-I72 PolarHBondContact O-N 2.77Å; I72-K74 PolarHBondContact O-N 3.08Å; I72-Q75 PolarHBondContact O-N 2.79Å; I72-I76 HydrophobicContact CG2-CD1 3.97Å; I72-I76 VanDerWaalsContact O-CG1 3.3Å; I72-I76 WeakPolarHBondContact O-CG1 3.46Å; I72-I76 PolarHBondContact O-N 3.29Å |
| 73 | Q | 81.1 | Confident | 74.4 | Confident | 141 Ų | 141 | 120.6 Ų | 120.6 | 66% | 0.659 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60 | -45.5 | 175.7 | -110.1 | 171.1 | -2.1 | 0 | 0 | 111.8 | P69 I70 Q75 I76 E77 | P69-Q73 PolarHBondContact O-N 3.37Å; P69-Q73 VanDerWaalsContact O-N 3.09Å; I70-Q73 PolarHBondContact O-N 2.87Å; Q73-Q75 VanDerWaalsContact C-N 3.28Å; Q73-Q75 PolarHBondContact O-N 2.95Å; Q73-I76 PolarHBondContact O-N 3.35Å; Q73-E77 WeakPolarHBondContact O-CB 3.4Å; Q73-E77 PolarHBondContact O-N 3.49Å |
| 74 | K | 79.9 | Confident | 75.7 | Confident | 125 Ų | 125 | 117.9 Ų | 117.9 | 54% | 0.543 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.1 | -30.3 | 177.5 | -163.4 | 173.6 | -174.3 | 175 | 0 | 112.7 | I70 E71 I72 R78 | I70-K74 WeakPolarHBondContact O-CB 3.49Å; I70-K74 PolarHBondContact O-N 3.01Å; E71-K74 PolarHBondContact O-N 3.4Å; I72-K74 PolarHBondContact O-N 3.08Å; K74-R78 VanDerWaalsContact O-CB 3.28Å; K74-R78 WeakPolarHBondContact O-CB 3.32Å; K74-R78 VanDerWaalsContact O-CG 3.32Å; K74-R78 WeakPolarHBondContact O-CG 3.19Å; K74-R78 PolarHBondContact O-N 3.32Å; K74-R78 PolarHBondContact O-NE 2.99Å |
| 75 | Q | 81.1 | Confident | 76.9 | Confident | 128 Ų | 128 | 118.8 Ų | 118.8 | 60% | 0.598 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.3 | -44 | 171.7 | -82.6 | -171.5 | 5.4 | 0 | 0 | 111.8 | E71 I72 Q73 E77 R78 R79 | E71-Q75 WeakPolarHBondContact O-CB 3.49Å; E71-Q75 WeakPolarHBondContact O-CG 3.39Å; E71-Q75 PolarHBondContact O-N 3.35Å; I72-Q75 PolarHBondContact O-N 2.79Å; Q73-Q75 VanDerWaalsContact C-N 3.28Å; Q73-Q75 PolarHBondContact O-N 2.95Å; Q75-E77 VanDerWaalsContact C-N 3.34Å; Q75-R78 PolarHBondContact O-N 3.47Å; Q75-R79 VanDerWaalsContact O-CB 3.31Å; Q75-R79 WeakPolarHBondContact O-CB 3.33Å; Q75-R79 PolarHBondContact O-N 2.96Å |
| 76 | I | 81.8 | Confident | 78 | Confident | 108 Ų | 108 | 123.2 Ų | 123.2 | 55% | 0.554 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.6 | -46.1 | 176.5 | -67.6 | 165 | 0 | 0 | 0 | 110.1 | I72 Q73 R79 R80 | I72-I76 HydrophobicContact CG2-CD1 3.97Å; I72-I76 VanDerWaalsContact O-CG1 3.3Å; I72-I76 WeakPolarHBondContact O-CG1 3.46Å; I72-I76 PolarHBondContact O-N 3.29Å; Q73-I76 PolarHBondContact O-N 3.35Å; I76-R79 WeakPolarHBondContact O-CB 3.43Å; I76-R79 PolarHBondContact O-N 3.19Å; I76-R80 WeakPolarHBondContact O-CB 3.36Å; I76-R80 PolarHBondContact O-N 3.31Å |
| 77 | E | 84.7 | Confident | 79.2 | Confident | 117 Ų | 117 | 122.9 Ų | 122.9 | 55% | 0.547 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.4 | -44.4 | 178.9 | -166.7 | -177.5 | -168.7 | 0 | 0 | 111.9 | Q73 Q75 R79 R80 N81 | Q73-E77 WeakPolarHBondContact O-CB 3.4Å; Q73-E77 PolarHBondContact O-N 3.49Å; Q75-E77 VanDerWaalsContact C-N 3.34Å; E77-R79 VanDerWaalsContact C-N 3.28Å; E77-R79 PolarHBondContact O-N 3.48Å; E77-R80 PolarHBondContact O-N 2.95Å; E77-N81 WeakPolarHBondContact O-CB 3.42Å; E77-N81 PolarHBondContact O-N 3.46Å |
| 78 | R | 82.2 | Confident | 80 | Confident | 151 Ų | 151 | 124.7 Ų | 124.7 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -57.7 | -41 | 172.3 | -85.8 | -173.6 | -86 | 179.1 | -7.8 | 112 | K74 Q75 N81 F82 | K74-R78 VanDerWaalsContact O-CB 3.28Å; K74-R78 WeakPolarHBondContact O-CB 3.32Å; K74-R78 VanDerWaalsContact O-CG 3.32Å; K74-R78 WeakPolarHBondContact O-CG 3.19Å; K74-R78 PolarHBondContact O-N 3.32Å; K74-R78 PolarHBondContact O-NE 2.99Å; Q75-R78 PolarHBondContact O-N 3.47Å; R78-N81 PolarHBondContact O-N 2.93Å; R78-F82 VanDerWaalsContact O-CB 3.31Å; R78-F82 WeakPolarHBondContact O-CB 3.47Å; R78-F82 PolarHBondContact O-N 3.17Å |
| 79 | R | 80.8 | Confident | 80.5 | Confident | 188 Ų | 188 | 128.2 Ų | 128.2 | 71% | 0.709 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67 | -41.6 | 178.4 | -158.7 | 172.6 | -170 | 156.5 | 1 | 111.5 | Q75 I76 E77 F82 I83 | Q75-R79 VanDerWaalsContact O-CB 3.31Å; Q75-R79 WeakPolarHBondContact O-CB 3.33Å; Q75-R79 PolarHBondContact O-N 2.96Å; I76-R79 WeakPolarHBondContact O-CB 3.43Å; I76-R79 PolarHBondContact O-N 3.19Å; E77-R79 VanDerWaalsContact C-N 3.28Å; E77-R79 PolarHBondContact O-N 3.48Å; R79-F82 PolarHBondContact O-N 2.91Å; R79-I83 HydrophobicContact CG-CD1 4.48Å; R79-I83 WeakPolarHBondContact O-CD1 3.23Å; R79-I83 VanDerWaalsContact O-CG1 3.27Å; R79-I83 WeakPolarHBondContact O-CG1 3.19Å; R79-I83 PolarHBondContact O-N 3.39Å |
| 80 | R | 83.7 | Confident | 80.7 | Confident | 189 Ų | 189 | 128.6 Ų | 128.6 | 71% | 0.713 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.2 | -47.8 | 173.9 | 179.1 | -178.7 | 145.9 | 171.1 | -5.2 | 111.5 | I76 E77 F82 I83 A84 | I76-R80 WeakPolarHBondContact O-CB 3.36Å; I76-R80 PolarHBondContact O-N 3.31Å; E77-R80 PolarHBondContact O-N 2.95Å; R80-F82 VanDerWaalsContact C-N 3.34Å; R80-F82 PolarHBondContact O-N 3.39Å; R80-I83 PolarHBondContact O-N 2.97Å; R80-A84 WeakPolarHBondContact O-CB 3.32Å; R80-A84 PolarHBondContact O-N 3.46Å |
| 81 | N | 82 | Confident | 80.8 | Confident | 77 Ų | 77 | 128.8 Ų | 128.8 | 41% | 0.412 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.4 | -37.6 | 178.3 | -73.9 | -10 | 0 | 0 | 0 | 112.2 | E77 R78 A84 R85 | E77-N81 WeakPolarHBondContact O-CB 3.42Å; E77-N81 PolarHBondContact O-N 3.46Å; R78-N81 PolarHBondContact O-N 2.93Å; N81-A84 PolarHBondContact O-N 2.87Å; N81-R85 WeakPolarHBondContact O-CB 3.25Å; N81-R85 WeakPolarHBondContact O-CG 3.25Å; N81-R85 PolarHBondContact O-N 3Å |
| 82 | F | 83.5 | Confident | 80.8 | Confident | 142 Ų | 142 | 130.1 Ų | 130.1 | 62% | 0.623 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.8 | -45.3 | 174.4 | -178.5 | -97.3 | 0 | 0 | 0 | 112.1 | R78 R79 R80 R85 R86 | R78-F82 VanDerWaalsContact O-CB 3.31Å; R78-F82 WeakPolarHBondContact O-CB 3.47Å; R78-F82 PolarHBondContact O-N 3.17Å; R79-F82 PolarHBondContact O-N 2.91Å; R80-F82 VanDerWaalsContact C-N 3.34Å; R80-F82 PolarHBondContact O-N 3.39Å; F82-R85 PolarHBondContact O-N 2.95Å; F82-R86 PolarHBondContact O-N 3.46Å |
| 83 | I | 85.2 | Confident | 80.8 | Confident | 74 Ų | 74 | 134.9 Ų | 134.9 | 38% | 0.379 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.1 | -43.2 | 176.5 | -67.2 | 164.6 | 0 | 0 | 0 | 110.9 | R79 R80 R86 R87 | R79-I83 HydrophobicContact CG-CD1 4.48Å; R79-I83 WeakPolarHBondContact O-CD1 3.23Å; R79-I83 VanDerWaalsContact O-CG1 3.27Å; R79-I83 WeakPolarHBondContact O-CG1 3.19Å; R79-I83 PolarHBondContact O-N 3.39Å; R80-I83 PolarHBondContact O-N 2.97Å; I83-R86 PolarHBondContact O-N 3.27Å; I83-R87 PolarHBondContact O-N 3.44Å; I83-R87 VanDerWaalsContact O-N 3.09Å |
| 84 | A | 86.8 | Confident | 80.4 | Confident | 48 Ų | 48 | 134.4 Ų | 134.4 | 40% | 0.397 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.9 | -44.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R80 N81 R86 R87 M88 | R80-A84 WeakPolarHBondContact O-CB 3.32Å; R80-A84 PolarHBondContact O-N 3.46Å; N81-A84 PolarHBondContact O-N 2.87Å; A84-R86 VanDerWaalsContact C-N 3.3Å; A84-R86 PolarHBondContact O-N 2.98Å; A84-R87 PolarHBondContact O-N 3.34Å; A84-M88 PolarHBondContact O-N 3.48Å |
| 85 | R | 84.3 | Confident | 79.9 | Confident | 195 Ų | 195 | 136.5 Ų | 136.5 | 74% | 0.736 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.3 | -36.1 | 175.1 | -75 | 180 | 178.7 | -173.5 | -0.9 | 112.5 | N81 F82 R89 | N81-R85 WeakPolarHBondContact O-CB 3.25Å; N81-R85 WeakPolarHBondContact O-CG 3.25Å; N81-R85 PolarHBondContact O-N 3Å; F82-R85 PolarHBondContact O-N 2.95Å; R85-R89 WeakPolarHBondContact O-CB 3.41Å; R85-R89 PolarHBondContact O-N 2.92Å |
| 86 | R | 81.2 | Confident | 79.7 | Confident | 145 Ų | 145 | 134.1 Ų | 134.1 | 55% | 0.547 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.1 | -43.9 | 176.3 | -159.6 | -176 | 86 | -170.3 | 1.1 | 111.6 | F82 I83 A84 R89 E90 | F82-R86 PolarHBondContact O-N 3.46Å; I83-R86 PolarHBondContact O-N 3.27Å; A84-R86 VanDerWaalsContact C-N 3.3Å; A84-R86 PolarHBondContact O-N 2.98Å; R86-R89 PolarHBondContact O-N 3.48Å; R86-E90 IonicContact NE-OE1 3.85Å; R86-E90 PolarHBondContact NE-OE1 3.5Å; R86-E90 PolarHBondContact O-N 2.99Å |
| 87 | R | 82.2 | Confident | 79.5 | Confident | 161 Ų | 161 | 134.2 Ų | 134.2 | 61% | 0.608 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.8 | -48.7 | 175.8 | -71.7 | -179.1 | -179.3 | 173.6 | -1.1 | 112.2 | I83 A84 R89 E90 E91 | I83-R87 PolarHBondContact O-N 3.44Å; I83-R87 VanDerWaalsContact O-N 3.09Å; A84-R87 PolarHBondContact O-N 3.34Å; R87-R89 VanDerWaalsContact C-N 3.28Å; R87-R89 PolarHBondContact O-N 3.44Å; R87-E90 PolarHBondContact O-N 2.89Å; R87-E90 VanDerWaalsContact O-N 3.1Å; R87-E91 PolarHBondContact O-N 3.42Å |
| 88 | M | 77.2 | Confident | 79.1 | Confident | 112 Ų | 112 | 136.3 Ų | 136.3 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -56.9 | -40.9 | 175.6 | -79.2 | -71.5 | -69.2 | 0 | 0 | 112.4 | A84 E91 L92 | A84-M88 PolarHBondContact O-N 3.48Å; M88-E91 PolarHBondContact O-N 3.39Å; M88-L92 PolarHBondContact O-N 3.03Å; M88-L92 VanDerWaalsContact O-N 3.09Å |
| 89 | R | 78.2 | Confident | 78.9 | Confident | 181 Ų | 181 | 132.1 Ų | 132.1 | 68% | 0.683 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.3 | -34.2 | 177.4 | -174.5 | 179.4 | -72.8 | 172.9 | -5.4 | 112.7 | R85 R86 R87 E91 | R85-R89 WeakPolarHBondContact O-CB 3.41Å; R85-R89 PolarHBondContact O-N 2.92Å; R86-R89 PolarHBondContact O-N 3.48Å; R87-R89 VanDerWaalsContact C-N 3.28Å; R87-R89 PolarHBondContact O-N 3.44Å; R89-E91 VanDerWaalsContact C-N 3.35Å |
| 90 | E | 76.2 | Confident | 78.9 | Confident | 103 Ų | 103 | 128.9 Ų | 128.9 | 48% | 0.481 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.7 | -32 | 174.1 | -80.6 | 167.5 | -163.6 | 0 | 0 | 111.9 | R86 R87 | R86-E90 IonicContact NE-OE1 3.85Å; R86-E90 PolarHBondContact NE-OE1 3.5Å; R86-E90 PolarHBondContact O-N 2.99Å; R87-E90 PolarHBondContact O-N 2.89Å; R87-E90 VanDerWaalsContact O-N 3.1Å |
| 91 | E | 77.3 | Confident | 78.8 | Confident | 135 Ų | 135 | 128.4 Ų | 128.4 | 63% | 0.631 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -75.6 | -35 | 176.8 | -73.3 | 173.4 | -172.3 | 0 | 0 | 113.5 | R87 M88 R89 R93 | R87-E91 PolarHBondContact O-N 3.42Å; M88-E91 PolarHBondContact O-N 3.39Å; R89-E91 VanDerWaalsContact C-N 3.35Å; E91-R93 VanDerWaalsContact C-N 3.26Å; E91-R93 PolarHBondContact O-N 2.9Å |
| 92 | L | 74.8 | Confident | 78.8 | Confident | 140 Ų | 140 | 129 Ų | 129 | 73% | 0.733 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -72.7 | -14.5 | 178.1 | -110 | 119.1 | 0 | 0 | 0 | 114.3 | M88 | M88-L92 PolarHBondContact O-N 3.03Å; M88-L92 VanDerWaalsContact O-N 3.09Å |
| 93 | R | 73.1 | Confident | 78.7 | Confident | 172 Ų | 172 | 130.6 Ų | 130.6 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -75.4 | 126.7 | 178.7 | -78.1 | 178.5 | 167.7 | -163.9 | -6.7 | 109.3 | E91 K95 | E91-R93 VanDerWaalsContact C-N 3.26Å; E91-R93 PolarHBondContact O-N 2.9Å; R93-K95 PolarHBondContact O-N 3.26Å |
| 94 | P | 72.3 | Confident | 78.5 | Confident | 131 Ų | 131 | 135 Ų | 135 | 85% | 0.851 | 67% | 0.674 | S | S | * | * | trans | -58 | 113.5 | 172.8 | 23.9 | -31.7 | 0 | 0 | 0 | 108.1 | ||||
| 95 | K | 70.2 | Confident | 78 | Confident | 169 Ų | 169 | 137.7 Ų | 137.7 | 74% | 0.735 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 130 | 178.3 | -67 | 179.7 | -178 | 173.7 | 0 | 107.5 | R93 | R93-K95 PolarHBondContact O-N 3.26Š|
| 96 | S | 75.3 | Confident | 77.8 | Confident | 79 Ų | 79 | 135.8 Ų | 135.8 | 55% | 0.552 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -54 | 147.2 | 161.6 | 57.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 97 | P | 77.8 | Confident | 77.7 | Confident | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 155.5 | 177.7 | 22.1 | -33 | 0 | 0 | 0 | 111.6 | H105 | P97-H105 PolarHBondContact O-CE1 3.18Å; P97-H105 PolarHBondContact O-NE2 2.88Å |
| 98 | L | 77.6 | Confident | 77.6 | Confident | 162 Ų | 162 | 131.9 Ų | 131.9 | 85% | 0.848 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 144.3 | 179.5 | -72.1 | 166.8 | 0 | 0 | 0 | 110.7 | ||
| 99 | P | 77.4 | Confident | 77.8 | Confident | 62 Ų | 62 | 132.3 Ų | 132.3 | 40% | 0.403 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 145.8 | 170.4 | 21.2 | -29.9 | 0 | 0 | 0 | 110.7 | R103 H105 | P99-R103 VanDerWaalsContact CB-O 3.27Å; P99-R103 WeakPolarHBondContact CB-O 3.24Å; P99-H105 WeakPolarHBondContact CA-NE2 3.33Å |
| 100 | L | 80 | Confident | 77.7 | Confident | 121 Ų | 121 | 130.2 Ų | 130.2 | 63% | 0.634 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 149.8 | 168.2 | -65.2 | 168.4 | 0 | 0 | 0 | 110.3 | G102 R103 | L100-G102 PolarHBondContact O-N 3.42Å; L100-R103 PolarHBondContact O-N 2.87Å |
| 101 | D | 82.8 | Confident | 78 | Confident | 178 Ų | 178 | 132.1 Ų | 132.1 | 95% | 0.952 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | 126.7 | 178.9 | -109.3 | -8.3 | 0 | 0 | 0 | 111.1 | ||
| 102 | G | 82.7 | Confident | 78.3 | Confident | 89 Ų | 89 | 133.5 Ų | 133.5 | 92% | 0.918 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82 | 2.9 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | L100 | L100-G102 PolarHBondContact O-N 3.42Š|
| 103 | R | 81.2 | Confident | 78.5 | Confident | 176 Ų | 176 | 134 Ų | 134 | 66% | 0.664 | 71% | 0.711 | S | S | * | * | trans | -114.4 | 146.7 | 175.3 | -65.2 | -174.7 | -178 | 171.2 | 0.9 | 112 | P99 L100 | P99-R103 VanDerWaalsContact CB-O 3.27Å; P99-R103 WeakPolarHBondContact CB-O 3.24Å; L100-R103 PolarHBondContact O-N 2.87Å | ||
| 104 | L | 79.5 | Confident | 78.9 | Confident | 168 Ų | 168 | 133 Ų | 133 | 88% | 0.88 | 72% | 0.718 | S | S | * | * | trans | -105.3 | 139.9 | 171.7 | -64.9 | 173.1 | 0 | 0 | 0 | 109.2 | Q106 | L104-Q106 PolarHBondContact O-N 2.93Š| ||
| 105 | H | 77.1 | Confident | 79.3 | Confident | 104 Ų | 104 | 133.2 Ų | 133.2 | 48% | 0.481 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 125.8 | 169.9 | -82.6 | -155 | 0 | 0 | 0 | 109.8 | P97 P99 | P97-H105 PolarHBondContact O-CE1 3.18Å; P97-H105 PolarHBondContact O-NE2 2.88Å; P99-H105 WeakPolarHBondContact CA-NE2 3.33Å |
| 106 | Q | 79.9 | Confident | 79.7 | Confident | 155 Ų | 155 | 129.6 Ų | 129.6 | 72% | 0.724 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 128.1 | 169.2 | -173.1 | 65.1 | 19.8 | 0 | 0 | 108.4 | L104 V108 | L104-Q106 PolarHBondContact O-N 2.93Å; Q106-V108 PolarHBondContact O-N 3.22Å |
| 107 | P | 78.9 | Confident | 80 | Confident | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -65 | 119.7 | 170.9 | 27.2 | -32.8 | 0 | 0 | 0 | 108.8 | ||
| 108 | V | 81 | Confident | 80 | Confident | 111 Ų | 111 | 133.4 Ų | 133.4 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | trans | -104.4 | 143.6 | 170.3 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | Q106 T110 | Q106-V108 PolarHBondContact O-N 3.22Å; V108-T110 PolarHBondContact O-N 3.28Å | ||
| 109 | Q | 80.2 | Confident | 80.2 | Confident | 121 Ų | 121 | 135.1 Ų | 135.1 | 57% | 0.565 | 72% | 0.724 | S | S | * | * | trans | -68 | 102.9 | 174.9 | -169 | 162.6 | 1.3 | 0 | 0 | 108.8 | E111 | Q109-E111 HydrophobicContact CG-CG 3.95Š| ||
| 110 | T | 77 | Confident | 80.4 | Confident | 137 Ų | 137 | 140.3 Ų | 140.3 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | trans | -102.4 | -1.3 | -180 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | V108 | V108-T110 PolarHBondContact O-N 3.28Š| ||
| 111 | E | 82.5 | Confident | 80.3 | Confident | 144 Ų | 144 | 141.6 Ų | 141.6 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -81.2 | 151.5 | 173.2 | 60.4 | -167.9 | -171.6 | 0 | 0 | 110.4 | Q109 Y113 | Q109-E111 HydrophobicContact CG-CG 3.95Å; E111-Y113 PolarHBondContact O-N 3.18Å |
| 112 | L | 82.7 | Confident | 80.2 | Confident | 163 Ų | 163 | 142.3 Ų | 142.3 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -62.2 | 104.9 | 173.1 | -91.6 | 149.1 | 0 | 0 | 0 | 109 | ||||
| 113 | Y | 80 | Confident | 80.3 | Confident | 151 Ų | 151 | 146.8 Ų | 146.8 | 59% | 0.592 | 74% | 0.743 | S | S | * | * | trans | -101.8 | 98.6 | 171.6 | -169.2 | -106.8 | 0 | 0 | 0 | 108.5 | E111 E115 | E111-Y113 PolarHBondContact O-N 3.18Å; Y113-E115 HydrophobicContact CD1-CG 3.79Å; Y113-E115 HydrophobicContact CE1-CG 3.34Å; Y113-E115 WeakPolarHBondContact CE1-OE1 3.24Å | ||
| 114 | L | 81.1 | Confident | 80.3 | Confident | 152 Ų | 152 | 142.6 Ų | 142.6 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | -93 | 105.6 | 176 | -66.2 | 172.6 | 0 | 0 | 0 | 108.4 | A116 | L114-A116 PolarHBondContact O-N 3.26Š| ||
| 115 | E | 79.9 | Confident | 80.4 | Confident | 135 Ų | 135 | 142.1 Ų | 142.1 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | trans | -75.8 | 112.9 | 166.9 | -68.9 | -178.8 | 175.1 | 0 | 0 | 108.3 | Y113 L117 | Y113-E115 HydrophobicContact CD1-CG 3.79Å; Y113-E115 HydrophobicContact CE1-CG 3.34Å; Y113-E115 WeakPolarHBondContact CE1-OE1 3.24Å; E115-L117 PolarHBondContact O-N 3.25Å; E115-L117 VanDerWaalsContact O-N 3.08Å | ||
| 116 | A | 80.4 | Confident | 80.7 | Confident | 93 Ų | 93 | 145.9 Ų | 145.9 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -71.9 | 101.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | L114 T118 | L114-A116 PolarHBondContact O-N 3.26Å; A116-T118 PolarHBondContact O-N 3.14Å | ||
| 117 | L | 80.4 | Confident | 80.7 | Confident | 161 Ų | 161 | 145 Ų | 145 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -75.8 | 109 | 170.8 | -60.2 | 178.1 | 0 | 0 | 0 | 108 | E115 | E115-L117 PolarHBondContact O-N 3.25Å; E115-L117 VanDerWaalsContact O-N 3.08Å | ||
| 118 | T | 79 | Confident | 80.4 | Confident | 107 Ų | 107 | 144.9 Ų | 144.9 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | trans | -95.8 | 131.9 | 169.6 | 51.3 | 0 | 0 | 0 | 0 | 109.2 | A116 Q120 | A116-T118 PolarHBondContact O-N 3.14Å; T118-Q120 PolarHBondContact O-N 3.36Å | ||
| 119 | E | 80.1 | Confident | 80.3 | Confident | 197 Ų | 197 | 148.1 Ų | 148.1 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -67.7 | -15.2 | 174.8 | -67.9 | -178.2 | 165.6 | 0 | 0 | 112.9 | I121 | E119-I121 PolarHBondContact O-N 2.94Š|
| 120 | Q | 81.6 | Confident | 79.7 | Confident | 172 Ų | 172 | 148 Ų | 148 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -73.4 | 112.3 | 175.5 | -67.4 | -174.2 | -8 | 0 | 0 | 110.5 | T118 | T118-Q120 PolarHBondContact O-N 3.36Š| ||
| 121 | I | 79.2 | Confident | 79.8 | Confident | 148 Ų | 148 | 147.7 Ų | 147.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -85.1 | 137.9 | 171.5 | -57.3 | 171.9 | 0 | 0 | 0 | 107.6 | E119 E123 | E119-I121 PolarHBondContact O-N 2.94Å; I121-E123 PolarHBondContact O-N 3.16Å | ||
| 122 | E | 80.6 | Confident | 79.5 | Confident | 193 Ų | 193 | 147.9 Ų | 147.9 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -66.5 | 104.8 | 172.3 | -66.6 | -175.5 | 161.2 | 0 | 0 | 109.6 | ||||
| 123 | E | 83.7 | Confident | 78.9 | Confident | 182 Ų | 182 | 149.7 Ų | 149.7 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -82 | 122.1 | 173.8 | -65.1 | -179.6 | 171.2 | 0 | 0 | 109.5 | I121 | I121-E123 PolarHBondContact O-N 3.16Š| ||
| 124 | A | 82.2 | Confident | 78.9 | Confident | 89 Ų | 89 | 149.8 Ų | 149.8 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -111.6 | 113.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | E126 | A124-E126 PolarHBondContact O-N 3.24Š| ||
| 125 | D | 80.5 | Confident | 78.8 | Confident | 157 Ų | 157 | 149.6 Ų | 149.6 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -74.7 | 107.4 | 175.6 | -71.8 | -32.9 | 0 | 0 | 0 | 110.3 | ||||
| 126 | E | 83.4 | Confident | 78.9 | Confident | 184 Ų | 184 | 152.6 Ų | 152.6 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92 | 119 | 167.6 | -64.5 | -158.7 | 170.2 | 0 | 0 | 109.8 | A124 | A124-E126 PolarHBondContact O-N 3.24Š|
| 127 | T | 80.8 | Confident | 79 | Confident | 136 Ų | 136 | 153.1 Ų | 153.1 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 128.1 | 175.4 | 53.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 128 | C | 72.9 | Confident | 79.2 | Confident | 109 Ų | 109 | 151.2 Ų | 151.2 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 118.5 | 173.4 | -60.6 | 0 | 0 | 0 | 0 | 109.5 | T130 | C128-T130 HydrophobicContact CB-CG2 4.42Å; C128-T130 PolarHBondContact O-N 2.94Å |
| 129 | Q | 78.2 | Confident | 79.4 | Confident | 180 Ų | 180 | 150.2 Ų | 150.2 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -68 | 87.8 | 163.2 | -175.6 | -176.3 | -21.7 | 0 | 0 | 107.7 | ||||
| 130 | T | 67.8 | Low | 79.5 | Confident | 118 Ų | 118 | 146.6 Ų | 146.6 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | -85.3 | 113.5 | 167 | 39.4 | 0 | 0 | 0 | 0 | 106.4 | C128 D132 | C128-T130 HydrophobicContact CB-CG2 4.42Å; C128-T130 PolarHBondContact O-N 2.94Å; T130-D132 PolarHBondContact O-N 3.39Å | ||
| 131 | D | 78.5 | Confident | 79.4 | Confident | 131 Ų | 131 | 146.2 Ų | 146.2 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -57.5 | 139.7 | 173.9 | -72.8 | -21.1 | 0 | 0 | 0 | 109.2 | F133 | D131-F133 PolarHBondContact O-N 3.41Š| ||
| 132 | D | 75.9 | Confident | 79.2 | Confident | 148 Ų | 148 | 148.1 Ų | 148.1 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -54.3 | 124.9 | 177.5 | -70.8 | -39.4 | 0 | 0 | 0 | 109.6 | T130 L134 | T130-D132 PolarHBondContact O-N 3.39Å; D132-L134 VanDerWaalsContact C-N 3.29Å; D132-L134 PolarHBondContact O-N 3.12Å | ||
| 133 | F | 71 | Confident | 79.1 | Confident | 201 Ų | 201 | 144.6 Ų | 144.6 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 88 | 179.7 | -160.5 | -96.7 | 0 | 0 | 0 | 109 | D131 D135 | D131-F133 PolarHBondContact O-N 3.41Å; F133-D135 PolarHBondContact O-N 3.35Å | ||
| 134 | L | 79.9 | Confident | 78.8 | Confident | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 129.7 | 176.8 | -68 | 177 | 0 | 0 | 0 | 109.3 | D132 R136 | D132-L134 VanDerWaalsContact C-N 3.29Å; D132-L134 PolarHBondContact O-N 3.12Å; L134-R136 PolarHBondContact O-N 2.83Å; L134-R136 VanDerWaalsContact O-N 3.14Å |
| 135 | D | 78.1 | Confident | 78.3 | Confident | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55 | 123.9 | 175.5 | -84.2 | -31.8 | 0 | 0 | 0 | 109.6 | F133 P137 | F133-D135 PolarHBondContact O-N 3.35Å; D135-P137 WeakPolarHBondContact O-CD 3.48Å; D135-P137 VanDerWaalsContact O-N 3.11Å |
| 136 | R | 82.6 | Confident | 77.6 | Confident | 199 Ų | 199 | 141.7 Ų | 141.7 | 75% | 0.751 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 122.1 | 175.4 | 179.1 | 174.2 | 178.4 | -121.2 | 4 | 107.6 | L134 T139 | L134-R136 PolarHBondContact O-N 2.83Å; L134-R136 VanDerWaalsContact O-N 3.14Å; R136-T139 VanDerWaalsContact CZ-CG2 3.44Å; R136-T139 VanDerWaalsContact NH1-CG2 3.26Å; R136-T139 VanDerWaalsContact NH2-CG2 3.27Å |
| 137 | P | 83.3 | Confident | 76.5 | Confident | 103 Ų | 103 | 138.5 Ų | 138.5 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 145.9 | 178.1 | 20.8 | -31.7 | 0 | 0 | 0 | 109.7 | D135 T139 | D135-P137 WeakPolarHBondContact O-CD 3.48Å; D135-P137 VanDerWaalsContact O-N 3.11Å; P137-T139 PolarHBondContact O-N 2.88Å |
| 138 | P | 84.5 | Confident | 75.7 | Confident | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 129.3 | -178.9 | 21.9 | -32.7 | 0 | 0 | 0 | 109.1 | P140 | P138-P140 WeakPolarHBondContact O-CD 3.29Å; P138-P140 VanDerWaalsContact O-N 3.12Å |
| 139 | T | 81.9 | Confident | 75.2 | Confident | 85 Ų | 85 | 135.3 Ų | 135.3 | 52% | 0.521 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 121.5 | 178.4 | 45.4 | 0 | 0 | 0 | 0 | 108.4 | R136 P137 L141 | R136-T139 VanDerWaalsContact CZ-CG2 3.44Å; R136-T139 VanDerWaalsContact NH1-CG2 3.26Å; R136-T139 VanDerWaalsContact NH2-CG2 3.27Å; P137-T139 PolarHBondContact O-N 2.88Å; T139-L141 PolarHBondContact O-N 3.04Å |
| 140 | P | 82 | Confident | 74.5 | Confident | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 145 | 176.4 | 23.5 | -32.5 | 0 | 0 | 0 | 109.1 | P138 Y142 | P138-P140 WeakPolarHBondContact O-CD 3.29Å; P138-P140 VanDerWaalsContact O-N 3.12Å; P140-Y142 PolarHBondContact O-N 3.06Å; P140-Y142 VanDerWaalsContact O-N 3.16Å |
| 141 | L | 80 | Confident | 74.4 | Confident | 165 Ų | 165 | 134.2 Ų | 134.2 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 124.4 | 177.4 | -71.7 | 167.5 | 0 | 0 | 0 | 109 | T139 V143 | T139-L141 PolarHBondContact O-N 3.04Å; L141-V143 PolarHBondContact O-N 3.44Å |
| 142 | Y | 75.5 | Confident | 74 | Confident | 187 Ų | 187 | 135 Ų | 135 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -62.6 | 103.7 | 176.4 | 174.8 | -104.6 | 0 | 0 | 0 | 108.9 | P140 P144 | P140-Y142 PolarHBondContact O-N 3.06Å; P140-Y142 VanDerWaalsContact O-N 3.16Å; Y142-P144 HydrophobicContact CE1-CB 3.71Å; Y142-P144 HydrophobicContact CE1-CG 4.14Å; Y142-P144 VanDerWaalsContact O-CD 3.32Å; Y142-P144 WeakPolarHBondContact O-CD 3.38Å | ||
| 143 | V | 79.5 | Confident | 73.7 | Confident | 120 Ų | 120 | 132.9 Ų | 132.9 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -90.3 | 108.6 | 165.1 | -176.2 | 0 | 0 | 0 | 0 | 105.4 | L141 A145 | L141-V143 PolarHBondContact O-N 3.44Å; V143-A145 PolarHBondContact O-N 3.26Å | ||
| 144 | P | 76.1 | Confident | 73.8 | Confident | 83 Ų | 83 | 130.2 Ų | 130.2 | 54% | 0.539 | 72% | 0.72 | S | S | . | * | trans | -59.1 | 110.5 | 171.3 | 21.1 | -27.9 | 0 | 0 | 0 | 107.3 | Y142 | Y142-P144 HydrophobicContact CE1-CB 3.71Å; Y142-P144 HydrophobicContact CE1-CG 4.14Å; Y142-P144 VanDerWaalsContact O-CD 3.32Å; Y142-P144 WeakPolarHBondContact O-CD 3.38Å | ||
| 145 | A | 72.7 | Confident | 73.7 | Confident | 69 Ų | 69 | 127.6 Ų | 127.6 | 57% | 0.57 | 71% | 0.705 | S | S | * | * | trans | -56.4 | 159.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | V143 V147 | V143-A145 PolarHBondContact O-N 3.26Å; A145-V147 HydrophobicContact CB-CG2 4.19Å; A145-V147 VanDerWaalsContact O-CG2 3.3Å; A145-V147 WeakPolarHBondContact O-CG2 3.4Å; A145-V147 PolarHBondContact O-N 3.49Å | ||
| 146 | K | 64.9 | Low | 73.8 | Confident | 215 Ų | 215 | 128.6 Ų | 128.6 | 94% | 0.935 | 70% | 0.699 | S | S | * | * | trans | -65.6 | 86.8 | 167.4 | -69 | -139.1 | -180 | -173.2 | 0 | 107.9 | G148 | K146-G148 VanDerWaalsContact C-N 3.33Å; K146-G148 PolarHBondContact O-N 3.02Å; K146-G148 VanDerWaalsContact O-N 3.11Å | ||
| 147 | V | 61.1 | Low | 73.5 | Confident | 117 Ų | 117 | 128.9 Ų | 128.9 | 71% | 0.709 | 71% | 0.709 | S | S | * | * | trans | -85.4 | 85.8 | -177.7 | -174.3 | 0 | 0 | 0 | 0 | 107 | A145 | A145-V147 HydrophobicContact CB-CG2 4.19Å; A145-V147 VanDerWaalsContact O-CG2 3.3Å; A145-V147 WeakPolarHBondContact O-CG2 3.4Å; A145-V147 PolarHBondContact O-N 3.49Å | ||
| 148 | G | 64.4 | Low | 73.3 | Confident | 60 Ų | 60 | 127.4 Ų | 127.4 | 62% | 0.619 | 71% | 0.713 | S | S | * | * | trans | -140.2 | 59.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 105 | K146 D150 | K146-G148 VanDerWaalsContact C-N 3.33Å; K146-G148 PolarHBondContact O-N 3.02Å; K146-G148 VanDerWaalsContact O-N 3.11Å; G148-D150 PolarHBondContact O-N 3.41Å | ||
| 149 | V | 62.5 | Low | 73.1 | Confident | 117 Ų | 117 | 126.1 Ų | 126.1 | 71% | 0.709 | 70% | 0.699 | S | S | * | * | trans | -69.4 | 114 | 158.8 | 179.9 | 0 | 0 | 0 | 0 | 102.7 | V151 | V149-V151 WeakPolarHBondContact O-CG2 3.21Å; V149-V151 PolarHBondContact O-N 2.85Å | ||
| 150 | D | 61.5 | Low | 73.1 | Confident | 149 Ų | 149 | 127.9 Ų | 127.9 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | -58.1 | 96.3 | 171.7 | -69.6 | -33.1 | 0 | 0 | 0 | 106.8 | G148 M152 | G148-D150 PolarHBondContact O-N 3.41Å; D150-M152 PolarHBondContact O-N 2.98Å | ||
| 151 | V | 66.7 | Low | 73.2 | Confident | 126 Ų | 126 | 129.1 Ų | 129.1 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | trans | -80 | 87.5 | 170.9 | -177.4 | 0 | 0 | 0 | 0 | 104.5 | V149 T153 | V149-V151 WeakPolarHBondContact O-CG2 3.21Å; V149-V151 PolarHBondContact O-N 2.85Å; V151-T153 PolarHBondContact O-N 3.14Å | ||
| 152 | M | 70.5 | Confident | 73.5 | Confident | 147 Ų | 147 | 124.9 Ų | 124.9 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | trans | -65 | 128.2 | 160.1 | 70.4 | -178.5 | 81.4 | 0 | 0 | 106.8 | D150 Q154 | D150-M152 PolarHBondContact O-N 2.98Å; M152-Q154 PolarHBondContact O-N 2.91Å | ||
| 153 | T | 70 | Confident | 74.2 | Confident | 105 Ų | 105 | 122 Ų | 122 | 64% | 0.644 | 67% | 0.668 | S | S | * | * | trans | -64.8 | 121.1 | 158.7 | 46.6 | 0 | 0 | 0 | 0 | 106.3 | V151 I155 | V151-T153 PolarHBondContact O-N 3.14Å; T153-I155 HydrophobicContact CG2-CD1 4.4Å; T153-I155 PolarHBondContact O-N 3.35Å | ||
| 154 | Q | 72.2 | Confident | 74.7 | Confident | 144 Ų | 144 | 122.2 Ų | 122.2 | 67% | 0.673 | 67% | 0.665 | S | S | * | * | trans | -72.3 | 31.6 | 176 | -63.4 | -179.4 | 6.3 | 0 | 0 | 112.2 | M152 Y156 | M152-Q154 PolarHBondContact O-N 2.91Å; Q154-Y156 WeakPolarHBondContact O-CD2 3.44Å; Q154-Y156 PolarHBondContact O-N 3.5Å | ||
| 155 | I | 77.5 | Confident | 75.3 | Confident | 97 Ų | 97 | 124 Ų | 124 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | trans | -80.6 | 100.4 | 177.3 | -60.9 | 168.9 | 0 | 0 | 0 | 106.1 | T153 L160 | T153-I155 HydrophobicContact CG2-CD1 4.4Å; T153-I155 PolarHBondContact O-N 3.35Å; I155-L160 HydrophobicContact CG2-CD1 3.72Å; I155-L160 HydrophobicContact CG2-CG 4.07Å | ||
| 156 | Y | 80.1 | Confident | 76.1 | Confident | 169 Ų | 169 | 125.8 Ų | 125.8 | 66% | 0.663 | 67% | 0.666 | S | S | * | * | trans | -72.6 | 164.4 | 171.3 | -63.9 | -80.2 | 0 | 0 | 0 | 111 | Q154 G158 D159 | Q154-Y156 WeakPolarHBondContact O-CD2 3.44Å; Q154-Y156 PolarHBondContact O-N 3.5Å; Y156-G158 PolarHBondContact O-N 3.14Å; Y156-G158 VanDerWaalsContact O-N 3.14Å; Y156-D159 WeakPolarHBondContact O-CB 3.32Å; Y156-D159 PolarHBondContact O-N 3.29Å | ||
| 157 | E | 77.1 | Confident | 77.5 | Confident | 206 Ų | 206 | 117 Ų | 117 | 96% | 0.963 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 116.1 | 174.4 | -169 | 172.9 | -171.8 | 0 | 0 | 109.8 | ||
| 158 | G | 79.5 | Confident | 79 | Confident | 72 Ų | 72 | 115.2 Ų | 115.2 | 74% | 0.742 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.7 | -8.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y156 L160 | Y156-G158 PolarHBondContact O-N 3.14Å; Y156-G158 VanDerWaalsContact O-N 3.14Å; G158-L160 PolarHBondContact O-N 3Å |
| 159 | D | 80.3 | Confident | 80.5 | Confident | 94 Ų | 94 | 115.6 Ų | 115.6 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | trans | -91.1 | 31 | 174.6 | -170.9 | 32.3 | 0 | 0 | 0 | 111.7 | Y156 | Y156-D159 WeakPolarHBondContact O-CB 3.32Å; Y156-D159 PolarHBondContact O-N 3.29Å | ||
| 160 | L | 81.3 | Confident | 82 | Confident | 123 Ų | 123 | 113.9 Ų | 113.9 | 64% | 0.644 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -84.8 | 146.5 | 172.5 | -78.3 | 75.5 | 0 | 0 | 0 | 107.8 | I155 G158 D162 | I155-L160 HydrophobicContact CG2-CD1 3.72Å; I155-L160 HydrophobicContact CG2-CG 4.07Å; G158-L160 PolarHBondContact O-N 3Å; L160-D162 PolarHBondContact O-N 3.08Å |
| 161 | F | 83.3 | Confident | 83.6 | Confident | 146 Ų | 146 | 110.7 Ų | 110.7 | 64% | 0.64 | 58% | 0.583 | S | S | * | * | trans | -48.3 | 107.5 | 173.9 | -179.3 | -95.7 | 0 | 0 | 0 | 110.5 | F163 E166 | F161-F163 HydrophobicContact CD1-CB 4.2Å; F161-F163 HydrophobicContact CE1-CB 3.99Å; F161-F163 AromaticContact CE1-CD2 3.85Å; F161-F163 HydrophobicContact CE1-CD2 3.85Å; F161-F163 HydrophobicContact CE1-CG 4.35Å; F161-F163 PolarHBondContact O-N 3.25Å; F161-F163 VanDerWaalsContact O-N 3.14Å; F161-E166 HydrophobicContact CD2-CB 4.01Å; F161-E166 HydrophobicContact CD2-CG 3.96Å; F161-E166 HydrophobicContact CE1-CB 4.3Å; F161-E166 HydrophobicContact CE2-CB 3.33Å; F161-E166 HydrophobicContact CE2-CG 3.79Å; F161-E166 HydrophobicContact CZ-CB 3.5Å; F161-E166 HydrophobicContact CZ-CG 4.35Å | ||
| 162 | D | 87.4 | Confident | 84.9 | Confident | 77 Ų | 77 | 111.4 Ų | 111.4 | 41% | 0.412 | 58% | 0.578 | S | S | . | * | trans | -79.3 | 96.5 | 173.7 | -172.4 | -11.5 | 0 | 0 | 0 | 107.8 | L160 D164 L165 E166 | L160-D162 PolarHBondContact O-N 3.08Å; D162-D164 PolarHBondContact O-N 3.42Å; D162-D164 PolarHBondContact OD1-N 3.43Å; D162-L165 HydrophobicContact CB-CB 4.29Å; D162-L165 HydrophobicContact CB-CD1 4.29Å; D162-L165 HydrophobicContact CB-CG 4.39Å; D162-L165 PolarHBondContact O-N 2.91Å; D162-L165 VanDerWaalsContact OD2-CD1 3.27Å; D162-L165 WeakPolarHBondContact OD2-CD1 3.45Å; D162-L165 WeakPolarHBondContact OD2-CG 3.48Å; D162-E166 WeakPolarHBondContact O-CB 3.31Å; D162-E166 WeakPolarHBondContact O-CG 3.4Å; D162-E166 PolarHBondContact O-N 3.27Å | ||
| 163 | F | 89.1 | Confident | 86.1 | Confident | 127 Ų | 127 | 109.3 Ų | 109.3 | 56% | 0.557 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -54.2 | -38.3 | -176.4 | 180 | -89.8 | 0 | 0 | 0 | 111.9 | F161 L165 V167 | F161-F163 HydrophobicContact CD1-CB 4.2Å; F161-F163 HydrophobicContact CE1-CB 3.99Å; F161-F163 AromaticContact CE1-CD2 3.85Å; F161-F163 HydrophobicContact CE1-CD2 3.85Å; F161-F163 HydrophobicContact CE1-CG 4.35Å; F161-F163 PolarHBondContact O-N 3.25Å; F161-F163 VanDerWaalsContact O-N 3.14Å; F163-L165 PolarHBondContact O-N 3.14Å; F163-V167 HydrophobicContact CD1-CG1 4.31Å; F163-V167 HydrophobicContact CE1-CB 4.4Å; F163-V167 HydrophobicContact CE1-CG1 4.07Å; F163-V167 HydrophobicContact CE1-CG2 4.48Å; F163-V167 HydrophobicContact CE2-CB 4.39Å; F163-V167 HydrophobicContact CE2-CG2 4.14Å; F163-V167 HydrophobicContact CZ-CB 4.27Å; F163-V167 HydrophobicContact CZ-CG1 4.37Å; F163-V167 HydrophobicContact CZ-CG2 3.96Å; F163-V167 WeakPolarHBondContact O-CB 3.45Å; F163-V167 WeakPolarHBondContact O-CG1 3.34Å; F163-V167 PolarHBondContact O-N 2.98Å |
| 164 | D | 90.1 | Very high | 87.4 | Confident | 123 Ų | 123 | 109.3 Ų | 109.3 | 66% | 0.658 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.2 | -37.2 | -175.7 | -67.4 | -23.3 | 0 | 0 | 0 | 111.7 | D162 T168 | D162-D164 PolarHBondContact O-N 3.42Å; D162-D164 PolarHBondContact OD1-N 3.43Å; D164-T168 PolarHBondContact O-OG1 2.85Å |
| 165 | L | 90.1 | Very high | 88.6 | Confident | 120 Ų | 120 | 106.8 Ų | 106.8 | 63% | 0.628 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -78.9 | -48.4 | 178 | -65.2 | -179.9 | 0 | 0 | 0 | 112.1 | D162 F163 T168 | D162-L165 HydrophobicContact CB-CB 4.29Å; D162-L165 HydrophobicContact CB-CD1 4.29Å; D162-L165 HydrophobicContact CB-CG 4.39Å; D162-L165 PolarHBondContact O-N 2.91Å; D162-L165 VanDerWaalsContact OD2-CD1 3.27Å; D162-L165 WeakPolarHBondContact OD2-CD1 3.45Å; D162-L165 WeakPolarHBondContact OD2-CG 3.48Å; F163-L165 PolarHBondContact O-N 3.14Å; L165-T168 WeakPolarHBondContact O-CB 3.34Å; L165-T168 PolarHBondContact O-N 3.48Å |
| 166 | E | 88.6 | Confident | 89.5 | Confident | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -76.6 | -26.9 | -170.2 | -64 | -65.4 | 167.7 | 0 | 0 | 112.9 | F161 D162 T168 P169 | F161-E166 HydrophobicContact CD2-CB 4.01Å; F161-E166 HydrophobicContact CD2-CG 3.96Å; F161-E166 HydrophobicContact CE1-CB 4.3Å; F161-E166 HydrophobicContact CE2-CB 3.33Å; F161-E166 HydrophobicContact CE2-CG 3.79Å; F161-E166 HydrophobicContact CZ-CB 3.5Å; F161-E166 HydrophobicContact CZ-CG 4.35Å; D162-E166 WeakPolarHBondContact O-CB 3.31Å; D162-E166 WeakPolarHBondContact O-CG 3.4Å; D162-E166 PolarHBondContact O-N 3.27Å; E166-T168 VanDerWaalsContact C-N 3.31Å; E166-P169 WeakPolarHBondContact O-CD 3.32Å; E166-P169 WeakPolarHBondContact O-CG 3.46Å |
| 167 | V | 93.4 | Very high | 90.3 | Very high | 30 Ų | 30 | 100.9 Ų | 100.9 | 18% | 0.182 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -75.6 | -21.9 | 177.1 | 83.4 | 0 | 0 | 0 | 0 | 112.4 | F163 V170 L171 | F163-V167 HydrophobicContact CD1-CG1 4.31Å; F163-V167 HydrophobicContact CE1-CB 4.4Å; F163-V167 HydrophobicContact CE1-CG1 4.07Å; F163-V167 HydrophobicContact CE1-CG2 4.48Å; F163-V167 HydrophobicContact CE2-CB 4.39Å; F163-V167 HydrophobicContact CE2-CG2 4.14Å; F163-V167 HydrophobicContact CZ-CB 4.27Å; F163-V167 HydrophobicContact CZ-CG1 4.37Å; F163-V167 HydrophobicContact CZ-CG2 3.96Å; F163-V167 WeakPolarHBondContact O-CB 3.45Å; F163-V167 WeakPolarHBondContact O-CG1 3.34Å; F163-V167 PolarHBondContact O-N 2.98Å; V167-V170 PolarHBondContact O-N 3.25Å; V167-L171 HydrophobicContact CG1-CD1 3.96Å; V167-L171 HydrophobicContact CG2-CD1 4.12Å; V167-L171 HydrophobicContact CG2-CG 4.04Å; V167-L171 WeakPolarHBondContact O-CG 3.45Å; V167-L171 PolarHBondContact O-N 2.89Å |
| 168 | T | 94.1 | Very high | 91.2 | Very high | 80 Ų | 80 | 95.1 Ų | 95.1 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -54.8 | -54.1 | -176.6 | -64.4 | 0 | 0 | 0 | 0 | 113 | D164 L165 E166 V170 L171 E172 | D164-T168 PolarHBondContact O-OG1 2.85Å; L165-T168 WeakPolarHBondContact O-CB 3.34Å; L165-T168 PolarHBondContact O-N 3.48Å; E166-T168 VanDerWaalsContact C-N 3.31Å; T168-V170 VanDerWaalsContact C-N 3.31Å; T168-V170 PolarHBondContact O-N 3.29Å; T168-L171 PolarHBondContact O-N 2.96Å; T168-E172 WeakPolarHBondContact O-CB 3.41Å; T168-E172 PolarHBondContact O-N 2.92Å |
| 169 | P | 95.3 | Very high | 92.1 | Very high | 67 Ų | 67 | 95.9 Ų | 95.9 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -32.1 | 178.2 | 25 | -35.3 | 0 | 0 | 0 | 113.1 | E166 E172 V173 | E166-P169 WeakPolarHBondContact O-CD 3.32Å; E166-P169 WeakPolarHBondContact O-CG 3.46Å; P169-E172 PolarHBondContact O-N 2.85Å; P169-V173 WeakPolarHBondContact O-CG2 3.38Å; P169-V173 PolarHBondContact O-N 3.2Å |
| 170 | V | 93.3 | Very high | 92.8 | Very high | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 177.2 | -179 | 0 | 0 | 0 | 0 | 110.4 | V167 T168 V173 L174 | V167-V170 PolarHBondContact O-N 3.25Å; T168-V170 VanDerWaalsContact C-N 3.31Å; T168-V170 PolarHBondContact O-N 3.29Å; V170-V173 PolarHBondContact O-N 3.14Å; V170-L174 HydrophobicContact CG1-CD1 4Å; V170-L174 WeakPolarHBondContact O-CB 3.35Å; V170-L174 WeakPolarHBondContact O-CG 3.35Å; V170-L174 PolarHBondContact O-N 3.08Å |
| 171 | L | 95.2 | Very high | 93.6 | Very high | 82 Ų | 82 | 94.8 Ų | 94.8 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 175.4 | -73.1 | 174.7 | 0 | 0 | 0 | 111.8 | V167 T168 V173 L174 I175 | V167-L171 HydrophobicContact CG1-CD1 3.96Å; V167-L171 HydrophobicContact CG2-CD1 4.12Å; V167-L171 HydrophobicContact CG2-CG 4.04Å; V167-L171 WeakPolarHBondContact O-CG 3.45Å; V167-L171 PolarHBondContact O-N 2.89Å; T168-L171 PolarHBondContact O-N 2.96Å; L171-V173 VanDerWaalsContact C-N 3.34Å; L171-V173 PolarHBondContact O-N 2.71Å; L171-L174 PolarHBondContact O-N 3.26Å; L171-I175 HydrophobicContact CB-CD1 4.33Å; L171-I175 VanDerWaalsContact O-CB 3.23Å; L171-I175 WeakPolarHBondContact O-CB 3.25Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 2.72Å |
| 172 | E | 94.6 | Very high | 94.3 | Very high | 141 Ų | 141 | 90.1 Ų | 90.1 | 66% | 0.659 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.4 | -45.2 | 176.7 | -174 | 175.9 | -175.1 | 0 | 0 | 111.5 | T168 P169 G176 | T168-E172 WeakPolarHBondContact O-CB 3.41Å; T168-E172 PolarHBondContact O-N 2.92Å; P169-E172 PolarHBondContact O-N 2.85Å; E172-G176 WeakPolarHBondContact O-CA 3.47Å; E172-G176 PolarHBondContact O-N 3.35Å |
| 173 | V | 96.1 | Very high | 94.8 | Very high | 103 Ų | 103 | 91.5 Ų | 91.5 | 62% | 0.624 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.7 | -43.3 | 177 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | P169 V170 L171 G176 K177 | P169-V173 WeakPolarHBondContact O-CG2 3.38Å; P169-V173 PolarHBondContact O-N 3.2Å; V170-V173 PolarHBondContact O-N 3.14Å; L171-V173 VanDerWaalsContact C-N 3.34Å; L171-V173 PolarHBondContact O-N 2.71Å; V173-G176 PolarHBondContact O-N 3.3Å; V173-K177 VanDerWaalsContact O-CB 3.25Å; V173-K177 WeakPolarHBondContact O-CB 3.41Å; V173-K177 PolarHBondContact O-N 3.17Å |
| 174 | L | 96.9 | Very high | 95.2 | Very high | 104 Ų | 104 | 90.6 Ų | 90.6 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -47.2 | 179.4 | -74.8 | 173.6 | 0 | 0 | 0 | 111.8 | V170 L171 T178 | V170-L174 HydrophobicContact CG1-CD1 4Å; V170-L174 WeakPolarHBondContact O-CB 3.35Å; V170-L174 WeakPolarHBondContact O-CG 3.35Å; V170-L174 PolarHBondContact O-N 3.08Å; L171-L174 PolarHBondContact O-N 3.26Å; L174-T178 WeakPolarHBondContact O-CB 3.41Å; L174-T178 WeakPolarHBondContact O-CG2 3.35Å; L174-T178 PolarHBondContact O-N 3.4Å; L174-T178 PolarHBondContact O-OG1 2.86Å |
| 175 | I | 96.9 | Very high | 95.6 | Very high | 91 Ų | 91 | 89.2 Ų | 89.2 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 177.1 | -66 | 167.8 | 0 | 0 | 0 | 109.7 | L171 T178 I179 | L171-I175 HydrophobicContact CB-CD1 4.33Å; L171-I175 VanDerWaalsContact O-CB 3.23Å; L171-I175 WeakPolarHBondContact O-CB 3.25Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 2.72Å; I175-T178 WeakPolarHBondContact CA-OG1 3.41Å; I175-T178 PolarHBondContact O-N 3.07Å; I175-T178 PolarHBondContact O-OG1 2.82Å; I175-I179 HydrophobicContact CG2-CD1 3.54Å; I175-I179 HydrophobicContact CG2-CG1 4.25Å; I175-I179 WeakPolarHBondContact O-CB 3.36Å; I175-I179 VanDerWaalsContact O-CG1 3.24Å; I175-I179 WeakPolarHBondContact O-CG1 3.42Å; I175-I179 PolarHBondContact O-N 3.26Å |
| 176 | G | 96.7 | Very high | 96 | Very high | 38 Ų | 38 | 87.5 Ų | 87.5 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.4 | -49.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E172 V173 I179 E180 | E172-G176 WeakPolarHBondContact O-CA 3.47Å; E172-G176 PolarHBondContact O-N 3.35Å; V173-G176 PolarHBondContact O-N 3.3Å; G176-I179 PolarHBondContact O-N 2.96Å; G176-E180 VanDerWaalsContact O-CB 3.24Å; G176-E180 WeakPolarHBondContact O-CB 3.45Å; G176-E180 PolarHBondContact O-N 3.11Å |
| 177 | K | 96.4 | Very high | 96.3 | Very high | 105 Ų | 105 | 85 Ų | 85 | 46% | 0.457 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | -179.2 | -169.7 | 69.7 | -143.9 | 160.3 | 0 | 112.5 | V173 E180 Q181 | V173-K177 VanDerWaalsContact O-CB 3.25Å; V173-K177 WeakPolarHBondContact O-CB 3.41Å; V173-K177 PolarHBondContact O-N 3.17Å; K177-E180 IonicContact NZ-OE1 2.77Å; K177-E180 IonicContact NZ-OE2 3.33Å; K177-E180 PolarHBondContact NZ-OE2 3.09Å; K177-Q181 VanDerWaalsContact O-CB 3.25Å; K177-Q181 WeakPolarHBondContact O-CB 3.23Å; K177-Q181 PolarHBondContact O-N 3.44Å |
| 178 | T | 97 | Very high | 96.5 | Very high | 84 Ų | 84 | 89.2 Ų | 89.2 | 52% | 0.515 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 178.1 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | L174 I175 S182 | L174-T178 WeakPolarHBondContact O-CB 3.41Å; L174-T178 WeakPolarHBondContact O-CG2 3.35Å; L174-T178 PolarHBondContact O-N 3.4Å; L174-T178 PolarHBondContact O-OG1 2.86Å; I175-T178 WeakPolarHBondContact CA-OG1 3.41Å; I175-T178 PolarHBondContact O-N 3.07Å; I175-T178 PolarHBondContact O-OG1 2.82Å; T178-S182 VanDerWaalsContact O-CB 3.32Å; T178-S182 WeakPolarHBondContact O-CB 3.3Å; T178-S182 PolarHBondContact O-N 2.92Å; T178-S182 PolarHBondContact O-OG 2.87Å |
| 179 | I | 97.1 | Very high | 96.7 | Very high | 88 Ų | 88 | 92 Ų | 92 | 45% | 0.451 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -48.7 | 174.5 | -68.5 | 174.6 | 0 | 0 | 0 | 110.6 | I175 G176 Q181 S182 L183 | I175-I179 HydrophobicContact CG2-CD1 3.54Å; I175-I179 HydrophobicContact CG2-CG1 4.25Å; I175-I179 WeakPolarHBondContact O-CB 3.36Å; I175-I179 VanDerWaalsContact O-CG1 3.24Å; I175-I179 WeakPolarHBondContact O-CG1 3.42Å; I175-I179 PolarHBondContact O-N 3.26Å; G176-I179 PolarHBondContact O-N 2.96Å; I179-Q181 VanDerWaalsContact C-N 3.33Å; I179-Q181 PolarHBondContact O-N 3.02Å; I179-S182 WeakPolarHBondContact CA-OG 3.45Å; I179-S182 PolarHBondContact O-N 3.25Å; I179-S182 PolarHBondContact O-OG 3.09Å; I179-L183 HydrophobicContact CG2-CD1 3.77Å; I179-L183 HydrophobicContact CG2-CG 4.17Å; I179-L183 WeakPolarHBondContact O-CB 3.27Å; I179-L183 WeakPolarHBondContact O-CG 3.46Å; I179-L183 PolarHBondContact O-N 3.41Å |
| 180 | E | 96.7 | Very high | 96.8 | Very high | 96 Ų | 96 | 95.4 Ų | 95.4 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.8 | -48.4 | 177.9 | -175.9 | -164.6 | -176.7 | 0 | 0 | 111.1 | G176 K177 L183 L184 | G176-E180 VanDerWaalsContact O-CB 3.24Å; G176-E180 WeakPolarHBondContact O-CB 3.45Å; G176-E180 PolarHBondContact O-N 3.11Å; K177-E180 IonicContact NZ-OE1 2.77Å; K177-E180 IonicContact NZ-OE2 3.33Å; K177-E180 PolarHBondContact NZ-OE2 3.09Å; E180-L183 PolarHBondContact O-N 3.12Å; E180-L184 HydrophobicContact CG-CD1 4.26Å; E180-L184 VanDerWaalsContact O-CG 3.31Å; E180-L184 WeakPolarHBondContact O-CG 3.29Å; E180-L184 PolarHBondContact O-N 3.21Å |
| 181 | Q | 97.9 | Very high | 96.9 | Very high | 99 Ų | 99 | 97.5 Ų | 97.5 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 177.8 | -176.5 | 175 | -14.6 | 0 | 0 | 111.7 | K177 I179 L183 L184 E185 | K177-Q181 VanDerWaalsContact O-CB 3.25Å; K177-Q181 WeakPolarHBondContact O-CB 3.23Å; K177-Q181 PolarHBondContact O-N 3.44Å; I179-Q181 VanDerWaalsContact C-N 3.33Å; I179-Q181 PolarHBondContact O-N 3.02Å; Q181-L183 VanDerWaalsContact C-N 3.3Å; Q181-L183 PolarHBondContact O-N 3.05Å; Q181-L184 PolarHBondContact O-N 2.84Å; Q181-E185 HydrophobicContact CG-CG 4.48Å; Q181-E185 VanDerWaalsContact CG-OE1 3.29Å; Q181-E185 WeakPolarHBondContact CG-OE1 3.43Å; Q181-E185 PolarHBondContact NE2-OE1 2.82Å; Q181-E185 WeakPolarHBondContact O-CG 3.07Å; Q181-E185 PolarHBondContact O-N 3.42Å |
| 182 | S | 97.5 | Very high | 97 | Very high | 47 Ų | 47 | 96.9 Ų | 96.9 | 33% | 0.329 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 178.5 | 68.8 | 0 | 0 | 0 | 0 | 113 | T178 I179 I186 | T178-S182 VanDerWaalsContact O-CB 3.32Å; T178-S182 WeakPolarHBondContact O-CB 3.3Å; T178-S182 PolarHBondContact O-N 2.92Å; T178-S182 PolarHBondContact O-OG 2.87Å; I179-S182 WeakPolarHBondContact CA-OG 3.45Å; I179-S182 PolarHBondContact O-N 3.25Å; I179-S182 PolarHBondContact O-OG 3.09Å; S182-I186 WeakPolarHBondContact O-CD1 3.36Å; S182-I186 WeakPolarHBondContact O-CG1 3.36Å; S182-I186 PolarHBondContact O-N 3.36Å; S182-I186 VanDerWaalsContact O-N 3.08Å |
| 183 | L | 97.5 | Very high | 97.2 | Very high | 107 Ų | 107 | 92.8 Ų | 92.8 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.2 | -38.2 | 176.3 | -73.1 | 175.2 | 0 | 0 | 0 | 111.8 | I179 E180 Q181 A187 | I179-L183 HydrophobicContact CG2-CD1 3.77Å; I179-L183 HydrophobicContact CG2-CG 4.17Å; I179-L183 WeakPolarHBondContact O-CB 3.27Å; I179-L183 WeakPolarHBondContact O-CG 3.46Å; I179-L183 PolarHBondContact O-N 3.41Å; E180-L183 PolarHBondContact O-N 3.12Å; Q181-L183 VanDerWaalsContact C-N 3.3Å; Q181-L183 PolarHBondContact O-N 3.05Å; L183-A187 WeakPolarHBondContact O-CB 3.26Å; L183-A187 PolarHBondContact O-N 3Å |
| 184 | L | 97.8 | Very high | 97.2 | Very high | 107 Ų | 107 | 90.8 Ų | 90.8 | 56% | 0.56 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.4 | -43.1 | 175.8 | -71.7 | 171.9 | 0 | 0 | 0 | 111.6 | E180 Q181 A187 E188 | E180-L184 HydrophobicContact CG-CD1 4.26Å; E180-L184 VanDerWaalsContact O-CG 3.31Å; E180-L184 WeakPolarHBondContact O-CG 3.29Å; E180-L184 PolarHBondContact O-N 3.21Å; Q181-L184 PolarHBondContact O-N 2.84Å; L184-A187 PolarHBondContact O-N 3.17Å; L184-E188 WeakPolarHBondContact O-CB 3.43Å; L184-E188 PolarHBondContact O-N 2.96Å |
| 185 | E | 98.2 | Very high | 97.2 | Very high | 94 Ų | 94 | 88.8 Ų | 88.8 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 176.9 | -71.7 | 171.4 | -171.5 | 0 | 0 | 111.3 | Q181 A187 E188 E189 | Q181-E185 HydrophobicContact CG-CG 4.48Å; Q181-E185 VanDerWaalsContact CG-OE1 3.29Å; Q181-E185 WeakPolarHBondContact CG-OE1 3.43Å; Q181-E185 PolarHBondContact NE2-OE1 2.82Å; Q181-E185 WeakPolarHBondContact O-CG 3.07Å; Q181-E185 PolarHBondContact O-N 3.42Å; E185-A187 PolarHBondContact O-N 3.26Å; E185-E188 PolarHBondContact O-N 3.36Å; E185-E189 WeakPolarHBondContact O-CG 3.42Å; E185-E189 PolarHBondContact O-N 3.42Å |
| 186 | I | 98.3 | Very high | 97.3 | Very high | 85 Ų | 85 | 91.3 Ų | 91.3 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176.2 | -68 | 165.4 | 0 | 0 | 0 | 111.4 | S182 E188 E189 E190 | S182-I186 WeakPolarHBondContact O-CD1 3.36Å; S182-I186 WeakPolarHBondContact O-CG1 3.36Å; S182-I186 PolarHBondContact O-N 3.36Å; S182-I186 VanDerWaalsContact O-N 3.08Å; I186-E188 VanDerWaalsContact C-N 3.33Å; I186-E188 PolarHBondContact O-N 3.41Å; I186-E189 PolarHBondContact O-N 3.49Å; I186-E190 WeakPolarHBondContact O-CG 3.39Å; I186-E190 PolarHBondContact O-N 3.01Å |
| 187 | A | 96.6 | Very high | 97.3 | Very high | 54 Ų | 54 | 92.3 Ų | 92.3 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L183 L184 E185 E190 E191 | L183-A187 WeakPolarHBondContact O-CB 3.26Å; L183-A187 PolarHBondContact O-N 3Å; L184-A187 PolarHBondContact O-N 3.17Å; E185-A187 PolarHBondContact O-N 3.26Å; A187-E190 PolarHBondContact O-N 2.89Å; A187-E191 WeakPolarHBondContact O-CB 3.37Å; A187-E191 PolarHBondContact O-N 3.37Å |
| 188 | E | 97.2 | Very high | 97.4 | Very high | 120 Ų | 120 | 93.5 Ų | 93.5 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.8 | -43.1 | 174.7 | -173.9 | -178.9 | 170.6 | 0 | 0 | 111.5 | L184 E185 I186 E190 E191 L192 | L184-E188 WeakPolarHBondContact O-CB 3.43Å; L184-E188 PolarHBondContact O-N 2.96Å; E185-E188 PolarHBondContact O-N 3.36Å; I186-E188 VanDerWaalsContact C-N 3.33Å; I186-E188 PolarHBondContact O-N 3.41Å; E188-E190 PolarHBondContact O-N 3.15Å; E188-E191 PolarHBondContact O-N 3.31Å; E188-L192 HydrophobicContact CG-CD1 4.2Å; E188-L192 HydrophobicContact CG-CG 4.49Å; E188-L192 WeakPolarHBondContact O-CB 3.46Å; E188-L192 VanDerWaalsContact O-CG 3.32Å; E188-L192 WeakPolarHBondContact O-CG 3.47Å; E188-L192 PolarHBondContact O-N 3.04Å |
| 189 | E | 97.4 | Very high | 97.4 | Very high | 139 Ų | 139 | 94.6 Ų | 94.6 | 65% | 0.65 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 176.1 | -75.4 | -176.2 | 179.6 | 0 | 0 | 112.3 | E185 I186 A193 | E185-E189 WeakPolarHBondContact O-CG 3.42Å; E185-E189 PolarHBondContact O-N 3.42Å; I186-E189 PolarHBondContact O-N 3.49Å; E189-A193 WeakPolarHBondContact O-CB 3.41Å; E189-A193 PolarHBondContact O-N 2.68Å |
| 190 | E | 96.9 | Very high | 97.5 | Very high | 138 Ų | 138 | 94.7 Ų | 94.7 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.1 | -41 | 176.2 | -73.6 | -174 | 172 | 0 | 0 | 112.2 | I186 A187 E188 A193 S194 | I186-E190 WeakPolarHBondContact O-CG 3.39Å; I186-E190 PolarHBondContact O-N 3.01Å; A187-E190 PolarHBondContact O-N 2.89Å; E188-E190 PolarHBondContact O-N 3.15Å; E190-A193 PolarHBondContact O-N 2.92Å; E190-S194 WeakPolarHBondContact O-CB 3.42Å; E190-S194 PolarHBondContact O-N 3.2Å |
| 191 | E | 96.2 | Very high | 97.5 | Very high | 126 Ų | 126 | 92.2 Ų | 92.2 | 59% | 0.589 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62 | -49 | 175.5 | -173.5 | -178.3 | 162.6 | 0 | 0 | 111 | A187 E188 A193 S194 I195 | A187-E191 WeakPolarHBondContact O-CB 3.37Å; A187-E191 PolarHBondContact O-N 3.37Å; E188-E191 PolarHBondContact O-N 3.31Å; E191-A193 VanDerWaalsContact C-N 3.31Å; E191-A193 PolarHBondContact O-N 3.25Å; E191-S194 WeakPolarHBondContact O-CB 3.27Å; E191-S194 PolarHBondContact O-N 3.34Å; E191-S194 VanDerWaalsContact O-N 3.17Å; E191-I195 HydrophobicContact CG-CD1 3.95Å; E191-I195 WeakPolarHBondContact O-CG1 3.43Å; E191-I195 PolarHBondContact O-N 3.12Å |
| 192 | L | 97.6 | Very high | 97.5 | Very high | 69 Ų | 69 | 94.3 Ų | 94.3 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 177.8 | -70.9 | 176.1 | 0 | 0 | 0 | 112 | E188 R196 | E188-L192 HydrophobicContact CG-CD1 4.2Å; E188-L192 HydrophobicContact CG-CG 4.49Å; E188-L192 WeakPolarHBondContact O-CB 3.46Å; E188-L192 VanDerWaalsContact O-CG 3.32Å; E188-L192 WeakPolarHBondContact O-CG 3.47Å; E188-L192 PolarHBondContact O-N 3.04Å; L192-R196 WeakPolarHBondContact O-CB 3.41Å; L192-R196 VanDerWaalsContact O-CG 3.25Å; L192-R196 WeakPolarHBondContact O-CG 3.39Å; L192-R196 PolarHBondContact O-N 3.04Å |
| 193 | A | 97.8 | Very high | 97.5 | Very high | 55 Ų | 55 | 96.8 Ų | 96.8 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E189 E190 E191 R196 A197 | E189-A193 WeakPolarHBondContact O-CB 3.41Å; E189-A193 PolarHBondContact O-N 2.68Å; E190-A193 PolarHBondContact O-N 2.92Å; E191-A193 VanDerWaalsContact C-N 3.31Å; E191-A193 PolarHBondContact O-N 3.25Å; A193-R196 PolarHBondContact O-N 3.38Å; A193-A197 WeakPolarHBondContact O-CB 3.26Å; A193-A197 PolarHBondContact O-N 3.29Å |
| 194 | S | 97 | Very high | 97.5 | Very high | 60 Ų | 60 | 98.1 Ų | 98.1 | 42% | 0.42 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | E190 E191 R196 A197 Q198 | E190-S194 WeakPolarHBondContact O-CB 3.42Å; E190-S194 PolarHBondContact O-N 3.2Å; E191-S194 WeakPolarHBondContact O-CB 3.27Å; E191-S194 PolarHBondContact O-N 3.34Å; E191-S194 VanDerWaalsContact O-N 3.17Å; S194-R196 PolarHBondContact O-N 3.19Å; S194-A197 PolarHBondContact O-N 3.17Å; S194-Q198 WeakPolarHBondContact O-CG 3.27Å; S194-Q198 PolarHBondContact O-N 3.01Å |
| 195 | I | 97.7 | Very high | 97.4 | Very high | 62 Ų | 62 | 97.8 Ų | 97.8 | 32% | 0.318 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 177.6 | -68.4 | 168.3 | 0 | 0 | 0 | 110.8 | E191 A197 Q198 Q199 | E191-I195 HydrophobicContact CG-CD1 3.95Å; E191-I195 WeakPolarHBondContact O-CG1 3.43Å; E191-I195 PolarHBondContact O-N 3.12Å; I195-A197 VanDerWaalsContact C-N 3.33Å; I195-A197 PolarHBondContact O-N 2.94Å; I195-Q198 PolarHBondContact O-N 3.34Å; I195-Q199 HydrophobicContact CG2-CG 4.37Å; I195-Q199 WeakPolarHBondContact O-CG 3.33Å; I195-Q199 PolarHBondContact O-N 2.9Å |
| 196 | R | 97.7 | Very high | 97.4 | Very high | 144 Ų | 144 | 100.5 Ų | 100.5 | 54% | 0.543 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 177.3 | -72.4 | 171.6 | -169.5 | 146.1 | 4.1 | 112 | L192 A193 S194 Q198 Q199 N200 | L192-R196 WeakPolarHBondContact O-CB 3.41Å; L192-R196 VanDerWaalsContact O-CG 3.25Å; L192-R196 WeakPolarHBondContact O-CG 3.39Å; L192-R196 PolarHBondContact O-N 3.04Å; A193-R196 PolarHBondContact O-N 3.38Å; S194-R196 PolarHBondContact O-N 3.19Å; R196-Q198 VanDerWaalsContact C-N 3.33Å; R196-Q198 PolarHBondContact O-N 2.99Å; R196-Q199 PolarHBondContact O-N 3.44Å; R196-N200 WeakPolarHBondContact O-CB 3.44Å; R196-N200 PolarHBondContact O-N 2.95Å; R196-N200 PolarHBondContact O-ND2 2.71Å; R196-N200 PolarHBondContact O-OD1 3.18Å |
| 197 | A | 97.7 | Very high | 97.3 | Very high | 60 Ų | 60 | 102 Ų | 102 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A193 S194 I195 A201 | A193-A197 WeakPolarHBondContact O-CB 3.26Å; A193-A197 PolarHBondContact O-N 3.29Å; S194-A197 PolarHBondContact O-N 3.17Å; I195-A197 VanDerWaalsContact C-N 3.33Å; I195-A197 PolarHBondContact O-N 2.94Å; A197-A201 WeakPolarHBondContact O-CB 3.27Å; A197-A201 PolarHBondContact O-N 3.35Å |
| 198 | Q | 97.4 | Very high | 97.4 | Very high | 130 Ų | 130 | 102 Ų | 102 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 175.2 | -69.9 | 176.7 | 12.6 | 0 | 0 | 112.4 | S194 I195 R196 A201 F202 | S194-Q198 WeakPolarHBondContact O-CG 3.27Å; S194-Q198 PolarHBondContact O-N 3.01Å; I195-Q198 PolarHBondContact O-N 3.34Å; R196-Q198 VanDerWaalsContact C-N 3.33Å; R196-Q198 PolarHBondContact O-N 2.99Å; Q198-A201 PolarHBondContact O-N 3.43Å; Q198-F202 WeakPolarHBondContact O-CB 3.35Å; Q198-F202 PolarHBondContact O-N 3.48Å |
| 199 | Q | 97.9 | Very high | 97.3 | Very high | 107 Ų | 107 | 100.4 Ų | 100.4 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -49.1 | 175.9 | -74.6 | 174 | -12.9 | 0 | 0 | 111.2 | I195 R196 A201 F202 E203 | I195-Q199 HydrophobicContact CG2-CG 4.37Å; I195-Q199 WeakPolarHBondContact O-CG 3.33Å; I195-Q199 PolarHBondContact O-N 2.9Å; R196-Q199 PolarHBondContact O-N 3.44Å; Q199-A201 VanDerWaalsContact C-N 3.34Å; Q199-A201 PolarHBondContact O-N 3.42Å; Q199-F202 PolarHBondContact O-N 3.24Å; Q199-E203 WeakPolarHBondContact O-CG 3.37Å; Q199-E203 PolarHBondContact O-N 2.82Å |
| 200 | N | 97.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 98.7 Ų | 98.7 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 177.3 | -67.9 | -13.2 | 0 | 0 | 0 | 111.5 | R196 F202 E203 E204 | R196-N200 WeakPolarHBondContact O-CB 3.44Å; R196-N200 PolarHBondContact O-N 2.95Å; R196-N200 PolarHBondContact O-ND2 2.71Å; R196-N200 PolarHBondContact O-OD1 3.18Å; N200-F202 VanDerWaalsContact C-N 3.33Å; N200-F202 PolarHBondContact O-N 3.33Å; N200-E203 PolarHBondContact O-N 3.41Å; N200-E204 WeakPolarHBondContact O-CG 3.44Å; N200-E204 PolarHBondContact O-N 3.21Å |
| 201 | A | 97.6 | Very high | 97.3 | Very high | 44 Ų | 44 | 98.2 Ų | 98.2 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A197 Q198 Q199 I205 | A197-A201 WeakPolarHBondContact O-CB 3.27Å; A197-A201 PolarHBondContact O-N 3.35Å; Q198-A201 PolarHBondContact O-N 3.43Å; Q199-A201 VanDerWaalsContact C-N 3.34Å; Q199-A201 PolarHBondContact O-N 3.42Å; A201-I205 VanDerWaalsContact O-CG1 3.3Å; A201-I205 WeakPolarHBondContact O-CG1 3.49Å; A201-I205 PolarHBondContact O-N 2.89Å; A201-I205 VanDerWaalsContact O-N 3.12Å |
| 202 | F | 97.2 | Very high | 97.2 | Very high | 142 Ų | 142 | 97.7 Ų | 97.7 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.2 | -41.3 | 175.9 | -178.8 | -99.7 | 0 | 0 | 0 | 112.1 | Q198 Q199 N200 I205 R206 | Q198-F202 WeakPolarHBondContact O-CB 3.35Å; Q198-F202 PolarHBondContact O-N 3.48Å; Q199-F202 PolarHBondContact O-N 3.24Å; N200-F202 VanDerWaalsContact C-N 3.33Å; N200-F202 PolarHBondContact O-N 3.33Å; F202-I205 PolarHBondContact O-N 2.93Å; F202-R206 VanDerWaalsContact O-CB 3.29Å; F202-R206 WeakPolarHBondContact O-CB 3.32Å; F202-R206 PolarHBondContact O-N 3.41Å |
| 203 | E | 97.8 | Very high | 97.2 | Very high | 100 Ų | 100 | 98.4 Ų | 98.4 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 176.1 | -74 | -176 | 178.8 | 0 | 0 | 112.1 | Q199 N200 R206 Q207 | Q199-E203 WeakPolarHBondContact O-CG 3.37Å; Q199-E203 PolarHBondContact O-N 2.82Å; N200-E203 PolarHBondContact O-N 3.41Å; E203-R206 PolarHBondContact O-N 2.92Å; E203-Q207 WeakPolarHBondContact O-CB 3.43Å; E203-Q207 VanDerWaalsContact O-CG 3.23Å; E203-Q207 WeakPolarHBondContact O-CG 3.33Å; E203-Q207 PolarHBondContact O-N 3.3Å |
| 204 | E | 97.1 | Very high | 97.2 | Very high | 134 Ų | 134 | 98.3 Ų | 98.3 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.1 | -47.3 | 174.5 | -75.8 | 177.2 | -176.3 | 0 | 0 | 111.7 | N200 Q207 A208 | N200-E204 WeakPolarHBondContact O-CG 3.44Å; N200-E204 PolarHBondContact O-N 3.21Å; E204-Q207 PolarHBondContact O-N 3.02Å; E204-A208 WeakPolarHBondContact O-CB 3.42Å; E204-A208 PolarHBondContact O-N 3.44Å |
| 205 | I | 97 | Very high | 97.2 | Very high | 100 Ų | 100 | 105 Ų | 105 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 176.1 | -67.2 | 165.6 | 0 | 0 | 0 | 110.1 | A201 F202 Q207 A208 D209 | A201-I205 VanDerWaalsContact O-CG1 3.3Å; A201-I205 WeakPolarHBondContact O-CG1 3.49Å; A201-I205 PolarHBondContact O-N 2.89Å; A201-I205 VanDerWaalsContact O-N 3.12Å; F202-I205 PolarHBondContact O-N 2.93Å; I205-Q207 VanDerWaalsContact C-N 3.31Å; I205-Q207 PolarHBondContact O-N 2.89Å; I205-A208 WeakPolarHBondContact O-CB 3.35Å; I205-A208 PolarHBondContact O-N 3.16Å; I205-A208 VanDerWaalsContact O-N 3.14Å; I205-D209 VanDerWaalsContact O-CG 3.29Å; I205-D209 PolarHBondContact O-N 3.24Å |
| 206 | R | 97.9 | Very high | 97.1 | Very high | 151 Ų | 151 | 105.7 Ų | 105.7 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.7 | -41.8 | 179.5 | -176.4 | -176.5 | 177.9 | -151.7 | 0.1 | 111.9 | F202 E203 L210 | F202-R206 VanDerWaalsContact O-CB 3.29Å; F202-R206 WeakPolarHBondContact O-CB 3.32Å; F202-R206 PolarHBondContact O-N 3.41Å; E203-R206 PolarHBondContact O-N 2.92Å; R206-L210 HydrophobicContact CG-CD1 4.37Å; R206-L210 WeakPolarHBondContact O-CB 3.48Å; R206-L210 VanDerWaalsContact O-CG 3.26Å; R206-L210 WeakPolarHBondContact O-CG 3.24Å; R206-L210 PolarHBondContact O-N 2.98Å |
| 207 | Q | 96.3 | Very high | 97 | Very high | 116 Ų | 116 | 102.4 Ų | 102.4 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 176.6 | -73.9 | 176.1 | 19.8 | 0 | 0 | 111.3 | E203 E204 I205 L210 L211 | E203-Q207 WeakPolarHBondContact O-CB 3.43Å; E203-Q207 VanDerWaalsContact O-CG 3.23Å; E203-Q207 WeakPolarHBondContact O-CG 3.33Å; E203-Q207 PolarHBondContact O-N 3.3Å; E204-Q207 PolarHBondContact O-N 3.02Å; I205-Q207 VanDerWaalsContact C-N 3.31Å; I205-Q207 PolarHBondContact O-N 2.89Å; Q207-L210 PolarHBondContact O-N 3.38Å; Q207-L211 VanDerWaalsContact O-CG 3.27Å; Q207-L211 WeakPolarHBondContact O-CG 3.36Å; Q207-L211 PolarHBondContact O-N 3.18Å |
| 208 | A | 97.4 | Very high | 97 | Very high | 56 Ų | 56 | 104.4 Ų | 104.4 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E204 I205 L210 L211 E212 | E204-A208 WeakPolarHBondContact O-CB 3.42Å; E204-A208 PolarHBondContact O-N 3.44Å; I205-A208 WeakPolarHBondContact O-CB 3.35Å; I205-A208 PolarHBondContact O-N 3.16Å; I205-A208 VanDerWaalsContact O-N 3.14Å; A208-L210 PolarHBondContact O-N 3.45Å; A208-L211 PolarHBondContact O-N 3.07Å; A208-E212 PolarHBondContact O-N 3.15Å |
| 209 | D | 96.4 | Very high | 97 | Very high | 86 Ų | 86 | 106.2 Ų | 106.2 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 177.4 | -70 | -13.5 | 0 | 0 | 0 | 111.3 | I205 L211 E212 V213 | I205-D209 VanDerWaalsContact O-CG 3.29Å; I205-D209 PolarHBondContact O-N 3.24Å; D209-L211 VanDerWaalsContact C-N 3.34Å; D209-L211 PolarHBondContact O-N 3.16Å; D209-E212 PolarHBondContact O-N 2.99Å; D209-V213 WeakPolarHBondContact O-CB 3.27Å; D209-V213 VanDerWaalsContact O-CG2 3.27Å; D209-V213 WeakPolarHBondContact O-CG2 3.32Å; D209-V213 PolarHBondContact O-N 3.48Å |
| 210 | L | 96.9 | Very high | 96.9 | Very high | 103 Ų | 103 | 106.5 Ų | 106.5 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 176.9 | -75.1 | 174.6 | 0 | 0 | 0 | 112.2 | R206 Q207 A208 A214 | R206-L210 HydrophobicContact CG-CD1 4.37Å; R206-L210 WeakPolarHBondContact O-CB 3.48Å; R206-L210 VanDerWaalsContact O-CG 3.26Å; R206-L210 WeakPolarHBondContact O-CG 3.24Å; R206-L210 PolarHBondContact O-N 2.98Å; Q207-L210 PolarHBondContact O-N 3.38Å; A208-L210 PolarHBondContact O-N 3.45Å; L210-A214 WeakPolarHBondContact O-CB 3.39Å; L210-A214 PolarHBondContact O-N 3.38Å |
| 211 | L | 97.3 | Very high | 96.8 | Very high | 128 Ų | 128 | 109.6 Ų | 109.6 | 67% | 0.67 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 175.8 | -70.5 | 171.6 | 0 | 0 | 0 | 111.7 | Q207 A208 D209 A214 R215 | Q207-L211 VanDerWaalsContact O-CG 3.27Å; Q207-L211 WeakPolarHBondContact O-CG 3.36Å; Q207-L211 PolarHBondContact O-N 3.18Å; A208-L211 PolarHBondContact O-N 3.07Å; D209-L211 VanDerWaalsContact C-N 3.34Å; D209-L211 PolarHBondContact O-N 3.16Å; L211-A214 PolarHBondContact O-N 2.9Å; L211-R215 WeakPolarHBondContact O-CB 3.46Å; L211-R215 PolarHBondContact O-N 3.28Å |
| 212 | E | 94.7 | Very high | 96.8 | Very high | 115 Ų | 115 | 114.8 Ų | 114.8 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 174.9 | -176.8 | 172.4 | -179 | 0 | 0 | 111.4 | A208 D209 A214 R215 L216 | A208-E212 PolarHBondContact O-N 3.15Å; D209-E212 PolarHBondContact O-N 2.99Å; E212-A214 VanDerWaalsContact C-N 3.34Å; E212-A214 PolarHBondContact O-N 2.93Å; E212-R215 WeakPolarHBondContact O-CB 3.4Å; E212-R215 PolarHBondContact O-N 3.23Å; E212-R215 VanDerWaalsContact O-N 3.14Å; E212-L216 HydrophobicContact CG-CD1 4.06Å; E212-L216 HydrophobicContact CG-CG 4.36Å; E212-L216 WeakPolarHBondContact O-CG 3.23Å; E212-L216 PolarHBondContact O-N 3.43Å |
| 213 | V | 97.4 | Very high | 96.7 | Very high | 84 Ų | 84 | 111 Ų | 111 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | D209 R215 L216 T217 | D209-V213 WeakPolarHBondContact O-CB 3.27Å; D209-V213 VanDerWaalsContact O-CG2 3.27Å; D209-V213 WeakPolarHBondContact O-CG2 3.32Å; D209-V213 PolarHBondContact O-N 3.48Å; V213-R215 VanDerWaalsContact C-N 3.33Å; V213-R215 PolarHBondContact O-N 2.93Å; V213-L216 PolarHBondContact O-N 2.93Å; V213-T217 HydrophobicContact CG1-CG2 4.16Å; V213-T217 WeakPolarHBondContact O-CB 3.41Å; V213-T217 VanDerWaalsContact O-CG2 3.27Å; V213-T217 WeakPolarHBondContact O-CG2 3.31Å; V213-T217 PolarHBondContact O-N 2.79Å; V213-T217 PolarHBondContact O-OG1 3.38Å |
| 214 | A | 96.7 | Very high | 96.6 | Very high | 52 Ų | 52 | 111.6 Ų | 111.6 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L210 L211 E212 T217 E218 | L210-A214 WeakPolarHBondContact O-CB 3.39Å; L210-A214 PolarHBondContact O-N 3.38Å; L211-A214 PolarHBondContact O-N 2.9Å; E212-A214 VanDerWaalsContact C-N 3.34Å; E212-A214 PolarHBondContact O-N 2.93Å; A214-T217 WeakPolarHBondContact CA-OG1 3.42Å; A214-T217 PolarHBondContact O-OG1 3.46Å; A214-E218 WeakPolarHBondContact O-CB 3.48Å; A214-E218 PolarHBondContact O-N 3.09Å |
| 215 | R | 96.6 | Very high | 96.6 | Very high | 201 Ų | 201 | 108.4 Ų | 108.4 | 76% | 0.758 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 176.1 | -177.2 | -174.4 | 177.9 | -170.8 | 0.7 | 112.2 | L211 E212 V213 R219 | L211-R215 WeakPolarHBondContact O-CB 3.46Å; L211-R215 PolarHBondContact O-N 3.28Å; E212-R215 WeakPolarHBondContact O-CB 3.4Å; E212-R215 PolarHBondContact O-N 3.23Å; E212-R215 VanDerWaalsContact O-N 3.14Å; V213-R215 VanDerWaalsContact C-N 3.33Å; V213-R215 PolarHBondContact O-N 2.93Å; R215-R219 WeakPolarHBondContact O-CB 3.32Å; R215-R219 PolarHBondContact O-N 3.1Å; R215-R219 VanDerWaalsContact O-N 3.11Å |
| 216 | L | 96.3 | Very high | 96.6 | Very high | 77 Ų | 77 | 108.1 Ų | 108.1 | 40% | 0.403 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69 | -46.1 | 179.6 | -71.8 | 175.4 | 0 | 0 | 0 | 111.5 | E212 V213 E218 R219 E220 | E212-L216 HydrophobicContact CG-CD1 4.06Å; E212-L216 HydrophobicContact CG-CG 4.36Å; E212-L216 WeakPolarHBondContact O-CG 3.23Å; E212-L216 PolarHBondContact O-N 3.43Å; V213-L216 PolarHBondContact O-N 2.93Å; L216-E218 PolarHBondContact O-N 3.37Å; L216-R219 WeakPolarHBondContact O-CB 3.34Å; L216-R219 PolarHBondContact O-N 3Å; L216-R219 VanDerWaalsContact O-N 3.17Å; L216-E220 WeakPolarHBondContact O-CG 3.36Å; L216-E220 PolarHBondContact O-N 2.97Å |
| 217 | T | 95.8 | Very high | 96.6 | Very high | 74 Ų | 74 | 107 Ų | 107 | 45% | 0.454 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 177.8 | 51.4 | 0 | 0 | 0 | 0 | 112 | V213 A214 E220 R221 | V213-T217 HydrophobicContact CG1-CG2 4.16Å; V213-T217 WeakPolarHBondContact O-CB 3.41Å; V213-T217 VanDerWaalsContact O-CG2 3.27Å; V213-T217 WeakPolarHBondContact O-CG2 3.31Å; V213-T217 PolarHBondContact O-N 2.79Å; V213-T217 PolarHBondContact O-OG1 3.38Å; A214-T217 WeakPolarHBondContact CA-OG1 3.42Å; A214-T217 PolarHBondContact O-OG1 3.46Å; T217-E220 PolarHBondContact O-N 3.31Å; T217-R221 WeakPolarHBondContact O-CB 3.48Å; T217-R221 PolarHBondContact O-N 3.34Å |
| 218 | E | 96.7 | Very high | 96.6 | Very high | 103 Ų | 103 | 107.6 Ų | 107.6 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 175.3 | -164.9 | -177.8 | 168.3 | 0 | 0 | 111.8 | A214 L216 R221 R222 | A214-E218 WeakPolarHBondContact O-CB 3.48Å; A214-E218 PolarHBondContact O-N 3.09Å; L216-E218 PolarHBondContact O-N 3.37Å; E218-R221 PolarHBondContact O-N 3.05Å; E218-R222 WeakPolarHBondContact O-CG 3.49Å; E218-R222 PolarHBondContact O-N 3.29Å; E218-R222 IonicContact OE1-CZ 2.71Å; E218-R222 IonicContact OE1-NE 3.35Å; E218-R222 IonicContact OE1-NH2 3.38Å; E218-R222 PolarHBondContact OE1-NH2 2.98Å |
| 219 | R | 97.5 | Very high | 96.6 | Very high | 168 Ų | 168 | 112.8 Ų | 112.8 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 173.8 | -179.6 | -177.9 | -179.9 | 173.7 | 0.5 | 111.6 | R215 L216 R222 I223 | R215-R219 WeakPolarHBondContact O-CB 3.32Å; R215-R219 PolarHBondContact O-N 3.1Å; R215-R219 VanDerWaalsContact O-N 3.11Å; L216-R219 WeakPolarHBondContact O-CB 3.34Å; L216-R219 PolarHBondContact O-N 3Å; L216-R219 VanDerWaalsContact O-N 3.17Å; R219-R222 PolarHBondContact O-N 3.28Å; R219-I223 HydrophobicContact CG-CD1 3.95Å; R219-I223 WeakPolarHBondContact O-CG1 3.27Å; R219-I223 PolarHBondContact O-N 3.02Å |
| 220 | E | 95.7 | Very high | 96.6 | Very high | 112 Ų | 112 | 116.3 Ų | 116.3 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 177.9 | -77.1 | -178.3 | 171.8 | 0 | 0 | 111.5 | L216 T217 R222 I223 Q224 | L216-E220 WeakPolarHBondContact O-CG 3.36Å; L216-E220 PolarHBondContact O-N 2.97Å; T217-E220 PolarHBondContact O-N 3.31Å; E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 3.41Å; E220-I223 PolarHBondContact O-N 3.3Å; E220-I223 VanDerWaalsContact O-N 3.15Å; E220-Q224 WeakPolarHBondContact O-CB 3.31Å; E220-Q224 WeakPolarHBondContact O-CG 3.43Å; E220-Q224 PolarHBondContact O-N 3.44Å |
| 221 | R | 96.8 | Very high | 96.6 | Very high | 156 Ų | 156 | 118.2 Ų | 118.2 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -55.3 | -48.6 | 173.6 | -179.4 | -175.8 | 166.7 | 176.6 | 1.4 | 111.4 | T217 E218 I223 Q224 E225 | T217-R221 WeakPolarHBondContact O-CB 3.48Å; T217-R221 PolarHBondContact O-N 3.34Å; E218-R221 PolarHBondContact O-N 3.05Å; R221-I223 VanDerWaalsContact C-N 3.33Å; R221-I223 PolarHBondContact O-N 3.06Å; R221-Q224 PolarHBondContact O-N 3.45Å; R221-E225 HydrophobicContact CG-CG 4.5Å; R221-E225 IonicContact CZ-OE1 3.56Å; R221-E225 IonicContact NE-OE1 2.72Å; R221-E225 PolarHBondContact NE-OE1 3.03Å; R221-E225 IonicContact NH2-OE1 3.77Å; R221-E225 PolarHBondContact NH2-OE1 3.09Å; R221-E225 WeakPolarHBondContact O-CB 3.36Å; R221-E225 WeakPolarHBondContact O-CG 3.47Å; R221-E225 PolarHBondContact O-N 2.91Å |
| 222 | R | 97.3 | Very high | 96.6 | Very high | 153 Ų | 153 | 115 Ų | 115 | 58% | 0.577 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.1 | -42.1 | 177.1 | -70.1 | 174.7 | -170.1 | -172.7 | 5 | 112.2 | E218 R219 E220 E226 | E218-R222 WeakPolarHBondContact O-CG 3.49Å; E218-R222 PolarHBondContact O-N 3.29Å; E218-R222 IonicContact OE1-CZ 2.71Å; E218-R222 IonicContact OE1-NE 3.35Å; E218-R222 IonicContact OE1-NH2 3.38Å; E218-R222 PolarHBondContact OE1-NH2 2.98Å; R219-R222 PolarHBondContact O-N 3.28Å; E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 3.41Å; R222-E226 WeakPolarHBondContact O-CB 3.31Å; R222-E226 PolarHBondContact O-N 2.75Å |
| 223 | I | 96 | Very high | 96.7 | Very high | 63 Ų | 63 | 115.6 Ų | 115.6 | 32% | 0.323 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 178 | -69.5 | 167.8 | 0 | 0 | 0 | 111 | R219 E220 R221 E226 K227 | R219-I223 HydrophobicContact CG-CD1 3.95Å; R219-I223 WeakPolarHBondContact O-CG1 3.27Å; R219-I223 PolarHBondContact O-N 3.02Å; E220-I223 PolarHBondContact O-N 3.3Å; E220-I223 VanDerWaalsContact O-N 3.15Å; R221-I223 VanDerWaalsContact C-N 3.33Å; R221-I223 PolarHBondContact O-N 3.06Å; I223-E226 PolarHBondContact O-N 3.21Å; I223-K227 HydrophobicContact CG2-CD 4.01Å; I223-K227 HydrophobicContact CG2-CG 4.39Å; I223-K227 WeakPolarHBondContact O-CB 3.32Å; I223-K227 VanDerWaalsContact O-CG 3.24Å; I223-K227 WeakPolarHBondContact O-CG 3.48Å; I223-K227 PolarHBondContact O-N 3.45Å |
| 224 | Q | 95.2 | Very high | 96.7 | Very high | 111 Ų | 111 | 118 Ų | 118 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.4 | -49.4 | 176.7 | -74.1 | 169.9 | -4.2 | 0 | 0 | 110.7 | E220 R221 E226 K227 E228 | E220-Q224 WeakPolarHBondContact O-CB 3.31Å; E220-Q224 WeakPolarHBondContact O-CG 3.43Å; E220-Q224 PolarHBondContact O-N 3.44Å; R221-Q224 PolarHBondContact O-N 3.45Å; Q224-E226 VanDerWaalsContact C-N 3.3Å; Q224-E226 PolarHBondContact O-N 3.19Å; Q224-K227 PolarHBondContact O-N 3.41Å; Q224-K227 VanDerWaalsContact O-N 3.16Å; Q224-E228 WeakPolarHBondContact O-CG 3.28Å; Q224-E228 PolarHBondContact O-N 3.3Å |
| 225 | E | 97.5 | Very high | 96.7 | Very high | 67 Ų | 67 | 120.4 Ų | 120.4 | 31% | 0.313 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.1 | -41.2 | 176 | -71.5 | 176 | -172.5 | 0 | 0 | 111.5 | R221 R229 | R221-E225 HydrophobicContact CG-CG 4.5Å; R221-E225 IonicContact CZ-OE1 3.56Å; R221-E225 IonicContact NE-OE1 2.72Å; R221-E225 PolarHBondContact NE-OE1 3.03Å; R221-E225 IonicContact NH2-OE1 3.77Å; R221-E225 PolarHBondContact NH2-OE1 3.09Å; R221-E225 WeakPolarHBondContact O-CB 3.36Å; R221-E225 WeakPolarHBondContact O-CG 3.47Å; R221-E225 PolarHBondContact O-N 2.91Å; E225-R229 VanDerWaalsContact O-CG 3.27Å; E225-R229 WeakPolarHBondContact O-CG 3.48Å; E225-R229 PolarHBondContact O-N 3.03Å |
| 226 | E | 96.5 | Very high | 96.8 | Very high | 94 Ų | 94 | 112.8 Ų | 112.8 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 176 | -165.8 | -171.5 | 164.5 | 0 | 0 | 112.2 | R222 I223 Q224 E228 R229 R230 | R222-E226 WeakPolarHBondContact O-CB 3.31Å; R222-E226 PolarHBondContact O-N 2.75Å; I223-E226 PolarHBondContact O-N 3.21Å; Q224-E226 VanDerWaalsContact C-N 3.3Å; Q224-E226 PolarHBondContact O-N 3.19Å; E226-E228 VanDerWaalsContact C-N 3.31Å; E226-E228 PolarHBondContact O-N 3.33Å; E226-R229 PolarHBondContact O-N 2.99Å; E226-R230 WeakPolarHBondContact O-CG 3.44Å; E226-R230 PolarHBondContact O-N 3.44Å; E226-R230 IonicContact OE1-CZ 2.81Å; E226-R230 IonicContact OE1-NE 3.47Å; E226-R230 PolarHBondContact OE1-NE 3.26Å; E226-R230 IonicContact OE1-NH2 3.24Å; E226-R230 PolarHBondContact OE1-NH2 3.06Å |
| 227 | K | 97.2 | Very high | 96.8 | Very high | 129 Ų | 129 | 112.3 Ų | 112.3 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.3 | -43 | 175.8 | -79 | 174 | 179.1 | 178.4 | 0 | 111.3 | I223 Q224 R230 K231 | I223-K227 HydrophobicContact CG2-CD 4.01Å; I223-K227 HydrophobicContact CG2-CG 4.39Å; I223-K227 WeakPolarHBondContact O-CB 3.32Å; I223-K227 VanDerWaalsContact O-CG 3.24Å; I223-K227 WeakPolarHBondContact O-CG 3.48Å; I223-K227 PolarHBondContact O-N 3.45Å; Q224-K227 PolarHBondContact O-N 3.41Å; Q224-K227 VanDerWaalsContact O-N 3.16Å; K227-R230 PolarHBondContact O-N 2.96Å; K227-K231 WeakPolarHBondContact O-CG 3.32Å; K227-K231 PolarHBondContact O-N 2.95Å |
| 228 | E | 97 | Very high | 96.9 | Very high | 128 Ų | 128 | 111 Ų | 111 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -44.9 | 177 | -73.9 | 175.5 | -179.4 | 0 | 0 | 111.8 | Q224 E226 R230 K231 A232 | Q224-E228 WeakPolarHBondContact O-CG 3.28Å; Q224-E228 PolarHBondContact O-N 3.3Å; E226-E228 VanDerWaalsContact C-N 3.31Å; E226-E228 PolarHBondContact O-N 3.33Å; E228-R230 VanDerWaalsContact C-N 3.34Å; E228-R230 PolarHBondContact O-N 3.32Å; E228-K231 PolarHBondContact O-N 2.94Å; E228-A232 PolarHBondContact O-N 3.46Å |
| 229 | R | 97.5 | Very high | 96.9 | Very high | 165 Ų | 165 | 112 Ų | 112 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59 | -44.1 | 174.5 | -73.1 | 175 | -171.8 | -173.8 | 5.7 | 112.1 | E225 E226 A232 Q233 | E225-R229 VanDerWaalsContact O-CG 3.27Å; E225-R229 WeakPolarHBondContact O-CG 3.48Å; E225-R229 PolarHBondContact O-N 3.03Å; E226-R229 PolarHBondContact O-N 2.99Å; R229-A232 PolarHBondContact O-N 3.23Å; R229-Q233 WeakPolarHBondContact O-CG 3.48Å; R229-Q233 PolarHBondContact O-N 2.9Å |
| 230 | R | 97.1 | Very high | 96.8 | Very high | 160 Ų | 160 | 109.6 Ų | 109.6 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 176.9 | -72.3 | -170 | -171.5 | -163.9 | 3.7 | 112.1 | E226 K227 E228 Q233 F234 | E226-R230 WeakPolarHBondContact O-CG 3.44Å; E226-R230 PolarHBondContact O-N 3.44Å; E226-R230 IonicContact OE1-CZ 2.81Å; E226-R230 IonicContact OE1-NE 3.47Å; E226-R230 PolarHBondContact OE1-NE 3.26Å; E226-R230 IonicContact OE1-NH2 3.24Å; E226-R230 PolarHBondContact OE1-NH2 3.06Å; K227-R230 PolarHBondContact O-N 2.96Å; E228-R230 VanDerWaalsContact C-N 3.34Å; E228-R230 PolarHBondContact O-N 3.32Å; R230-Q233 PolarHBondContact O-N 3.48Å; R230-F234 WeakPolarHBondContact O-CB 3.48Å; R230-F234 PolarHBondContact O-N 3.35Å |
| 231 | K | 96.3 | Very high | 96.9 | Very high | 142 Ų | 142 | 109.6 Ų | 109.6 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -46.4 | 174.4 | -76.1 | 176.4 | 179.3 | -176.1 | 0 | 111.4 | K227 E228 Q233 F234 L235 | K227-K231 WeakPolarHBondContact O-CG 3.32Å; K227-K231 PolarHBondContact O-N 2.95Å; E228-K231 PolarHBondContact O-N 2.94Å; K231-Q233 PolarHBondContact O-N 2.85Å; K231-F234 PolarHBondContact O-N 3.42Å; K231-L235 WeakPolarHBondContact O-CG 3.37Å; K231-L235 PolarHBondContact O-N 2.95Å |
| 232 | A | 97.4 | Very high | 96.9 | Very high | 60 Ų | 60 | 108.5 Ų | 108.5 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E228 R229 L235 A236 | E228-A232 PolarHBondContact O-N 3.46Å; R229-A232 PolarHBondContact O-N 3.23Å; A232-L235 PolarHBondContact O-N 2.9Å; A232-A236 WeakPolarHBondContact O-CB 3.5Å; A232-A236 PolarHBondContact O-N 3.23Å |
| 233 | Q | 97.1 | Very high | 96.9 | Very high | 129 Ų | 129 | 106.2 Ų | 106.2 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.4 | -45.1 | 174.8 | -72.4 | 172.2 | 5.8 | 0 | 0 | 111.9 | R229 R230 K231 A236 V237 | R229-Q233 WeakPolarHBondContact O-CG 3.48Å; R229-Q233 PolarHBondContact O-N 2.9Å; R230-Q233 PolarHBondContact O-N 3.48Å; K231-Q233 PolarHBondContact O-N 2.85Å; Q233-A236 PolarHBondContact O-N 3.36Å; Q233-V237 VanDerWaalsContact O-CG2 3.31Å; Q233-V237 WeakPolarHBondContact O-CG2 3.49Å; Q233-V237 PolarHBondContact O-N 3.34Å |
| 234 | F | 97.4 | Very high | 96.9 | Very high | 134 Ų | 134 | 108.1 Ų | 108.1 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -42.6 | 179.2 | -178.9 | -108.6 | 0 | 0 | 0 | 112.3 | R230 K231 V237 I238 | R230-F234 WeakPolarHBondContact O-CB 3.48Å; R230-F234 PolarHBondContact O-N 3.35Å; K231-F234 PolarHBondContact O-N 3.42Å; F234-V237 PolarHBondContact O-N 3.41Å; F234-I238 HydrophobicContact CD1-CD1 3.66Å; F234-I238 HydrophobicContact CE1-CD1 3.2Å; F234-I238 HydrophobicContact CE1-CG1 4.25Å; F234-I238 HydrophobicContact CE2-CD1 4.22Å; F234-I238 HydrophobicContact CE2-CG1 4.49Å; F234-I238 HydrophobicContact CG-CD1 4.36Å; F234-I238 HydrophobicContact CZ-CD1 3.52Å; F234-I238 HydrophobicContact CZ-CG1 4.21Å; F234-I238 WeakPolarHBondContact O-CG1 3.3Å; F234-I238 PolarHBondContact O-N 3.24Å |
| 235 | L | 96.9 | Very high | 97 | Very high | 103 Ų | 103 | 107 Ų | 107 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.1 | -71.4 | 172.6 | 0 | 0 | 0 | 111.8 | K231 A232 V237 I238 E239 | K231-L235 WeakPolarHBondContact O-CG 3.37Å; K231-L235 PolarHBondContact O-N 2.95Å; A232-L235 PolarHBondContact O-N 2.9Å; L235-V237 VanDerWaalsContact C-N 3.31Å; L235-V237 PolarHBondContact O-N 3.07Å; L235-I238 PolarHBondContact O-N 3.04Å; L235-E239 PolarHBondContact O-N 3.42Å |
| 236 | A | 97.1 | Very high | 96.9 | Very high | 41 Ų | 41 | 108 Ų | 108 | 34% | 0.339 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A232 Q233 E239 Q240 | A232-A236 WeakPolarHBondContact O-CB 3.5Å; A232-A236 PolarHBondContact O-N 3.23Å; Q233-A236 PolarHBondContact O-N 3.36Å; A236-E239 PolarHBondContact O-N 3.22Å; A236-Q240 WeakPolarHBondContact O-CG 3.43Å; A236-Q240 PolarHBondContact O-N 2.85Å |
| 237 | V | 96.6 | Very high | 96.9 | Very high | 66 Ų | 66 | 109.3 Ų | 109.3 | 40% | 0.4 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 111 | Q233 F234 L235 E239 Q240 E241 | Q233-V237 VanDerWaalsContact O-CG2 3.31Å; Q233-V237 WeakPolarHBondContact O-CG2 3.49Å; Q233-V237 PolarHBondContact O-N 3.34Å; F234-V237 PolarHBondContact O-N 3.41Å; L235-V237 VanDerWaalsContact C-N 3.31Å; L235-V237 PolarHBondContact O-N 3.07Å; V237-E239 VanDerWaalsContact C-N 3.31Å; V237-E239 PolarHBondContact O-N 2.87Å; V237-Q240 PolarHBondContact O-N 3.28Å; V237-E241 HydrophobicContact CG1-CG 4.4Å; V237-E241 WeakPolarHBondContact O-CG 3.42Å; V237-E241 PolarHBondContact O-N 3.06Å |
| 238 | I | 97.5 | Very high | 96.9 | Very high | 46 Ų | 46 | 107.4 Ų | 107.4 | 24% | 0.236 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 176.3 | -74 | 168.7 | 0 | 0 | 0 | 111.4 | F234 L235 E241 K242 | F234-I238 HydrophobicContact CD1-CD1 3.66Å; F234-I238 HydrophobicContact CE1-CD1 3.2Å; F234-I238 HydrophobicContact CE1-CG1 4.25Å; F234-I238 HydrophobicContact CE2-CD1 4.22Å; F234-I238 HydrophobicContact CE2-CG1 4.49Å; F234-I238 HydrophobicContact CG-CD1 4.36Å; F234-I238 HydrophobicContact CZ-CD1 3.52Å; F234-I238 HydrophobicContact CZ-CG1 4.21Å; F234-I238 WeakPolarHBondContact O-CG1 3.3Å; F234-I238 PolarHBondContact O-N 3.24Å; L235-I238 PolarHBondContact O-N 3.04Å; I238-E241 PolarHBondContact O-N 3.21Å; I238-K242 HydrophobicContact CG2-CD 4.22Å; I238-K242 WeakPolarHBondContact O-CG 3.22Å; I238-K242 PolarHBondContact O-N 2.88Å |
| 239 | E | 96.9 | Very high | 96.8 | Very high | 126 Ų | 126 | 104.1 Ų | 104.1 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -45.8 | 177.1 | -74.5 | 176.3 | 178.3 | 0 | 0 | 111.2 | L235 A236 V237 E241 K242 E243 | L235-E239 PolarHBondContact O-N 3.42Å; A236-E239 PolarHBondContact O-N 3.22Å; V237-E239 VanDerWaalsContact C-N 3.31Å; V237-E239 PolarHBondContact O-N 2.87Å; E239-E241 VanDerWaalsContact C-N 3.34Å; E239-E241 PolarHBondContact O-N 3.19Å; E239-K242 WeakPolarHBondContact O-CB 3.4Å; E239-K242 PolarHBondContact O-N 2.92Å; E239-E243 PolarHBondContact O-N 3.48Å |
| 240 | Q | 96.8 | Very high | 96.7 | Very high | 116 Ų | 116 | 99 Ų | 99 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.4 | -70.9 | 175.8 | 9.7 | 0 | 0 | 112.3 | A236 V237 E243 L244 | A236-Q240 WeakPolarHBondContact O-CG 3.43Å; A236-Q240 PolarHBondContact O-N 2.85Å; V237-Q240 PolarHBondContact O-N 3.28Å; Q240-E243 PolarHBondContact O-N 3.23Å; Q240-L244 WeakPolarHBondContact O-CB 3.37Å; Q240-L244 VanDerWaalsContact O-CG 3.22Å; Q240-L244 WeakPolarHBondContact O-CG 3.39Å; Q240-L244 PolarHBondContact O-N 3.47Å |
| 241 | E | 97.3 | Very high | 96.6 | Very high | 112 Ų | 112 | 96.6 Ų | 96.6 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 175.6 | -75.3 | 179.5 | 172 | 0 | 0 | 111.9 | V237 I238 E239 L244 T245 | V237-E241 HydrophobicContact CG1-CG 4.4Å; V237-E241 WeakPolarHBondContact O-CG 3.42Å; V237-E241 PolarHBondContact O-N 3.06Å; I238-E241 PolarHBondContact O-N 3.21Å; E239-E241 VanDerWaalsContact C-N 3.34Å; E239-E241 PolarHBondContact O-N 3.19Å; E241-L244 PolarHBondContact O-N 2.85Å; E241-T245 WeakPolarHBondContact O-CB 3.3Å; E241-T245 VanDerWaalsContact O-CG2 3.26Å; E241-T245 WeakPolarHBondContact O-CG2 3.44Å; E241-T245 PolarHBondContact O-N 2.91Å; E241-T245 PolarHBondContact O-OG1 3Å |
| 242 | K | 96.5 | Very high | 96.6 | Very high | 134 Ų | 134 | 92.6 Ų | 92.6 | 58% | 0.583 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 173.8 | -71.9 | 174.6 | -179 | 178.7 | 0 | 112 | I238 E239 T245 T246 | I238-K242 HydrophobicContact CG2-CD 4.22Å; I238-K242 WeakPolarHBondContact O-CG 3.22Å; I238-K242 PolarHBondContact O-N 2.88Å; E239-K242 WeakPolarHBondContact O-CB 3.4Å; E239-K242 PolarHBondContact O-N 2.92Å; K242-T245 VanDerWaalsContact CA-OG1 3.3Å; K242-T245 WeakPolarHBondContact CA-OG1 3.26Å; K242-T245 PolarHBondContact O-OG1 3.49Å; K242-T246 VanDerWaalsContact O-CG2 3.28Å; K242-T246 WeakPolarHBondContact O-CG2 3.28Å; K242-T246 PolarHBondContact O-N 2.96Å; K242-T246 PolarHBondContact O-OG1 3.03Å |
| 243 | E | 97.4 | Very high | 96.4 | Very high | 104 Ų | 104 | 96.8 Ų | 96.8 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 174.3 | -72.2 | -173.1 | -168.9 | 0 | 0 | 112.6 | E239 Q240 T246 K247 | E239-E243 PolarHBondContact O-N 3.48Å; Q240-E243 PolarHBondContact O-N 3.23Å; E243-T246 WeakPolarHBondContact CA-OG1 3.19Å; E243-T246 PolarHBondContact O-OG1 3.44Å; E243-K247 WeakPolarHBondContact O-CB 3.4Å; E243-K247 WeakPolarHBondContact O-CD 3.42Å; E243-K247 WeakPolarHBondContact O-CG 3.4Å; E243-K247 PolarHBondContact O-N 3.4Å; E243-K247 IonicContact OE2-NZ 3.63Å; E243-K247 PolarHBondContact OE2-NZ 3Å |
| 244 | L | 96.2 | Very high | 96.3 | Very high | 104 Ų | 104 | 92.7 Ų | 92.7 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 179.4 | -73.7 | 173.5 | 0 | 0 | 0 | 111.1 | Q240 E241 T246 K247 V248 | Q240-L244 WeakPolarHBondContact O-CB 3.37Å; Q240-L244 VanDerWaalsContact O-CG 3.22Å; Q240-L244 WeakPolarHBondContact O-CG 3.39Å; Q240-L244 PolarHBondContact O-N 3.47Å; E241-L244 PolarHBondContact O-N 2.85Å; L244-T246 PolarHBondContact O-N 3.32Å; L244-K247 PolarHBondContact O-N 2.84Å; L244-V248 WeakPolarHBondContact O-CB 3.27Å; L244-V248 VanDerWaalsContact O-CG2 3.27Å; L244-V248 WeakPolarHBondContact O-CG2 3.45Å; L244-V248 PolarHBondContact O-N 2.97Å |
| 245 | T | 96 | Very high | 96.1 | Very high | 88 Ų | 88 | 92.8 Ų | 92.8 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 176.5 | 49.2 | 0 | 0 | 0 | 0 | 112.1 | E241 K242 V248 A249 | E241-T245 WeakPolarHBondContact O-CB 3.3Å; E241-T245 VanDerWaalsContact O-CG2 3.26Å; E241-T245 WeakPolarHBondContact O-CG2 3.44Å; E241-T245 PolarHBondContact O-N 2.91Å; E241-T245 PolarHBondContact O-OG1 3Å; K242-T245 VanDerWaalsContact CA-OG1 3.3Å; K242-T245 WeakPolarHBondContact CA-OG1 3.26Å; K242-T245 PolarHBondContact O-OG1 3.49Å; T245-V248 PolarHBondContact O-N 2.85Å; T245-A249 VanDerWaalsContact O-CB 3.28Å; T245-A249 WeakPolarHBondContact O-CB 3.42Å; T245-A249 PolarHBondContact O-N 3.26Å |
| 246 | T | 96.3 | Very high | 95.8 | Very high | 88 Ų | 88 | 90.5 Ų | 90.5 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 175.1 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | K242 E243 L244 A249 A250 | K242-T246 VanDerWaalsContact O-CG2 3.28Å; K242-T246 WeakPolarHBondContact O-CG2 3.28Å; K242-T246 PolarHBondContact O-N 2.96Å; K242-T246 PolarHBondContact O-OG1 3.03Å; E243-T246 WeakPolarHBondContact CA-OG1 3.19Å; E243-T246 PolarHBondContact O-OG1 3.44Å; L244-T246 PolarHBondContact O-N 3.32Å; T246-A249 PolarHBondContact O-N 3.47Å; T246-A250 WeakPolarHBondContact O-CB 3.37Å; T246-A250 PolarHBondContact O-N 3.09Å |
| 247 | K | 97.5 | Very high | 95.5 | Very high | 121 Ų | 121 | 95.4 Ų | 95.4 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 174.6 | -73.5 | 166.7 | -172.1 | 161.5 | 0 | 112 | E243 L244 A250 Q251 | E243-K247 WeakPolarHBondContact O-CB 3.4Å; E243-K247 WeakPolarHBondContact O-CD 3.42Å; E243-K247 WeakPolarHBondContact O-CG 3.4Å; E243-K247 PolarHBondContact O-N 3.4Å; E243-K247 IonicContact OE2-NZ 3.63Å; E243-K247 PolarHBondContact OE2-NZ 3Å; L244-K247 PolarHBondContact O-N 2.84Å; K247-A250 PolarHBondContact O-N 3.28Å; K247-Q251 WeakPolarHBondContact O-CB 3.4Å; K247-Q251 PolarHBondContact O-N 3.35Å |
| 248 | V | 96.1 | Very high | 95.2 | Very high | 88 Ų | 88 | 97.5 Ų | 97.5 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | L244 T245 Q251 A252 | L244-V248 WeakPolarHBondContact O-CB 3.27Å; L244-V248 VanDerWaalsContact O-CG2 3.27Å; L244-V248 WeakPolarHBondContact O-CG2 3.45Å; L244-V248 PolarHBondContact O-N 2.97Å; T245-V248 PolarHBondContact O-N 2.85Å; V248-Q251 PolarHBondContact O-N 3.29Å; V248-A252 WeakPolarHBondContact O-CB 3.28Å; V248-A252 PolarHBondContact O-N 2.84Å |
| 249 | A | 94.8 | Very high | 94.8 | Very high | 59 Ų | 59 | 98.4 Ų | 98.4 | 49% | 0.488 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T245 T246 Q251 A252 F253 | T245-A249 VanDerWaalsContact O-CB 3.28Å; T245-A249 WeakPolarHBondContact O-CB 3.42Å; T245-A249 PolarHBondContact O-N 3.26Å; T246-A249 PolarHBondContact O-N 3.47Å; A249-Q251 VanDerWaalsContact C-N 3.34Å; A249-Q251 PolarHBondContact O-N 2.87Å; A249-A252 PolarHBondContact O-N 3.06Å; A249-F253 WeakPolarHBondContact O-CB 3.35Å; A249-F253 PolarHBondContact O-N 2.96Å |
| 250 | A | 95.6 | Very high | 94.4 | Very high | 59 Ų | 59 | 96.8 Ų | 96.8 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T246 K247 F253 A254 | T246-A250 WeakPolarHBondContact O-CB 3.37Å; T246-A250 PolarHBondContact O-N 3.09Å; K247-A250 PolarHBondContact O-N 3.28Å; A250-F253 PolarHBondContact O-N 3.35Å; A250-A254 WeakPolarHBondContact O-CB 3.34Å; A250-A254 PolarHBondContact O-N 2.88Å |
| 251 | Q | 95.7 | Very high | 94.2 | Very high | 109 Ų | 109 | 94.4 Ų | 94.4 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 175.2 | -172.1 | -173.3 | 12.7 | 0 | 0 | 111.8 | K247 V248 A249 A254 K255 | K247-Q251 WeakPolarHBondContact O-CB 3.4Å; K247-Q251 PolarHBondContact O-N 3.35Å; V248-Q251 PolarHBondContact O-N 3.29Å; A249-Q251 VanDerWaalsContact C-N 3.34Å; A249-Q251 PolarHBondContact O-N 2.87Å; Q251-A254 PolarHBondContact O-N 2.85Å; Q251-K255 WeakPolarHBondContact O-CG 3.34Å; Q251-K255 PolarHBondContact O-N 3.29Å |
| 252 | A | 94.9 | Very high | 93.7 | Very high | 57 Ų | 57 | 95.4 Ų | 95.4 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V248 A249 K255 A256 | V248-A252 WeakPolarHBondContact O-CB 3.28Å; V248-A252 PolarHBondContact O-N 2.84Å; A249-A252 PolarHBondContact O-N 3.06Å; A252-K255 PolarHBondContact O-N 2.86Å; A252-A256 PolarHBondContact O-N 3.46Å |
| 253 | F | 93.9 | Very high | 93.3 | Very high | 149 Ų | 149 | 92.9 Ų | 92.9 | 65% | 0.654 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.1 | -48.1 | 175 | 177.6 | -98.4 | 0 | 0 | 0 | 111.7 | A249 A250 K255 A256 Y257 | A249-F253 WeakPolarHBondContact O-CB 3.35Å; A249-F253 PolarHBondContact O-N 2.96Å; A250-F253 PolarHBondContact O-N 3.35Å; F253-K255 VanDerWaalsContact C-N 3.32Å; F253-K255 PolarHBondContact O-N 3.38Å; F253-A256 PolarHBondContact O-N 3.4Å; F253-Y257 WeakPolarHBondContact O-CB 3.17Å; F253-Y257 PolarHBondContact O-N 2.83Å |
| 254 | A | 94.8 | Very high | 93 | Very high | 42 Ų | 42 | 93.1 Ų | 93.1 | 35% | 0.347 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | A250 Q251 L258 | A250-A254 WeakPolarHBondContact O-CB 3.34Å; A250-A254 PolarHBondContact O-N 2.88Å; Q251-A254 PolarHBondContact O-N 2.85Å; A254-L258 VanDerWaalsContact O-CB 3.28Å; A254-L258 WeakPolarHBondContact O-CB 3.34Å; A254-L258 WeakPolarHBondContact O-CG 3.39Å; A254-L258 PolarHBondContact O-N 3.3Å |
| 255 | K | 93.7 | Very high | 92.7 | Very high | 136 Ų | 136 | 91.3 Ų | 91.3 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 176.2 | -76.6 | 178.3 | 179.7 | 178.9 | 0 | 112.3 | Q251 A252 F253 A259 | Q251-K255 WeakPolarHBondContact O-CG 3.34Å; Q251-K255 PolarHBondContact O-N 3.29Å; A252-K255 PolarHBondContact O-N 2.86Å; F253-K255 VanDerWaalsContact C-N 3.32Å; F253-K255 PolarHBondContact O-N 3.38Å; K255-A259 WeakPolarHBondContact O-CB 3.28Å; K255-A259 PolarHBondContact O-N 2.94Å |
| 256 | A | 90.2 | Very high | 92.4 | Very high | 56 Ų | 56 | 91.7 Ų | 91.7 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | A252 F253 L258 A259 D260 | A252-A256 PolarHBondContact O-N 3.46Å; F253-A256 PolarHBondContact O-N 3.4Å; A256-L258 PolarHBondContact O-N 3.26Å; A256-A259 WeakPolarHBondContact O-CB 3.4Å; A256-A259 PolarHBondContact O-N 3.48Å; A256-D260 PolarHBondContact O-N 3.27Å |
| 257 | Y | 90 | Very high | 92.1 | Very high | 144 Ų | 144 | 91.1 Ų | 91.1 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.2 | -43.9 | 177.7 | -175.2 | -97.5 | 0 | 0 | 0 | 112.5 | F253 L261 | F253-Y257 WeakPolarHBondContact O-CB 3.17Å; F253-Y257 PolarHBondContact O-N 2.83Å; Y257-L261 HydrophobicContact CE1-CD1 4.29Å; Y257-L261 WeakPolarHBondContact O-CB 3.48Å; Y257-L261 PolarHBondContact O-N 2.88Å |
| 258 | L | 90.9 | Very high | 91.8 | Very high | 110 Ų | 110 | 89.6 Ų | 89.6 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.5 | -29.5 | 178.7 | -71.2 | 174.6 | 0 | 0 | 0 | 113.2 | A254 A256 L261 | A254-L258 VanDerWaalsContact O-CB 3.28Å; A254-L258 WeakPolarHBondContact O-CB 3.34Å; A254-L258 WeakPolarHBondContact O-CG 3.39Å; A254-L258 PolarHBondContact O-N 3.3Å; A256-L258 PolarHBondContact O-N 3.26Å; L258-L261 HydrophobicContact CD2-CD2 3.93Å |
| 259 | A | 90.2 | Very high | 91.5 | Very high | 64 Ų | 64 | 88.1 Ų | 88.1 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K255 A256 | K255-A259 WeakPolarHBondContact O-CB 3.28Å; K255-A259 PolarHBondContact O-N 2.94Å; A256-A259 WeakPolarHBondContact O-CB 3.4Å; A256-A259 PolarHBondContact O-N 3.48Å |
| 260 | D | 87.5 | Confident | 91 | Very high | 93 Ų | 93 | 88.7 Ų | 88.7 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -87.3 | -15.3 | -178.7 | -61.6 | -27.4 | 0 | 0 | 0 | 112.7 | A256 Q262 T263 H264 | A256-D260 PolarHBondContact O-N 3.27Å; D260-Q262 VanDerWaalsContact C-N 3.29Å; D260-Q262 PolarHBondContact O-N 3.48Å; D260-T263 PolarHBondContact O-N 3.28Å; D260-H264 WeakPolarHBondContact O-CB 3.45Å; D260-H264 PolarHBondContact O-CD2 2.86Å; D260-H264 PolarHBondContact O-N 3.39Å |
| 261 | L | 92.1 | Very high | 90.5 | Very high | 66 Ų | 66 | 93.3 Ų | 93.3 | 35% | 0.346 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.3 | -41.9 | -178.8 | -177.1 | 66 | 0 | 0 | 0 | 112.4 | Y257 L258 H264 V265 | Y257-L261 HydrophobicContact CE1-CD1 4.29Å; Y257-L261 WeakPolarHBondContact O-CB 3.48Å; Y257-L261 PolarHBondContact O-N 2.88Å; L258-L261 HydrophobicContact CD2-CD2 3.93Å; L261-H264 PolarHBondContact O-N 3.01Å; L261-V265 HydrophobicContact CD1-CG2 3.94Å; L261-V265 HydrophobicContact CG-CG2 4.22Å; L261-V265 WeakPolarHBondContact O-CB 3.19Å; L261-V265 WeakPolarHBondContact O-CG2 3.32Å; L261-V265 PolarHBondContact O-N 3.49Å |
| 262 | Q | 88.2 | Confident | 90.1 | Very high | 133 Ų | 133 | 93.3 Ų | 93.3 | 62% | 0.621 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.9 | -53.6 | 179.4 | -176.8 | 175.9 | -4.1 | 0 | 0 | 110.4 | D260 H264 V265 F266 | D260-Q262 VanDerWaalsContact C-N 3.29Å; D260-Q262 PolarHBondContact O-N 3.48Å; Q262-H264 PolarHBondContact O-N 2.83Å; Q262-V265 PolarHBondContact O-N 3.46Å; Q262-F266 HydrophobicContact CG-CD2 3.65Å; Q262-F266 HydrophobicContact CG-CE2 3.6Å; Q262-F266 WeakPolarHBondContact O-CD2 3.18Å; Q262-F266 PolarHBondContact O-N 2.9Å |
| 263 | T | 88.4 | Confident | 89.3 | Confident | 80 Ų | 80 | 92.7 Ų | 92.7 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 179.8 | -49.3 | 0 | 0 | 0 | 0 | 111.4 | D260 V265 F266 N267 | D260-T263 PolarHBondContact O-N 3.28Å; T263-V265 PolarHBondContact O-N 3.28Å; T263-F266 PolarHBondContact O-N 2.97Å; T263-N267 WeakPolarHBondContact O-CB 3.34Å; T263-N267 PolarHBondContact O-N 3.34Å; T263-N267 PolarHBondContact O-OD1 3.19Å |
| 264 | H | 89.2 | Confident | 88.7 | Confident | 110 Ų | 110 | 93 Ų | 93 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.7 | -80.7 | -61.6 | 0 | 0 | 0 | 112.9 | D260 L261 Q262 N268 | D260-H264 WeakPolarHBondContact O-CB 3.45Å; D260-H264 PolarHBondContact O-CD2 2.86Å; D260-H264 PolarHBondContact O-N 3.39Å; L261-H264 PolarHBondContact O-N 3.01Å; Q262-H264 PolarHBondContact O-N 2.83Å; H264-N268 VanDerWaalsContact O-CB 3.26Å; H264-N268 WeakPolarHBondContact O-CB 3.21Å; H264-N268 PolarHBondContact O-N 2.92Å; H264-N268 PolarHBondContact O-ND2 3.29Å |
| 265 | V | 91.2 | Very high | 87.9 | Confident | 65 Ų | 65 | 95.8 Ų | 95.8 | 39% | 0.394 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 177.7 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L261 Q262 T263 L269 | L261-V265 HydrophobicContact CD1-CG2 3.94Å; L261-V265 HydrophobicContact CG-CG2 4.22Å; L261-V265 WeakPolarHBondContact O-CB 3.19Å; L261-V265 WeakPolarHBondContact O-CG2 3.32Å; L261-V265 PolarHBondContact O-N 3.49Å; Q262-V265 PolarHBondContact O-N 3.46Å; T263-V265 PolarHBondContact O-N 3.28Å; V265-L269 HydrophobicContact CG1-CD1 3.75Å; V265-L269 HydrophobicContact CG1-CG 4.36Å; V265-L269 VanDerWaalsContact O-CB 3.3Å; V265-L269 WeakPolarHBondContact O-CB 3.3Å; V265-L269 WeakPolarHBondContact O-CG 3.26Å; V265-L269 PolarHBondContact O-N 3.08Å |
| 266 | F | 88.8 | Confident | 87 | Confident | 97 Ų | 97 | 95.3 Ų | 95.3 | 43% | 0.425 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 176.6 | -82.4 | -71.3 | 0 | 0 | 0 | 112.1 | Q262 T263 L269 T270 F275 | Q262-F266 HydrophobicContact CG-CD2 3.65Å; Q262-F266 HydrophobicContact CG-CE2 3.6Å; Q262-F266 WeakPolarHBondContact O-CD2 3.18Å; Q262-F266 PolarHBondContact O-N 2.9Å; T263-F266 PolarHBondContact O-N 2.97Å; F266-L269 CarbonylContact O-C 3.6Å; F266-L269 PolarHBondContact O-N 3.18Å; F266-T270 WeakPolarHBondContact O-CG2 3.23Å; F266-T270 PolarHBondContact O-N 3.27Å; F266-T270 PolarHBondContact O-OG1 3Å; F266-F275 AromaticContact CD1-CE2 3.77Å; F266-F275 HydrophobicContact CD1-CE2 3.77Å; F266-F275 AromaticContact CD1-CZ 3.62Å; F266-F275 HydrophobicContact CD1-CZ 3.62Å; F266-F275 HydrophobicContact CE1-CE2 4.34Å; F266-F275 AromaticContact CE1-CZ 3.71Å; F266-F275 HydrophobicContact CE1-CZ 3.71Å |
| 267 | N | 89.6 | Confident | 86.5 | Confident | 75 Ų | 75 | 96.2 Ų | 96.2 | 40% | 0.401 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 177.1 | -69.2 | -3.9 | 0 | 0 | 0 | 111.6 | T263 L269 T270 E271 | T263-N267 WeakPolarHBondContact O-CB 3.34Å; T263-N267 PolarHBondContact O-N 3.34Å; T263-N267 PolarHBondContact O-OD1 3.19Å; N267-L269 VanDerWaalsContact C-N 3.32Å; N267-L269 PolarHBondContact O-N 2.94Å; N267-T270 VanDerWaalsContact CA-OG1 3.26Å; N267-T270 WeakPolarHBondContact CA-OG1 3.31Å; N267-T270 PolarHBondContact O-N 2.88Å; N267-T270 PolarHBondContact O-OG1 3.39Å; N267-E271 WeakPolarHBondContact O-CB 3.38Å; N267-E271 VanDerWaalsContact O-CG 3.31Å; N267-E271 WeakPolarHBondContact O-CG 3.39Å; N267-E271 PolarHBondContact O-N 3.04Å |
| 268 | N | 91.7 | Very high | 86.1 | Confident | 90 Ų | 90 | 93.4 Ų | 93.4 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 175.3 | -72.5 | -21.6 | 0 | 0 | 0 | 111.6 | H264 T272 | H264-N268 VanDerWaalsContact O-CB 3.26Å; H264-N268 WeakPolarHBondContact O-CB 3.21Å; H264-N268 PolarHBondContact O-N 2.92Å; H264-N268 PolarHBondContact O-ND2 3.29Å; N268-T272 WeakPolarHBondContact O-CB 3.39Å; N268-T272 VanDerWaalsContact O-CG2 3.25Å; N268-T272 WeakPolarHBondContact O-CG2 3.26Å; N268-T272 PolarHBondContact O-N 3.34Å; N268-T272 PolarHBondContact O-OG1 2.86Å |
| 269 | L | 89.8 | Confident | 85.8 | Confident | 56 Ų | 56 | 92.3 Ų | 92.3 | 29% | 0.293 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.9 | -34.3 | 175.9 | -74.9 | 170.1 | 0 | 0 | 0 | 112.4 | V265 F266 N267 T272 G273 Y274 F275 | V265-L269 HydrophobicContact CG1-CD1 3.75Å; V265-L269 HydrophobicContact CG1-CG 4.36Å; V265-L269 VanDerWaalsContact O-CB 3.3Å; V265-L269 WeakPolarHBondContact O-CB 3.3Å; V265-L269 WeakPolarHBondContact O-CG 3.26Å; V265-L269 PolarHBondContact O-N 3.08Å; F266-L269 CarbonylContact O-C 3.6Å; F266-L269 PolarHBondContact O-N 3.18Å; N267-L269 VanDerWaalsContact C-N 3.32Å; N267-L269 PolarHBondContact O-N 2.94Å; L269-T272 WeakPolarHBondContact CA-OG1 3.4Å; L269-T272 PolarHBondContact O-OG1 3.23Å; L269-G273 PolarHBondContact O-N 3.29Å; L269-Y274 HydrophobicContact CD2-CD1 4.37Å; L269-Y274 HydrophobicContact CD2-CD2 4.47Å; L269-Y274 HydrophobicContact CD2-CG 4Å; L269-Y274 VanDerWaalsContact O-CB 3.23Å; L269-Y274 WeakPolarHBondContact O-CB 3.37Å; L269-Y274 PolarHBondContact O-N 3.45Å; L269-F275 HydrophobicContact CB-CD2 4.14Å; L269-F275 HydrophobicContact CB-CE2 3.59Å; L269-F275 HydrophobicContact CB-CZ 4.43Å; L269-F275 HydrophobicContact CD1-CE2 4.43Å |
| 270 | T | 85.6 | Confident | 85.4 | Confident | 71 Ų | 71 | 95 Ų | 95 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.9 | -43.9 | 173.2 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | F266 N267 T272 G273 F275 | F266-T270 WeakPolarHBondContact O-CG2 3.23Å; F266-T270 PolarHBondContact O-N 3.27Å; F266-T270 PolarHBondContact O-OG1 3Å; N267-T270 VanDerWaalsContact CA-OG1 3.26Å; N267-T270 WeakPolarHBondContact CA-OG1 3.31Å; N267-T270 PolarHBondContact O-N 2.88Å; N267-T270 PolarHBondContact O-OG1 3.39Å; T270-T272 VanDerWaalsContact C-N 3.34Å; T270-T272 PolarHBondContact O-N 3.5Å; T270-G273 PolarHBondContact O-N 3.2Å; T270-F275 HydrophobicContact CG2-CB 4.46Å; T270-F275 HydrophobicContact CG2-CD2 3.45Å; T270-F275 VanDerWaalsContact CG2-CD2 3.45Å; T270-F275 HydrophobicContact CG2-CE2 4.09Å; T270-F275 HydrophobicContact CG2-CG 4.32Å |
| 271 | E | 84.9 | Confident | 85 | Confident | 157 Ų | 157 | 94.2 Ų | 94.2 | 73% | 0.734 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.2 | -35.8 | 179.3 | -74.9 | 174.6 | -164.8 | 0 | 0 | 112.3 | N267 G273 | N267-E271 WeakPolarHBondContact O-CB 3.38Å; N267-E271 VanDerWaalsContact O-CG 3.31Å; N267-E271 WeakPolarHBondContact O-CG 3.39Å; N267-E271 PolarHBondContact O-N 3.04Å; E271-G273 PolarHBondContact O-N 2.81Å |
| 272 | T | 86.7 | Confident | 84.7 | Confident | 109 Ų | 109 | 96.6 Ų | 96.6 | 67% | 0.669 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -1.9 | 174.3 | 52 | 0 | 0 | 0 | 0 | 113.6 | N268 L269 T270 | N268-T272 WeakPolarHBondContact O-CB 3.39Å; N268-T272 VanDerWaalsContact O-CG2 3.25Å; N268-T272 WeakPolarHBondContact O-CG2 3.26Å; N268-T272 PolarHBondContact O-N 3.34Å; N268-T272 PolarHBondContact O-OG1 2.86Å; L269-T272 WeakPolarHBondContact CA-OG1 3.4Å; L269-T272 PolarHBondContact O-OG1 3.23Å; T270-T272 VanDerWaalsContact C-N 3.34Å; T270-T272 PolarHBondContact O-N 3.5Å |
| 273 | G | 77.4 | Confident | 84.7 | Confident | 44 Ų | 44 | 94 Ų | 94 | 45% | 0.454 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 20.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L269 T270 E271 F275 | L269-G273 PolarHBondContact O-N 3.29Å; T270-G273 PolarHBondContact O-N 3.2Å; E271-G273 PolarHBondContact O-N 2.81Å; G273-F275 VanDerWaalsContact C-N 3.3Å |
| 274 | Y | 81 | Confident | 84.4 | Confident | 154 Ų | 154 | 96.2 Ų | 96.2 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | trans | -66.7 | -35.7 | 176 | -172.6 | -94.4 | 0 | 0 | 0 | 111.9 | L269 Y276 | L269-Y274 HydrophobicContact CD2-CD1 4.37Å; L269-Y274 HydrophobicContact CD2-CD2 4.47Å; L269-Y274 HydrophobicContact CD2-CG 4Å; L269-Y274 VanDerWaalsContact O-CB 3.23Å; L269-Y274 WeakPolarHBondContact O-CB 3.37Å; L269-Y274 PolarHBondContact O-N 3.45Å; Y274-Y276 WeakPolarHBondContact O-CD1 3.47Å; Y274-Y276 WeakPolarHBondContact O-CE1 3.47Å | ||
| 275 | F | 78.9 | Confident | 84.2 | Confident | 101 Ų | 101 | 97.6 Ų | 97.6 | 44% | 0.443 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -91.8 | 103.5 | 170.6 | -57.9 | -72.6 | 0 | 0 | 0 | 108.9 | F266 L269 T270 G273 | F266-F275 AromaticContact CD1-CE2 3.77Å; F266-F275 HydrophobicContact CD1-CE2 3.77Å; F266-F275 AromaticContact CD1-CZ 3.62Å; F266-F275 HydrophobicContact CD1-CZ 3.62Å; F266-F275 HydrophobicContact CE1-CE2 4.34Å; F266-F275 AromaticContact CE1-CZ 3.71Å; F266-F275 HydrophobicContact CE1-CZ 3.71Å; L269-F275 HydrophobicContact CB-CD2 4.14Å; L269-F275 HydrophobicContact CB-CE2 3.59Å; L269-F275 HydrophobicContact CB-CZ 4.43Å; L269-F275 HydrophobicContact CD1-CE2 4.43Å; T270-F275 HydrophobicContact CG2-CB 4.46Å; T270-F275 HydrophobicContact CG2-CD2 3.45Å; T270-F275 VanDerWaalsContact CG2-CD2 3.45Å; T270-F275 HydrophobicContact CG2-CE2 4.09Å; T270-F275 HydrophobicContact CG2-CG 4.32Å; G273-F275 VanDerWaalsContact C-N 3.3Å |
| 276 | Y | 75.4 | Confident | 84 | Confident | 127 Ų | 127 | 96 Ų | 96 | 50% | 0.498 | 49% | 0.494 | S | S | . | . | trans | -108.5 | 153.1 | 171.7 | 44.7 | -101.7 | 0 | 0 | 0 | 109.3 | Y274 P278 R281 | Y274-Y276 WeakPolarHBondContact O-CD1 3.47Å; Y274-Y276 WeakPolarHBondContact O-CE1 3.47Å; Y276-P278 WeakPolarHBondContact O-CD 3.25Å; Y276-R281 VanDerWaalsContact CE1-NH1 3.34Å; Y276-R281 PolarHBondContact OH-NH1 3.24Å | ||
| 277 | D | 79.6 | Confident | 83.9 | Confident | 74 Ų | 74 | 96 Ų | 96 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | trans | -73.8 | 121.7 | 168.2 | -170.2 | -23.4 | 0 | 0 | 0 | 108.4 | V279 E280 R281 | D277-V279 PolarHBondContact O-N 3.37Å; D277-V279 VanDerWaalsContact O-N 3.15Å; D277-V279 WeakPolarHBondContact OD1-CB 3.26Å; D277-V279 PolarHBondContact OD1-N 2.89Å; D277-E280 HydrophobicContact CB-CB 3.97Å; D277-E280 HydrophobicContact CB-CG 3.83Å; D277-E280 PolarHBondContact O-N 2.9Å; D277-R281 PolarHBondContact O-N 3.5Å | ||
| 278 | P | 81.2 | Confident | 83.9 | Confident | 85 Ų | 85 | 96.3 Ų | 96.3 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -55.6 | -28 | 175.5 | 23.2 | -34.6 | 0 | 0 | 0 | 113 | Y276 D282 | Y276-P278 WeakPolarHBondContact O-CD 3.25Å; P278-D282 VanDerWaalsContact O-CB 3.26Å; P278-D282 WeakPolarHBondContact O-CB 3.47Å; P278-D282 PolarHBondContact O-N 3.23Å |
| 279 | V | 84.4 | Confident | 84 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -75.9 | -48 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 111 | D277 R281 D282 I283 | D277-V279 PolarHBondContact O-N 3.37Å; D277-V279 VanDerWaalsContact O-N 3.15Å; D277-V279 WeakPolarHBondContact OD1-CB 3.26Å; D277-V279 PolarHBondContact OD1-N 2.89Å; V279-R281 VanDerWaalsContact C-N 3.27Å; V279-R281 PolarHBondContact O-N 2.84Å; V279-D282 PolarHBondContact O-N 2.72Å; V279-I283 HydrophobicContact CG1-CD1 3.92Å; V279-I283 VanDerWaalsContact O-CG1 3.25Å; V279-I283 WeakPolarHBondContact O-CG1 3.28Å; V279-I283 PolarHBondContact O-N 3.25Å |
| 280 | E | 81.5 | Confident | 84.2 | Confident | 121 Ų | 121 | 99.1 Ų | 99.1 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.7 | -43.8 | 177 | -69.5 | 179.8 | 161 | 0 | 0 | 110.5 | D277 I283 E284 | D277-E280 HydrophobicContact CB-CB 3.97Å; D277-E280 HydrophobicContact CB-CG 3.83Å; D277-E280 PolarHBondContact O-N 2.9Å; E280-I283 CarbonylContact O-C 3.59Å; E280-I283 WeakPolarHBondContact O-CA 3.5Å; E280-I283 WeakPolarHBondContact O-CB 3.4Å; E280-I283 PolarHBondContact O-N 2.81Å; E280-E284 WeakPolarHBondContact O-CB 3.36Å; E280-E284 WeakPolarHBondContact O-CG 3.49Å; E280-E284 PolarHBondContact O-N 3.37Å |
| 281 | R | 80.1 | Confident | 84.6 | Confident | 75 Ų | 75 | 98.7 Ų | 98.7 | 28% | 0.283 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71 | -34.3 | 178.9 | -170.7 | -177.1 | 51.6 | 175.1 | -6.1 | 113.7 | Y276 D277 V279 I283 E284 E285 | Y276-R281 VanDerWaalsContact CE1-NH1 3.34Å; Y276-R281 PolarHBondContact OH-NH1 3.24Å; D277-R281 PolarHBondContact O-N 3.5Å; V279-R281 VanDerWaalsContact C-N 3.27Å; V279-R281 PolarHBondContact O-N 2.84Å; R281-I283 PolarHBondContact O-N 2.9Å; R281-E284 PolarHBondContact O-N 3.36Å; R281-E285 HydrophobicContact CG-CG 3.9Å; R281-E285 VanDerWaalsContact O-CB 3.28Å; R281-E285 WeakPolarHBondContact O-CB 3.38Å; R281-E285 PolarHBondContact O-N 3.23Å |
| 282 | D | 85.5 | Confident | 84.9 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67 | -31.8 | 172.1 | -167 | 39.7 | 0 | 0 | 0 | 110.9 | P278 V279 G286 F287 | P278-D282 VanDerWaalsContact O-CB 3.26Å; P278-D282 WeakPolarHBondContact O-CB 3.47Å; P278-D282 PolarHBondContact O-N 3.23Å; V279-D282 PolarHBondContact O-N 2.72Å; D282-G286 CarbonylContact O-C 3.6Å; D282-G286 WeakPolarHBondContact O-CA 3.13Å; D282-G286 PolarHBondContact O-N 3.42Å; D282-F287 PolarHBondContact O-N 2.98Å |
| 283 | I | 87.1 | Confident | 85.2 | Confident | 77 Ų | 77 | 93.5 Ų | 93.5 | 40% | 0.395 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -68.4 | -47.7 | 170.9 | -66.6 | 164.9 | 0 | 0 | 0 | 110.5 | V279 E280 R281 F287 L288 | V279-I283 HydrophobicContact CG1-CD1 3.92Å; V279-I283 VanDerWaalsContact O-CG1 3.25Å; V279-I283 WeakPolarHBondContact O-CG1 3.28Å; V279-I283 PolarHBondContact O-N 3.25Å; E280-I283 CarbonylContact O-C 3.59Å; E280-I283 WeakPolarHBondContact O-CA 3.5Å; E280-I283 WeakPolarHBondContact O-CB 3.4Å; E280-I283 PolarHBondContact O-N 2.81Å; R281-I283 PolarHBondContact O-N 2.9Å; I283-F287 HydrophobicContact CB-CB 4.47Å; I283-F287 HydrophobicContact CG2-CB 4.34Å; I283-F287 HydrophobicContact CG2-CD1 4.18Å; I283-F287 CarbonylContact O-C 3.56Å; I283-F287 PolarHBondContact O-N 2.84Å; I283-L288 HydrophobicContact CG2-CG 4.29Å; I283-L288 WeakPolarHBondContact O-CB 3.25Å; I283-L288 WeakPolarHBondContact O-CG 3.49Å; I283-L288 PolarHBondContact O-N 3.46Å |
| 284 | E | 84 | Confident | 85.9 | Confident | 127 Ų | 127 | 95.1 Ų | 95.1 | 59% | 0.593 | 47% | 0.471 | S | S | * | . | I | π-helix | trans | -68.6 | -42.7 | -178.2 | -73.3 | 179.6 | 168.5 | 0 | 0 | 113.5 | E280 R281 P289 | E280-E284 WeakPolarHBondContact O-CB 3.36Å; E280-E284 WeakPolarHBondContact O-CG 3.49Å; E280-E284 PolarHBondContact O-N 3.37Å; R281-E284 PolarHBondContact O-N 3.36Å; E284-P289 VanDerWaalsContact O-CD 3.3Å; E284-P289 WeakPolarHBondContact O-CD 3.35Å |
| 285 | E | 84.6 | Confident | 86.5 | Confident | 140 Ų | 140 | 90.4 Ų | 90.4 | 65% | 0.654 | 46% | 0.459 | S | S | * | . | I | π-helix | trans | -91.9 | -27.7 | -176.8 | -64.9 | -177.2 | 176.4 | 0 | 0 | 113.2 | R281 P289 | R281-E285 HydrophobicContact CG-CG 3.9Å; R281-E285 VanDerWaalsContact O-CB 3.28Å; R281-E285 WeakPolarHBondContact O-CB 3.38Å; R281-E285 PolarHBondContact O-N 3.23Å; E285-P289 WeakPolarHBondContact O-CG 3.22Å |
| 286 | G | 85.6 | Confident | 87.2 | Confident | 32 Ų | 32 | 89.6 Ų | 89.6 | 33% | 0.33 | 46% | 0.459 | S | S | . | . | I | π-helix | trans | -107 | -61.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D282 W290 | D282-G286 CarbonylContact O-C 3.6Å; D282-G286 WeakPolarHBondContact O-CA 3.13Å; D282-G286 PolarHBondContact O-N 3.42Å; G286-W290 WeakPolarHBondContact O-CB 3.3Å; G286-W290 PolarHBondContact O-N 3.21Å |
| 287 | F | 87.1 | Confident | 88 | Confident | 97 Ų | 97 | 89.3 Ų | 89.3 | 43% | 0.425 | 46% | 0.463 | S | S | . | . | I | π-helix | trans | -71.8 | -47.5 | -172.8 | 179.7 | -102.7 | 0 | 0 | 0 | 113.4 | D282 I283 W290 L291 | D282-F287 PolarHBondContact O-N 2.98Å; I283-F287 HydrophobicContact CB-CB 4.47Å; I283-F287 HydrophobicContact CG2-CB 4.34Å; I283-F287 HydrophobicContact CG2-CD1 4.18Å; I283-F287 CarbonylContact O-C 3.56Å; I283-F287 PolarHBondContact O-N 2.84Å; F287-W290 AromaticContact CD2-CE3 3.92Å; F287-W290 HydrophobicContact CD2-CE3 3.92Å; F287-W290 HydrophobicContact CD2-CZ3 4.15Å; F287-W290 AromaticContact CE2-CE3 3.92Å; F287-W290 HydrophobicContact CE2-CE3 3.92Å; F287-W290 AromaticContact CE2-CZ3 3.68Å; F287-W290 HydrophobicContact CE2-CZ3 3.68Å; F287-W290 HydrophobicContact CZ-CZ3 4.49Å; F287-W290 PolarHBondContact O-N 2.92Å; F287-L291 HydrophobicContact CE1-CB 4.34Å; F287-L291 HydrophobicContact CE1-CD2 3.82Å; F287-L291 HydrophobicContact CZ-CB 4.44Å; F287-L291 HydrophobicContact CZ-CD1 4.43Å; F287-L291 HydrophobicContact CZ-CD2 4.18Å; F287-L291 VanDerWaalsContact O-CB 3.22Å; F287-L291 WeakPolarHBondContact O-CB 3.17Å; F287-L291 PolarHBondContact O-N 3.47Å |
| 288 | L | 90.1 | Very high | 88.6 | Confident | 81 Ų | 81 | 91.4 Ų | 91.4 | 42% | 0.424 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | -178.9 | -72.1 | -177.7 | 0 | 0 | 0 | 111.1 | I283 W290 L291 M292 | I283-L288 HydrophobicContact CG2-CG 4.29Å; I283-L288 WeakPolarHBondContact O-CB 3.25Å; I283-L288 WeakPolarHBondContact O-CG 3.49Å; I283-L288 PolarHBondContact O-N 3.46Å; L288-W290 PolarHBondContact O-N 3.06Å; L288-L291 PolarHBondContact O-N 3.04Å; L288-M292 WeakPolarHBondContact O-CB 3.36Å; L288-M292 WeakPolarHBondContact O-CG 3.43Å; L288-M292 PolarHBondContact O-N 2.75Å |
| 289 | P | 94.5 | Very high | 89.1 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 44% | 0.442 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 176.2 | -27.2 | 39.7 | 0 | 0 | 0 | 113 | E284 E285 A293 | E284-P289 VanDerWaalsContact O-CD 3.3Å; E284-P289 WeakPolarHBondContact O-CD 3.35Å; E285-P289 WeakPolarHBondContact O-CG 3.22Å; P289-A293 WeakPolarHBondContact O-CB 3.36Å; P289-A293 PolarHBondContact O-N 3.16Å |
| 290 | W | 93 | Very high | 89.5 | Confident | 136 Ų | 136 | 93.5 Ų | 93.5 | 52% | 0.515 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 174.2 | 170.3 | 72.1 | 0 | 0 | 0 | 111.7 | G286 F287 L288 M292 A293 E294 | G286-W290 WeakPolarHBondContact O-CB 3.3Å; G286-W290 PolarHBondContact O-N 3.21Å; F287-W290 AromaticContact CD2-CE3 3.92Å; F287-W290 HydrophobicContact CD2-CE3 3.92Å; F287-W290 HydrophobicContact CD2-CZ3 4.15Å; F287-W290 AromaticContact CE2-CE3 3.92Å; F287-W290 HydrophobicContact CE2-CE3 3.92Å; F287-W290 AromaticContact CE2-CZ3 3.68Å; F287-W290 HydrophobicContact CE2-CZ3 3.68Å; F287-W290 HydrophobicContact CZ-CZ3 4.49Å; F287-W290 PolarHBondContact O-N 2.92Å; L288-W290 PolarHBondContact O-N 3.06Å; W290-M292 VanDerWaalsContact C-N 3.33Å; W290-M292 PolarHBondContact O-N 3.3Å; W290-A293 PolarHBondContact O-N 3.49Å; W290-E294 HydrophobicContact CZ2-CB 4.42Å; W290-E294 HydrophobicContact CZ2-CG 4.26Å; W290-E294 WeakPolarHBondContact O-CB 3.32Å; W290-E294 PolarHBondContact O-N 3.27Å |
| 291 | L | 93.7 | Very high | 90 | Very high | 62 Ų | 62 | 92.8 Ų | 92.8 | 33% | 0.325 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 178.3 | 179.9 | 68.1 | 0 | 0 | 0 | 110.4 | F287 L288 A293 E294 T295 | F287-L291 HydrophobicContact CE1-CB 4.34Å; F287-L291 HydrophobicContact CE1-CD2 3.82Å; F287-L291 HydrophobicContact CZ-CB 4.44Å; F287-L291 HydrophobicContact CZ-CD1 4.43Å; F287-L291 HydrophobicContact CZ-CD2 4.18Å; F287-L291 VanDerWaalsContact O-CB 3.22Å; F287-L291 WeakPolarHBondContact O-CB 3.17Å; F287-L291 PolarHBondContact O-N 3.47Å; L288-L291 PolarHBondContact O-N 3.04Å; L291-A293 VanDerWaalsContact C-N 3.34Å; L291-A293 PolarHBondContact O-N 3.2Å; L291-E294 PolarHBondContact O-N 2.78Å; L291-T295 HydrophobicContact CD1-CG2 4.36Å; L291-T295 HydrophobicContact CG-CG2 4.47Å; L291-T295 WeakPolarHBondContact O-CB 3.37Å; L291-T295 VanDerWaalsContact O-CG2 3.29Å; L291-T295 WeakPolarHBondContact O-CG2 3.32Å; L291-T295 PolarHBondContact O-N 3Å; L291-T295 PolarHBondContact O-OG1 3.38Å |
| 292 | M | 92.3 | Very high | 90.5 | Very high | 109 Ų | 109 | 97 Ų | 97 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 176.4 | -70.9 | -59 | -59.8 | 0 | 0 | 111.1 | L288 W290 T295 D296 | L288-M292 WeakPolarHBondContact O-CB 3.36Å; L288-M292 WeakPolarHBondContact O-CG 3.43Å; L288-M292 PolarHBondContact O-N 2.75Å; W290-M292 VanDerWaalsContact C-N 3.33Å; W290-M292 PolarHBondContact O-N 3.3Å; M292-T295 VanDerWaalsContact CA-OG1 3.32Å; M292-T295 WeakPolarHBondContact CA-OG1 3.39Å; M292-T295 PolarHBondContact O-N 3.26Å; M292-T295 PolarHBondContact O-OG1 3.15Å; M292-D296 WeakPolarHBondContact O-CB 3.45Å; M292-D296 VanDerWaalsContact O-CG 3.28Å; M292-D296 PolarHBondContact O-N 2.89Å |
| 293 | A | 92.4 | Very high | 90.8 | Very high | 48 Ų | 48 | 95.2 Ų | 95.2 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P289 W290 L291 D296 E297 | P289-A293 WeakPolarHBondContact O-CB 3.36Å; P289-A293 PolarHBondContact O-N 3.16Å; W290-A293 PolarHBondContact O-N 3.49Å; L291-A293 VanDerWaalsContact C-N 3.34Å; L291-A293 PolarHBondContact O-N 3.2Å; A293-D296 PolarHBondContact O-N 2.91Å; A293-E297 PolarHBondContact O-N 2.87Å |
| 294 | E | 92.5 | Very high | 90.9 | Very high | 78 Ų | 78 | 96.5 Ų | 96.5 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 177.7 | -166.6 | 77.2 | -159 | 0 | 0 | 111.3 | W290 L291 D296 E297 E298 | W290-E294 HydrophobicContact CZ2-CB 4.42Å; W290-E294 HydrophobicContact CZ2-CG 4.26Å; W290-E294 WeakPolarHBondContact O-CB 3.32Å; W290-E294 PolarHBondContact O-N 3.27Å; L291-E294 PolarHBondContact O-N 2.78Å; E294-D296 VanDerWaalsContact C-N 3.34Å; E294-E297 PolarHBondContact O-N 2.98Å; E294-E298 PolarHBondContact O-N 3.46Å |
| 295 | T | 93.5 | Very high | 91.1 | Very high | 55 Ų | 55 | 93.2 Ų | 93.2 | 34% | 0.337 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 174.5 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | L291 M292 L299 | L291-T295 HydrophobicContact CD1-CG2 4.36Å; L291-T295 HydrophobicContact CG-CG2 4.47Å; L291-T295 WeakPolarHBondContact O-CB 3.37Å; L291-T295 VanDerWaalsContact O-CG2 3.29Å; L291-T295 WeakPolarHBondContact O-CG2 3.32Å; L291-T295 PolarHBondContact O-N 3Å; L291-T295 PolarHBondContact O-OG1 3.38Å; M292-T295 VanDerWaalsContact CA-OG1 3.32Å; M292-T295 WeakPolarHBondContact CA-OG1 3.39Å; M292-T295 PolarHBondContact O-N 3.26Å; M292-T295 PolarHBondContact O-OG1 3.15Å; T295-L299 VanDerWaalsContact O-CB 3.25Å; T295-L299 WeakPolarHBondContact O-CB 3.29Å; T295-L299 VanDerWaalsContact O-CG 3.25Å; T295-L299 WeakPolarHBondContact O-CG 3.45Å; T295-L299 PolarHBondContact O-N 3.33Å |
| 296 | D | 92.9 | Very high | 91.4 | Very high | 84 Ų | 84 | 88.6 Ų | 88.6 | 45% | 0.449 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 174.4 | -79.2 | -18.7 | 0 | 0 | 0 | 110.3 | M292 A293 E294 L299 E300 | M292-D296 WeakPolarHBondContact O-CB 3.45Å; M292-D296 VanDerWaalsContact O-CG 3.28Å; M292-D296 PolarHBondContact O-N 2.89Å; A293-D296 PolarHBondContact O-N 2.91Å; E294-D296 VanDerWaalsContact C-N 3.34Å; D296-L299 PolarHBondContact O-N 2.79Å; D296-E300 WeakPolarHBondContact O-CB 3.25Å; D296-E300 WeakPolarHBondContact O-CG 3.25Å; D296-E300 PolarHBondContact O-N 3.22Å |
| 297 | E | 93.2 | Very high | 91.6 | Very high | 122 Ų | 122 | 92.6 Ų | 92.6 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62 | -45 | 175.4 | -75.8 | -173.4 | -170 | 0 | 0 | 112.6 | A293 E294 E300 L301 | A293-E297 PolarHBondContact O-N 2.87Å; E294-E297 PolarHBondContact O-N 2.98Å; E297-E300 PolarHBondContact O-N 3.22Å; E297-L301 WeakPolarHBondContact O-CB 3.29Å; E297-L301 PolarHBondContact O-N 2.76Å |
| 298 | E | 91.3 | Very high | 91.8 | Very high | 118 Ų | 118 | 93.1 Ų | 93.1 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.5 | -37.3 | 176 | -81.2 | -71.7 | 169 | 0 | 0 | 112.1 | E294 L301 W302 | E294-E298 PolarHBondContact O-N 3.46Å; E298-L301 PolarHBondContact O-N 2.83Å; E298-W302 VanDerWaalsContact O-CB 3.29Å; E298-W302 WeakPolarHBondContact O-CB 3.44Å; E298-W302 PolarHBondContact O-N 3.32Å |
| 299 | L | 92.1 | Very high | 91.9 | Very high | 90 Ų | 90 | 93.9 Ų | 93.9 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 173.7 | -80.9 | 168.1 | 0 | 0 | 0 | 111.7 | T295 D296 W302 N303 | T295-L299 VanDerWaalsContact O-CB 3.25Å; T295-L299 WeakPolarHBondContact O-CB 3.29Å; T295-L299 VanDerWaalsContact O-CG 3.25Å; T295-L299 WeakPolarHBondContact O-CG 3.45Å; T295-L299 PolarHBondContact O-N 3.33Å; D296-L299 PolarHBondContact O-N 2.79Å; L299-W302 PolarHBondContact O-N 2.95Å; L299-N303 VanDerWaalsContact O-CB 3.24Å; L299-N303 WeakPolarHBondContact O-CB 3.24Å; L299-N303 PolarHBondContact O-N 3.34Å; L299-N303 PolarHBondContact O-ND2 2.87Å |
| 300 | E | 92.6 | Very high | 91.6 | Very high | 127 Ų | 127 | 95.8 Ų | 95.8 | 59% | 0.593 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.6 | -47.8 | 173.9 | -78.4 | -174.9 | 172.4 | 0 | 0 | 110.8 | D296 E297 W302 N303 D304 | D296-E300 WeakPolarHBondContact O-CB 3.25Å; D296-E300 WeakPolarHBondContact O-CG 3.25Å; D296-E300 PolarHBondContact O-N 3.22Å; E297-E300 PolarHBondContact O-N 3.22Å; E300-W302 VanDerWaalsContact C-N 3.34Å; E300-W302 PolarHBondContact O-N 2.76Å; E300-N303 PolarHBondContact O-N 2.83Å; E300-D304 WeakPolarHBondContact O-CB 3.43Å; E300-D304 PolarHBondContact O-N 3.45Å |
| 301 | L | 91 | Very high | 91.5 | Very high | 106 Ų | 106 | 90 Ų | 90 | 56% | 0.555 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.1 | -43.5 | 176.6 | -177.8 | 67.1 | 0 | 0 | 0 | 112 | E297 E298 D304 A305 | E297-L301 WeakPolarHBondContact O-CB 3.29Å; E297-L301 PolarHBondContact O-N 2.76Å; E298-L301 PolarHBondContact O-N 2.83Å; L301-D304 PolarHBondContact O-N 2.82Å; L301-A305 WeakPolarHBondContact O-CB 3.4Å; L301-A305 PolarHBondContact O-N 2.99Å |
| 302 | W | 91.6 | Very high | 91.4 | Very high | 163 Ų | 163 | 92.2 Ų | 92.2 | 62% | 0.617 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.1 | -44.8 | 177.2 | -176.5 | 83.3 | 0 | 0 | 0 | 111.6 | E298 L299 E300 D304 A305 C306 | E298-W302 VanDerWaalsContact O-CB 3.29Å; E298-W302 WeakPolarHBondContact O-CB 3.44Å; E298-W302 PolarHBondContact O-N 3.32Å; L299-W302 PolarHBondContact O-N 2.95Å; E300-W302 VanDerWaalsContact C-N 3.34Å; E300-W302 PolarHBondContact O-N 2.76Å; W302-D304 VanDerWaalsContact C-N 3.31Å; W302-D304 PolarHBondContact O-N 3.46Å; W302-A305 PolarHBondContact O-N 2.84Å; W302-C306 WeakPolarHBondContact O-CB 3.31Å; W302-C306 PolarHBondContact O-N 3.35Å |
| 303 | N | 90.8 | Very high | 91.2 | Very high | 80 Ų | 80 | 91.1 Ų | 91.1 | 43% | 0.428 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 175.6 | -77.8 | -39.3 | 0 | 0 | 0 | 111.2 | L299 E300 C306 L307 | L299-N303 VanDerWaalsContact O-CB 3.24Å; L299-N303 WeakPolarHBondContact O-CB 3.24Å; L299-N303 PolarHBondContact O-N 3.34Å; L299-N303 PolarHBondContact O-ND2 2.87Å; E300-N303 PolarHBondContact O-N 2.83Å; N303-C306 PolarHBondContact O-N 3.49Å; N303-L307 VanDerWaalsContact O-CB 3.31Å; N303-L307 WeakPolarHBondContact O-CB 3.39Å; N303-L307 PolarHBondContact O-N 3.2Å |
| 304 | D | 90.3 | Very high | 91.1 | Very high | 103 Ų | 103 | 96.3 Ų | 96.3 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 176.2 | -80.8 | -9.6 | 0 | 0 | 0 | 112 | E300 L301 W302 L307 L308 | E300-D304 WeakPolarHBondContact O-CB 3.43Å; E300-D304 PolarHBondContact O-N 3.45Å; L301-D304 PolarHBondContact O-N 2.82Å; W302-D304 VanDerWaalsContact C-N 3.31Å; W302-D304 PolarHBondContact O-N 3.46Å; D304-L307 WeakPolarHBondContact O-CB 3.47Å; D304-L307 PolarHBondContact O-N 3.31Å; D304-L308 VanDerWaalsContact O-CB 3.3Å; D304-L308 WeakPolarHBondContact O-CB 3.37Å; D304-L308 PolarHBondContact O-N 3.27Å |
| 305 | A | 88.9 | Confident | 90.9 | Very high | 59 Ų | 59 | 98.5 Ų | 98.5 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L301 W302 L308 L309 | L301-A305 WeakPolarHBondContact O-CB 3.4Å; L301-A305 PolarHBondContact O-N 2.99Å; W302-A305 PolarHBondContact O-N 2.84Å; A305-L308 PolarHBondContact O-N 2.99Å; A305-L309 WeakPolarHBondContact O-CB 3.3Å; A305-L309 PolarHBondContact O-N 2.92Å |
| 306 | C | 89.4 | Confident | 90.8 | Very high | 43 Ų | 43 | 100 Ų | 100 | 29% | 0.291 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 172.8 | -82.4 | 0 | 0 | 0 | 0 | 111.6 | W302 N303 L308 L309 D310 | W302-C306 WeakPolarHBondContact O-CB 3.31Å; W302-C306 PolarHBondContact O-N 3.35Å; N303-C306 PolarHBondContact O-N 3.49Å; C306-L308 VanDerWaalsContact C-N 3.28Å; C306-L308 PolarHBondContact O-N 2.88Å; C306-L309 PolarHBondContact O-N 3.36Å; C306-D310 WeakPolarHBondContact O-CB 3.36Å; C306-D310 PolarHBondContact O-N 2.79Å |
| 307 | L | 90.4 | Very high | 90.7 | Very high | 115 Ų | 115 | 100.3 Ų | 100.3 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.4 | -40.3 | 174.8 | -105.9 | 155.4 | 0 | 0 | 0 | 112.3 | N303 D304 G311 | N303-L307 VanDerWaalsContact O-CB 3.31Å; N303-L307 WeakPolarHBondContact O-CB 3.39Å; N303-L307 PolarHBondContact O-N 3.2Å; D304-L307 WeakPolarHBondContact O-CB 3.47Å; D304-L307 PolarHBondContact O-N 3.31Å; L307-G311 PolarHBondContact O-N 3.35Å |
| 308 | L | 91.6 | Very high | 90.5 | Very high | 108 Ų | 108 | 100.2 Ų | 100.2 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72 | -43 | 179.9 | -160.3 | 153 | 0 | 0 | 0 | 111.1 | D304 A305 C306 G311 M312 | D304-L308 VanDerWaalsContact O-CB 3.3Å; D304-L308 WeakPolarHBondContact O-CB 3.37Å; D304-L308 PolarHBondContact O-N 3.27Å; A305-L308 PolarHBondContact O-N 2.99Å; C306-L308 VanDerWaalsContact C-N 3.28Å; C306-L308 PolarHBondContact O-N 2.88Å; L308-G311 CarbonylContact O-C 3.54Å; L308-G311 WeakPolarHBondContact O-CA 3.5Å; L308-G311 PolarHBondContact O-N 3.47Å; L308-M312 HydrophobicContact CD2-CE 3.68Å; L308-M312 HydrophobicContact CD2-CG 4.25Å; L308-M312 HydrophobicContact CD2-SD 4.15Å; L308-M312 WeakPolarHBondContact O-CG 3.39Å; L308-M312 PolarHBondContact O-N 3.22Å |
| 309 | L | 90.8 | Very high | 90.3 | Very high | 97 Ų | 97 | 101 Ų | 101 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 174.3 | -177.5 | 65.4 | 0 | 0 | 0 | 111.4 | A305 C306 G311 M312 I313 | A305-L309 WeakPolarHBondContact O-CB 3.3Å; A305-L309 PolarHBondContact O-N 2.92Å; C306-L309 PolarHBondContact O-N 3.36Å; L309-G311 PolarHBondContact O-N 2.96Å; L309-M312 PolarHBondContact O-N 3.43Å; L309-M312 VanDerWaalsContact O-N 3.15Å; L309-I313 HydrophobicContact CD1-CD1 4.33Å; L309-I313 HydrophobicContact CD1-CG1 4.5Å; L309-I313 HydrophobicContact CG-CD1 3.93Å; L309-I313 HydrophobicContact CG-CG1 4.49Å; L309-I313 WeakPolarHBondContact O-CB 3.48Å; L309-I313 VanDerWaalsContact O-CG1 3.29Å; L309-I313 WeakPolarHBondContact O-CG1 3.15Å; L309-I313 PolarHBondContact O-N 3.22Å |
| 310 | D | 89.5 | Confident | 90 | Very high | 108 Ų | 108 | 102.8 Ų | 102.8 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.3 | -34.7 | 173.8 | -88.6 | 2.2 | 0 | 0 | 0 | 111.3 | C306 R314 | C306-D310 WeakPolarHBondContact O-CB 3.36Å; C306-D310 PolarHBondContact O-N 2.79Å; D310-R314 WeakPolarHBondContact O-CB 3.29Å; D310-R314 PolarHBondContact O-N 2.9Å |
| 311 | G | 90.5 | Very high | 89.6 | Confident | 16 Ų | 16 | 101.7 Ų | 101.7 | 17% | 0.165 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -58.8 | -51.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L307 L308 L309 R314 E315 | L307-G311 PolarHBondContact O-N 3.35Å; L308-G311 CarbonylContact O-C 3.54Å; L308-G311 WeakPolarHBondContact O-CA 3.5Å; L308-G311 PolarHBondContact O-N 3.47Å; L309-G311 PolarHBondContact O-N 2.96Å; G311-R314 PolarHBondContact O-N 2.82Å; G311-E315 PolarHBondContact O-N 2.9Å |
| 312 | M | 90.7 | Very high | 89.2 | Confident | 107 Ų | 107 | 101.7 Ų | 101.7 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 178.1 | -71.1 | -173.4 | 167.2 | 0 | 0 | 112.1 | L308 L309 R314 E315 V316 | L308-M312 HydrophobicContact CD2-CE 3.68Å; L308-M312 HydrophobicContact CD2-CG 4.25Å; L308-M312 HydrophobicContact CD2-SD 4.15Å; L308-M312 WeakPolarHBondContact O-CG 3.39Å; L308-M312 PolarHBondContact O-N 3.22Å; L309-M312 PolarHBondContact O-N 3.43Å; L309-M312 VanDerWaalsContact O-N 3.15Å; M312-R314 VanDerWaalsContact C-N 3.29Å; M312-R314 PolarHBondContact O-N 2.88Å; M312-E315 PolarHBondContact O-N 2.84Å; M312-V316 WeakPolarHBondContact O-CG2 3.35Å; M312-V316 PolarHBondContact O-N 2.98Å |
| 313 | I | 89.7 | Confident | 88.8 | Confident | 86 Ų | 86 | 99 Ų | 99 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 176.2 | -68.8 | 169.1 | 0 | 0 | 0 | 109.3 | L309 E315 V316 V317 | L309-I313 HydrophobicContact CD1-CD1 4.33Å; L309-I313 HydrophobicContact CD1-CG1 4.5Å; L309-I313 HydrophobicContact CG-CD1 3.93Å; L309-I313 HydrophobicContact CG-CG1 4.49Å; L309-I313 WeakPolarHBondContact O-CB 3.48Å; L309-I313 VanDerWaalsContact O-CG1 3.29Å; L309-I313 WeakPolarHBondContact O-CG1 3.15Å; L309-I313 PolarHBondContact O-N 3.22Å; I313-E315 PolarHBondContact O-N 3.43Å; I313-V316 PolarHBondContact O-N 3.26Å; I313-V317 HydrophobicContact CG2-CG2 4.2Å; I313-V317 WeakPolarHBondContact O-CB 3.17Å; I313-V317 WeakPolarHBondContact O-CG2 3.32Å; I313-V317 PolarHBondContact O-N 3.26Å |
| 314 | R | 89.6 | Confident | 88.3 | Confident | 157 Ų | 157 | 101.4 Ų | 101.4 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | 177 | 178.5 | 174.4 | 55.5 | -173.6 | -7.4 | 112.4 | D310 G311 M312 Q318 | D310-R314 WeakPolarHBondContact O-CB 3.29Å; D310-R314 PolarHBondContact O-N 2.9Å; G311-R314 PolarHBondContact O-N 2.82Å; M312-R314 VanDerWaalsContact C-N 3.29Å; M312-R314 PolarHBondContact O-N 2.88Å; R314-Q318 WeakPolarHBondContact O-CB 3.1Å; R314-Q318 VanDerWaalsContact O-CG 3.23Å; R314-Q318 WeakPolarHBondContact O-CG 3.32Å; R314-Q318 PolarHBondContact O-N 2.87Å |
| 315 | E | 88.9 | Confident | 87.8 | Confident | 125 Ų | 125 | 102.7 Ų | 102.7 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.5 | -50.4 | 174.4 | -80.8 | -176.5 | 167.5 | 0 | 0 | 111.7 | G311 M312 I313 V317 Q318 E319 | G311-E315 PolarHBondContact O-N 2.9Å; M312-E315 PolarHBondContact O-N 2.84Å; I313-E315 PolarHBondContact O-N 3.43Å; E315-V317 VanDerWaalsContact C-N 3.29Å; E315-V317 PolarHBondContact O-N 3.41Å; E315-Q318 CarbonylContact O-C 3.58Å; E315-Q318 PolarHBondContact O-N 2.83Å; E315-E319 PolarHBondContact O-N 3.44Å |
| 316 | V | 91.2 | Very high | 87.3 | Confident | 87 Ų | 87 | 105 Ų | 105 | 53% | 0.527 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 178.7 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | M312 I313 R320 | M312-V316 WeakPolarHBondContact O-CG2 3.35Å; M312-V316 PolarHBondContact O-N 2.98Å; I313-V316 PolarHBondContact O-N 3.26Å; V316-R320 VanDerWaalsContact O-CB 3.32Å; V316-R320 WeakPolarHBondContact O-CB 3.23Å; V316-R320 PolarHBondContact O-N 3.36Å |
| 317 | V | 89.9 | Confident | 86.7 | Confident | 90 Ų | 90 | 108 Ų | 108 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 175.6 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | I313 E315 H321 | I313-V317 HydrophobicContact CG2-CG2 4.2Å; I313-V317 WeakPolarHBondContact O-CB 3.17Å; I313-V317 WeakPolarHBondContact O-CG2 3.32Å; I313-V317 PolarHBondContact O-N 3.26Å; E315-V317 VanDerWaalsContact C-N 3.29Å; E315-V317 PolarHBondContact O-N 3.41Å; V317-H321 WeakPolarHBondContact O-CB 3.38Å; V317-H321 PolarHBondContact O-N 3.41Å |
| 318 | Q | 88.6 | Confident | 85.9 | Confident | 120 Ų | 120 | 109 Ų | 109 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.5 | -43.8 | 176.4 | -76.7 | 178.3 | 10 | 0 | 0 | 112.5 | R314 E315 H321 H322 | R314-Q318 WeakPolarHBondContact O-CB 3.1Å; R314-Q318 VanDerWaalsContact O-CG 3.23Å; R314-Q318 WeakPolarHBondContact O-CG 3.32Å; R314-Q318 PolarHBondContact O-N 2.87Å; E315-Q318 CarbonylContact O-C 3.58Å; E315-Q318 PolarHBondContact O-N 2.83Å; Q318-H321 PolarHBondContact O-N 3.34Å; Q318-H322 WeakPolarHBondContact O-CB 3.37Å; Q318-H322 PolarHBondContact O-N 2.89Å |
| 319 | E | 88.4 | Confident | 85.1 | Confident | 133 Ų | 133 | 109.6 Ų | 109.6 | 62% | 0.621 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -50.4 | 175.6 | -76.6 | -171.9 | 162.4 | 0 | 0 | 110.9 | E315 H321 H322 E323 | E315-E319 PolarHBondContact O-N 3.44Å; E319-H321 VanDerWaalsContact C-N 3.33Å; E319-H321 PolarHBondContact O-N 3.1Å; E319-H322 CarbonylContact O-C 3.58Å; E319-H322 WeakPolarHBondContact O-CA 3.49Å; E319-H322 WeakPolarHBondContact O-CB 3.47Å; E319-H322 PolarHBondContact O-N 2.86Å; E319-E323 WeakPolarHBondContact O-CG 3.46Å; E319-E323 PolarHBondContact O-N 3.37Å |
| 320 | R | 85.7 | Confident | 84.3 | Confident | 129 Ų | 129 | 110.4 Ų | 110.4 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 176.4 | -91.3 | -71.9 | -177.3 | 137.5 | -0.2 | 112.1 | V316 H322 E323 Y324 | V316-R320 VanDerWaalsContact O-CB 3.32Å; V316-R320 WeakPolarHBondContact O-CB 3.23Å; V316-R320 PolarHBondContact O-N 3.36Å; R320-H322 PolarHBondContact O-N 3.17Å; R320-E323 IonicContact NE-OE2 3.21Å; R320-E323 PolarHBondContact O-N 3.35Å; R320-Y324 HydrophobicContact CB-CD2 4.42Å; R320-Y324 PolarHBondContact NH1-OH 2.83Å; R320-Y324 WeakPolarHBondContact O-CB 3.4Å; R320-Y324 WeakPolarHBondContact O-CD2 3.13Å; R320-Y324 PolarHBondContact O-N 3.31Å |
| 321 | H | 83.9 | Confident | 83.4 | Confident | 104 Ų | 104 | 108 Ų | 108 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 174.6 | -176.5 | 66.2 | 0 | 0 | 0 | 111.2 | V317 Q318 E319 R325 | V317-H321 WeakPolarHBondContact O-CB 3.38Å; V317-H321 PolarHBondContact O-N 3.41Å; Q318-H321 PolarHBondContact O-N 3.34Å; E319-H321 VanDerWaalsContact C-N 3.33Å; E319-H321 PolarHBondContact O-N 3.1Å; H321-R325 PolarHBondContact NE2-NH2 2.92Å; H321-R325 WeakPolarHBondContact O-CB 3.46Å; H321-R325 PolarHBondContact O-N 3.25Å |
| 322 | H | 83.3 | Confident | 82.3 | Confident | 106 Ų | 106 | 110 Ų | 110 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.8 | -42.5 | 178.4 | -150.6 | -24.7 | 0 | 0 | 0 | 113 | Q318 E319 R320 R325 Q326 | Q318-H322 WeakPolarHBondContact O-CB 3.37Å; Q318-H322 PolarHBondContact O-N 2.89Å; E319-H322 CarbonylContact O-C 3.58Å; E319-H322 WeakPolarHBondContact O-CA 3.49Å; E319-H322 WeakPolarHBondContact O-CB 3.47Å; E319-H322 PolarHBondContact O-N 2.86Å; R320-H322 PolarHBondContact O-N 3.17Å; H322-R325 WeakPolarHBondContact O-CB 3.43Å; H322-R325 PolarHBondContact O-N 2.95Å; H322-Q326 WeakPolarHBondContact O-CG 3.32Å; H322-Q326 PolarHBondContact O-N 2.89Å |
| 323 | E | 82 | Confident | 81.2 | Confident | 107 Ų | 107 | 111.3 Ų | 111.3 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 174.1 | -73.5 | -175 | 158.3 | 0 | 0 | 111.2 | E319 R320 R325 Q326 L327 | E319-E323 WeakPolarHBondContact O-CG 3.46Å; E319-E323 PolarHBondContact O-N 3.37Å; R320-E323 IonicContact NE-OE2 3.21Å; R320-E323 PolarHBondContact O-N 3.35Å; E323-R325 VanDerWaalsContact C-N 3.31Å; E323-R325 PolarHBondContact O-N 3.48Å; E323-Q326 PolarHBondContact O-N 2.87Å; E323-Q326 VanDerWaalsContact O-N 3.14Å; E323-L327 WeakPolarHBondContact O-CB 3.48Å; E323-L327 WeakPolarHBondContact O-CG 3.38Å; E323-L327 PolarHBondContact O-N 2.89Å |
| 324 | Y | 82 | Confident | 80 | Confident | 130 Ų | 130 | 113.6 Ų | 113.6 | 51% | 0.51 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 175.7 | -82.5 | -62.5 | 0 | 0 | 0 | 111.6 | R320 Q326 L327 E328 | R320-Y324 HydrophobicContact CB-CD2 4.42Å; R320-Y324 PolarHBondContact NH1-OH 2.83Å; R320-Y324 WeakPolarHBondContact O-CB 3.4Å; R320-Y324 WeakPolarHBondContact O-CD2 3.13Å; R320-Y324 PolarHBondContact O-N 3.31Å; Y324-Q326 VanDerWaalsContact C-N 3.33Å; Y324-Q326 PolarHBondContact O-N 3.44Å; Y324-L327 PolarHBondContact O-N 3.3Å; Y324-E328 WeakPolarHBondContact O-CB 3.38Å; Y324-E328 WeakPolarHBondContact O-CG 3.48Å; Y324-E328 PolarHBondContact O-N 2.82Å |
| 325 | R | 78.9 | Confident | 78.7 | Confident | 130 Ų | 130 | 108.3 Ų | 108.3 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -39 | 173.2 | -125.6 | -170.6 | -114.7 | 161.4 | -12.6 | 112.7 | H321 H322 E323 L329 | H321-R325 PolarHBondContact NE2-NH2 2.92Å; H321-R325 WeakPolarHBondContact O-CB 3.46Å; H321-R325 PolarHBondContact O-N 3.25Å; H322-R325 WeakPolarHBondContact O-CB 3.43Å; H322-R325 PolarHBondContact O-N 2.95Å; E323-R325 VanDerWaalsContact C-N 3.31Å; E323-R325 PolarHBondContact O-N 3.48Å; R325-L329 WeakPolarHBondContact O-CB 3.11Å; R325-L329 VanDerWaalsContact O-CG 3.32Å; R325-L329 WeakPolarHBondContact O-CG 3.33Å; R325-L329 PolarHBondContact O-N 3.32Å |
| 326 | Q | 79 | Confident | 77.5 | Confident | 108 Ų | 108 | 108 Ų | 108 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.6 | -40.2 | 177.1 | -75.6 | -177 | 5 | 0 | 0 | 111.8 | H322 E323 Y324 L329 M330 | H322-Q326 WeakPolarHBondContact O-CG 3.32Å; H322-Q326 PolarHBondContact O-N 2.89Å; E323-Q326 PolarHBondContact O-N 2.87Å; E323-Q326 VanDerWaalsContact O-N 3.14Å; Y324-Q326 VanDerWaalsContact C-N 3.33Å; Y324-Q326 PolarHBondContact O-N 3.44Å; Q326-L329 PolarHBondContact O-N 3.38Å; Q326-M330 WeakPolarHBondContact O-CB 3.44Å; Q326-M330 PolarHBondContact O-N 3.15Å |
| 327 | L | 76.9 | Confident | 76.1 | Confident | 105 Ų | 105 | 110.6 Ų | 110.6 | 55% | 0.55 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 173.9 | -76 | 170 | 0 | 0 | 0 | 111.5 | E323 Y324 L329 M330 A331 | E323-L327 WeakPolarHBondContact O-CB 3.48Å; E323-L327 WeakPolarHBondContact O-CG 3.38Å; E323-L327 PolarHBondContact O-N 2.89Å; Y324-L327 PolarHBondContact O-N 3.3Å; L327-L329 VanDerWaalsContact C-N 3.35Å; L327-M330 PolarHBondContact O-N 3.35Å; L327-A331 WeakPolarHBondContact O-CA 3.45Å; L327-A331 WeakPolarHBondContact O-CB 3.48Å; L327-A331 PolarHBondContact O-N 2.86Å |
| 328 | E | 73.6 | Confident | 74.7 | Confident | 137 Ų | 137 | 113.4 Ų | 113.4 | 64% | 0.64 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.4 | -42 | 171 | -82.6 | -177.7 | 160.7 | 0 | 0 | 111.4 | Y324 A331 A332 | Y324-E328 WeakPolarHBondContact O-CB 3.38Å; Y324-E328 WeakPolarHBondContact O-CG 3.48Å; Y324-E328 PolarHBondContact O-N 2.82Å; E328-A331 PolarHBondContact O-N 2.94Å; E328-A332 VanDerWaalsContact O-CB 3.22Å; E328-A332 WeakPolarHBondContact O-CB 3.13Å; E328-A332 PolarHBondContact O-N 2.86Å |
| 329 | L | 74.5 | Confident | 73.2 | Confident | 120 Ų | 120 | 114.7 Ų | 114.7 | 63% | 0.628 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.7 | -44.9 | 174.7 | -78.2 | 169.4 | 0 | 0 | 0 | 112 | R325 Q326 L327 A332 E333 | R325-L329 WeakPolarHBondContact O-CB 3.11Å; R325-L329 VanDerWaalsContact O-CG 3.32Å; R325-L329 WeakPolarHBondContact O-CG 3.33Å; R325-L329 PolarHBondContact O-N 3.32Å; Q326-L329 PolarHBondContact O-N 3.38Å; L327-L329 VanDerWaalsContact C-N 3.35Å; L329-A332 CarbonylContact O-C 3.59Å; L329-A332 WeakPolarHBondContact O-CB 3.5Å; L329-A332 PolarHBondContact O-N 2.81Å; L329-E333 WeakPolarHBondContact O-CB 3.34Å; L329-E333 PolarHBondContact O-N 2.98Å |
| 330 | M | 73.9 | Confident | 71.7 | Confident | 113 Ų | 113 | 110.6 Ų | 110.6 | 56% | 0.557 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67 | -36.9 | 175.7 | -81.2 | -170.5 | 177.3 | 0 | 0 | 112.2 | Q326 L327 A332 E333 M334 | Q326-M330 WeakPolarHBondContact O-CB 3.44Å; Q326-M330 PolarHBondContact O-N 3.15Å; L327-M330 PolarHBondContact O-N 3.35Å; M330-A332 VanDerWaalsContact C-N 3.35Å; M330-E333 CarbonylContact O-C 3.59Å; M330-E333 PolarHBondContact O-N 2.9Å; M330-M334 WeakPolarHBondContact O-CB 3.33Å; M330-M334 WeakPolarHBondContact O-CG 3.48Å; M330-M334 PolarHBondContact O-N 3.06Å |
| 331 | A | 71.2 | Confident | 70.2 | Confident | 58 Ų | 58 | 105.9 Ų | 105.9 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L327 E328 E333 A335 | L327-A331 WeakPolarHBondContact O-CA 3.45Å; L327-A331 WeakPolarHBondContact O-CB 3.48Å; L327-A331 PolarHBondContact O-N 2.86Å; E328-A331 PolarHBondContact O-N 2.94Å; A331-E333 VanDerWaalsContact C-N 3.32Å; A331-A335 WeakPolarHBondContact O-CB 3.22Å; A331-A335 PolarHBondContact O-N 2.91Å |
| 332 | A | 66.8 | Low | 68.6 | Low | 58 Ų | 58 | 104 Ų | 104 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | E328 L329 M330 A335 L336 | E328-A332 VanDerWaalsContact O-CB 3.22Å; E328-A332 WeakPolarHBondContact O-CB 3.13Å; E328-A332 PolarHBondContact O-N 2.86Å; L329-A332 CarbonylContact O-C 3.59Å; L329-A332 WeakPolarHBondContact O-CB 3.5Å; L329-A332 PolarHBondContact O-N 2.81Å; M330-A332 VanDerWaalsContact C-N 3.35Å; A332-A335 PolarHBondContact O-N 3.36Å; A332-L336 VanDerWaalsContact O-CB 3.25Å; A332-L336 WeakPolarHBondContact O-CB 3.23Å; A332-L336 PolarHBondContact O-N 2.9Å |
| 333 | E | 66.8 | Low | 67.1 | Low | 135 Ų | 135 | 102.9 Ų | 102.9 | 63% | 0.631 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.2 | -40.5 | 178.4 | -147.9 | 174.3 | -153.6 | 0 | 0 | 111.8 | L329 M330 A331 L336 M337 | L329-E333 WeakPolarHBondContact O-CB 3.34Å; L329-E333 PolarHBondContact O-N 2.98Å; M330-E333 CarbonylContact O-C 3.59Å; M330-E333 PolarHBondContact O-N 2.9Å; A331-E333 VanDerWaalsContact C-N 3.32Å; E333-L336 CarbonylContact O-C 3.59Å; E333-L336 PolarHBondContact O-N 2.83Å; E333-M337 WeakPolarHBondContact O-CB 3.2Å; E333-M337 PolarHBondContact O-N 3.03Å |
| 334 | M | 64.9 | Low | 65.6 | Low | 134 Ų | 134 | 105.2 Ų | 105.2 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.7 | -36.4 | 172.4 | -74.9 | -175.7 | 98.2 | 0 | 0 | 111.5 | M330 M337 Q338 | M330-M334 WeakPolarHBondContact O-CB 3.33Å; M330-M334 WeakPolarHBondContact O-CG 3.48Å; M330-M334 PolarHBondContact O-N 3.06Å; M334-M337 CarbonylContact O-C 3.41Å; M334-M337 PolarHBondContact O-N 3.41Å; M334-Q338 VanDerWaalsContact O-CB 3.23Å; M334-Q338 WeakPolarHBondContact O-CB 3.25Å; M334-Q338 WeakPolarHBondContact O-CG 3.45Å; M334-Q338 PolarHBondContact O-N 3.41Å |
| 335 | A | 62.9 | Low | 63.9 | Low | 46 Ų | 46 | 104.1 Ų | 104.1 | 38% | 0.38 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.4 | -42.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A331 A332 Q338 E339 | A331-A335 WeakPolarHBondContact O-CB 3.22Å; A331-A335 PolarHBondContact O-N 2.91Å; A332-A335 PolarHBondContact O-N 3.36Å; A335-Q338 PolarHBondContact O-N 2.93Å; A335-E339 WeakPolarHBondContact O-CB 3.33Å; A335-E339 WeakPolarHBondContact O-CG 3.33Å; A335-E339 PolarHBondContact O-N 3.43Å |
| 336 | L | 62.4 | Low | 61.8 | Low | 117 Ų | 117 | 101.2 Ų | 101.2 | 61% | 0.613 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.3 | -36.6 | 175.2 | -157.9 | 157.6 | 0 | 0 | 0 | 111.6 | A332 E333 E339 A340 | A332-L336 VanDerWaalsContact O-CB 3.25Å; A332-L336 WeakPolarHBondContact O-CB 3.23Å; A332-L336 PolarHBondContact O-N 2.9Å; E333-L336 CarbonylContact O-C 3.59Å; E333-L336 PolarHBondContact O-N 2.83Å; L336-E339 PolarHBondContact O-N 3.38Å; L336-A340 VanDerWaalsContact O-CB 3.27Å; L336-A340 WeakPolarHBondContact O-CB 3.1Å; L336-A340 PolarHBondContact O-N 2.98Å |
| 337 | M | 61.6 | Low | 59.8 | Low | 143 Ų | 143 | 105 Ų | 105 | 70% | 0.704 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -76.7 | -30 | 177.5 | -159.5 | -178.4 | -105.6 | 0 | 0 | 112.2 | E333 M334 G341 | E333-M337 WeakPolarHBondContact O-CB 3.2Å; E333-M337 PolarHBondContact O-N 3.03Å; M334-M337 CarbonylContact O-C 3.41Å; M334-M337 PolarHBondContact O-N 3.41Å; M337-G341 WeakPolarHBondContact O-CA 3.47Å; M337-G341 PolarHBondContact O-N 2.86Å |
| 338 | Q | 60.8 | Low | 57.6 | Low | 149 Ų | 149 | 104.4 Ų | 104.4 | 70% | 0.696 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.9 | -36.7 | 168.4 | -86.4 | -174.8 | -34.5 | 0 | 0 | 111.3 | M334 A335 A340 G341 A342 | M334-Q338 VanDerWaalsContact O-CB 3.23Å; M334-Q338 WeakPolarHBondContact O-CB 3.25Å; M334-Q338 WeakPolarHBondContact O-CG 3.45Å; M334-Q338 PolarHBondContact O-N 3.41Å; A335-Q338 PolarHBondContact O-N 2.93Å; Q338-A340 VanDerWaalsContact C-N 3.32Å; Q338-G341 PolarHBondContact O-N 2.95Å; Q338-A342 WeakPolarHBondContact O-CB 3.27Å; Q338-A342 PolarHBondContact O-N 3.39Å |
| 339 | E | 57.9 | Low | 55.6 | Low | 147 Ų | 147 | 105.3 Ų | 105.3 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.8 | -40.3 | 169.7 | -80.4 | -178.2 | 166.9 | 0 | 0 | 110.5 | A335 L336 A343 | A335-E339 WeakPolarHBondContact O-CB 3.33Å; A335-E339 WeakPolarHBondContact O-CG 3.33Å; A335-E339 PolarHBondContact O-N 3.43Å; L336-E339 PolarHBondContact O-N 3.38Å; E339-A343 WeakPolarHBondContact O-CB 3.46Å; E339-A343 PolarHBondContact O-N 3.33Å |
| 340 | A | 57.2 | Low | 53.4 | Low | 47 Ų | 47 | 107 Ų | 107 | 39% | 0.388 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.1 | -35.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L336 Q338 A343 L344 | L336-A340 VanDerWaalsContact O-CB 3.27Å; L336-A340 WeakPolarHBondContact O-CB 3.1Å; L336-A340 PolarHBondContact O-N 2.98Å; Q338-A340 VanDerWaalsContact C-N 3.32Å; A340-A343 WeakPolarHBondContact O-CB 3.36Å; A340-A343 PolarHBondContact O-N 2.83Å; A340-L344 PolarHBondContact O-N 3.14Å |
| 341 | G | 54.4 | Low | 51.2 | Low | 30 Ų | 30 | 109.2 Ų | 109.2 | 31% | 0.309 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.9 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | M337 Q338 A343 L344 T345 | M337-G341 WeakPolarHBondContact O-CA 3.47Å; M337-G341 PolarHBondContact O-N 2.86Å; Q338-G341 PolarHBondContact O-N 2.95Å; G341-A343 PolarHBondContact O-N 2.79Å; G341-L344 PolarHBondContact O-N 3.34Å; G341-T345 PolarHBondContact O-N 3.27Å; G341-T345 PolarHBondContact O-OG1 2.94Å |
| 342 | A | 49.6 | Very low | 49.2 | Very low | 63 Ų | 63 | 114.6 Ų | 114.6 | 52% | 0.521 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.6 | -30.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q338 L344 T345 | Q338-A342 WeakPolarHBondContact O-CB 3.27Å; Q338-A342 PolarHBondContact O-N 3.39Å; A342-L344 VanDerWaalsContact C-N 3.34Å; A342-T345 CarbonylContact O-C 3.59Å |
| 343 | A | 52.2 | Low | 47.5 | Very low | 84 Ų | 84 | 119.6 Ų | 119.6 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.8 | -25.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E339 A340 G341 | E339-A343 WeakPolarHBondContact O-CB 3.46Å; E339-A343 PolarHBondContact O-N 3.33Å; A340-A343 WeakPolarHBondContact O-CB 3.36Å; A340-A343 PolarHBondContact O-N 2.83Å; G341-A343 PolarHBondContact O-N 2.79Å |
| 344 | L | 49.7 | Very low | 45.7 | Very low | 155 Ų | 155 | 117.1 Ų | 117.1 | 81% | 0.812 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -87.7 | -25.9 | 177.5 | -95.9 | 152 | 0 | 0 | 0 | 113.5 | A340 G341 A342 | A340-L344 PolarHBondContact O-N 3.14Å; G341-L344 PolarHBondContact O-N 3.34Å; A342-L344 VanDerWaalsContact C-N 3.34Å |
| 345 | T | 46.2 | Very low | 44.1 | Very low | 108 Ų | 108 | 117.4 Ų | 117.4 | 66% | 0.663 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -119.7 | 82.3 | 172.8 | 52.4 | 0 | 0 | 0 | 0 | 109 | G341 A342 Q347 | G341-T345 PolarHBondContact O-N 3.27Å; G341-T345 PolarHBondContact O-OG1 2.94Å; A342-T345 CarbonylContact O-C 3.59Å; T345-Q347 PolarHBondContact O-N 2.79Å |
| 346 | G | 34.7 | Very low | 42.5 | Very low | 69 Ų | 69 | 123.2 Ų | 123.2 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -57.5 | 104 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 347 | Q | 36.8 | Very low | 41 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | trans | -155.9 | 92.9 | 149.9 | -105.2 | 164.5 | 20.8 | 0 | 0 | 108 | T345 | T345-Q347 PolarHBondContact O-N 2.79Š| ||
| 348 | S | 30.6 | Very low | 39.6 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | trans | -67.6 | 118.3 | 162.6 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 349 | D | 32.5 | Very low | 38.2 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 83% | 0.834 | 70% | 0.701 | S | S | * | * | trans | -143.8 | 92.6 | 146.2 | -77.4 | -32.7 | 0 | 0 | 0 | 103.6 | ||||
| 350 | Q | 27.5 | Very low | 36.9 | Very low | 155 Ų | 155 | 122.7 Ų | 122.7 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | 54.8 | 125.6 | 78.3 | -63 | -169 | -0.8 | 0 | 0 | 113.5 | |||||
| 351 | Q | 29.2 | Very low | 35.5 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | trans | 90.9 | 91.1 | 164.3 | -70.4 | 162.8 | -36.9 | 0 | 0 | 115.8 | ||||
| 352 | E | 28.6 | Very low | 34.3 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | 64.9 | 105.6 | 69.9 | -63.9 | 176.9 | 170.3 | 0 | 0 | 111.3 | |||||
| 353 | L | 32.1 | Very low | 33.5 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -166.9 | 101.1 | 136.1 | -81.6 | -174.1 | 0 | 0 | 0 | 104.3 | ||||
| 354 | S | 28.1 | Very low | 32.5 | Very low | 84 Ų | 84 | 143.3 Ų | 143.3 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | 41.6 | 106.8 | 83.4 | 73.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 355 | D | 31.3 | Very low | 31.7 | Very low | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | 179.8 | 130.6 | 113.1 | -80.5 | -15.1 | 0 | 0 | 0 | 111.8 | |||||
| 356 | E | 29.9 | Very low | 31 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 59.7 | 111 | 149.8 | -60.6 | 176.8 | 163.3 | 0 | 0 | 117.7 | ||||
| 357 | L | 30.5 | Very low | 30.9 | Very low | 162 Ų | 162 | 149 Ų | 149 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | cis | 41.2 | 74.2 | 41.1 | -67.2 | -174.5 | 0 | 0 | 0 | 114.7 | ||||
| 358 | T | 32.5 | Very low | 30.6 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | -132 | 100.2 | 134.2 | 39 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 359 | E | 30.6 | Very low | 30.8 | Very low | 152 Ų | 152 | 149 Ų | 149 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | 54.4 | 104.1 | 81.1 | -73 | -93.7 | 145.6 | 0 | 0 | 112.2 | |||||
| 360 | D | 29.8 | Very low | 30.7 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 55% | 0.551 | 75% | 0.748 | S | S | * | * | 75.2 | 102.4 | 125.7 | -71.5 | 7.9 | 0 | 0 | 0 | 119.9 | K362 | D360-K362 PolarHBondContact O-N 3.44Š| |||
| 361 | R | 29.6 | Very low | 31 | Very low | 212 Ų | 212 | 146.1 Ų | 146.1 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | 46.3 | 76.9 | 111.7 | -65.5 | 174.7 | 170.1 | 148.3 | -3.9 | 114.1 | T363 | R361-T363 VanDerWaalsContact C-N 3.35Å; R361-T363 PolarHBondContact O-N 2.73Å | |||
| 362 | K | 28.6 | Very low | 31.2 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | trans | -82.3 | 93.2 | 143.5 | -73 | -171.6 | 178 | -176.7 | 0 | 108.3 | D360 E364 | D360-K362 PolarHBondContact O-N 3.44Å; K362-E364 HydrophobicContact CB-CG 4.36Å; K362-E364 PolarHBondContact O-N 3.27Å | ||
| 363 | T | 33.1 | Very low | 31.6 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -56.8 | 84.6 | 149.4 | 47.2 | 0 | 0 | 0 | 0 | 108 | R361 | R361-T363 VanDerWaalsContact C-N 3.35Å; R361-T363 PolarHBondContact O-N 2.73Å | ||
| 364 | E | 30.5 | Very low | 31.7 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | trans | -95.9 | 101.8 | 158.5 | -73.7 | -178.4 | -169.6 | 0 | 0 | 104.4 | K362 | K362-E364 HydrophobicContact CB-CG 4.36Å; K362-E364 PolarHBondContact O-N 3.27Å | ||
| 365 | N | 32.1 | Very low | 32 | Very low | 129 Ų | 129 | 150 Ų | 150 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | 120.1 | 152.2 | 76.4 | -87.4 | -26.5 | 0 | 0 | 0 | 104.8 | |||||
| 366 | I | 33 | Very low | 32 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | 79.5 | 89.7 | 161.8 | -33.2 | -177.8 | 0 | 0 | 0 | 114.8 | ||||
| 367 | I | 32.9 | Very low | 32.1 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | -159.1 | 88.6 | 106.9 | -79.7 | 145.4 | 0 | 0 | 0 | 104.6 | |||||
| 368 | E | 29.8 | Very low | 32.4 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -65.6 | 128.7 | 159.2 | -85.5 | 175.5 | 150.2 | 0 | 0 | 107.8 | S370 | E368-S370 PolarHBondContact O-N 2.79Å; E368-S370 VanDerWaalsContact O-N 3.1Å | ||
| 369 | S | 34.1 | Very low | 32.5 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -66.6 | 96.9 | 163.7 | 55 | 0 | 0 | 0 | 0 | 109 | L371 | S369-L371 PolarHBondContact O-N 2.73Š| ||
| 370 | S | 31.8 | Very low | 32.8 | Very low | 98 Ų | 98 | 149.7 Ų | 149.7 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -70.7 | 81.1 | 161.4 | -56.8 | 0 | 0 | 0 | 0 | 108.7 | E368 D372 | E368-S370 PolarHBondContact O-N 2.79Å; E368-S370 VanDerWaalsContact O-N 3.1Å; S370-D372 PolarHBondContact O-N 3.42Å | ||
| 371 | L | 34 | Very low | 32.9 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | -82.2 | 78.2 | 158.5 | -94.6 | 159.8 | 0 | 0 | 0 | 107 | S369 K373 | S369-L371 PolarHBondContact O-N 2.73Å; L371-K373 PolarHBondContact O-N 3.32Å | ||
| 372 | D | 32.6 | Very low | 32.9 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -67.4 | 105.6 | 162.5 | -69.6 | -39.7 | 0 | 0 | 0 | 107.3 | S370 | S370-D372 PolarHBondContact O-N 3.42Š| ||
| 373 | K | 36.8 | Very low | 33.1 | Very low | 201 Ų | 201 | 150.1 Ų | 150.1 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -113.5 | 111.2 | 162.2 | -123.8 | 175.1 | -176.2 | 179.6 | 0 | 107.4 | L371 | L371-K373 PolarHBondContact O-N 3.32Š| ||
| 374 | E | 33.9 | Very low | 33 | Very low | 183 Ų | 183 | 151.7 Ų | 151.7 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -59.9 | 153.8 | -172.3 | -65.2 | -163.9 | 150.8 | 0 | 0 | 113.9 | ||||
| 375 | P | 35.2 | Very low | 33.3 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -93.8 | 130.6 | 165 | 35.7 | -25.6 | 0 | 0 | 0 | 110.5 | ||||
| 376 | G | 30.7 | Very low | 33.4 | Very low | 61 Ų | 61 | 156.7 Ų | 156.7 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | trans | -157.7 | 114.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 377 | E | 32.2 | Very low | 33.8 | Very low | 181 Ų | 181 | 154.6 Ų | 154.6 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | 82 | 100.7 | 98 | -80.1 | -179.3 | 179.4 | 0 | 0 | 109.4 | |||||
| 378 | D | 36.4 | Very low | 33.9 | Very low | 146 Ų | 146 | 154.1 Ų | 154.1 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | 175.9 | 135.3 | 100.9 | -84.6 | -29.5 | 0 | 0 | 0 | 111.7 | |||||
| 379 | D | 34.3 | Very low | 34.3 | Very low | 149 Ų | 149 | 154.8 Ų | 154.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 118 | 179.4 | -59.9 | -56.8 | 0 | 0 | 0 | 110.6 | ||||
| 380 | E | 38.1 | Very low | 34.4 | Very low | 206 Ų | 206 | 156.5 Ų | 156.5 | 96% | 0.963 | 79% | 0.792 | S | S | * | * | trans | -98.3 | 77.8 | 160.6 | -72.2 | -170.4 | -178.7 | 0 | 0 | 108.9 | ||||
| 381 | E | 30.8 | Very low | 34.6 | Very low | 158 Ų | 158 | 160 Ų | 160 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -90.9 | 135.6 | 165.7 | -86.5 | -170 | 170.8 | 0 | 0 | 111 | ||||
| 382 | E | 30 | Very low | 34.9 | Very low | 159 Ų | 159 | 161.2 Ų | 161.2 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | 64.6 | 117.4 | 150.8 | -61.6 | -173.7 | 158 | 0 | 0 | 119.3 | ||||
| 383 | Q | 32.8 | Very low | 35 | Very low | 184 Ų | 184 | 157.8 Ų | 157.8 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | -174.4 | 129.6 | 98 | -94.3 | 165 | 36.9 | 0 | 0 | 111.9 | |||||
| 384 | N | 30.5 | Very low | 35 | Very low | 162 Ų | 162 | 155.8 Ų | 155.8 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | -78.8 | 113.5 | 172 | -68.9 | -60.7 | 0 | 0 | 0 | 109.5 | ||||
| 385 | E | 37.7 | Very low | 35 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -93.5 | 106.2 | 161.8 | -89.5 | -174.7 | 158.9 | 0 | 0 | 109.7 | ||||
| 386 | K | 33.5 | Very low | 35.2 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -94.2 | 103.5 | 162 | -77.4 | 179.8 | 175 | 179.1 | 0 | 107.4 | ||||
| 387 | D | 40.8 | Very low | 35.4 | Very low | 114 Ų | 114 | 157.5 Ų | 157.5 | 61% | 0.61 | 80% | 0.798 | S | S | * | * | trans | -107.4 | 90.8 | 167.4 | -110.9 | 26.2 | 0 | 0 | 0 | 108.9 | R389 | D387-R389 PolarHBondContact O-N 2.81Å; D387-R389 IonicContact OD2-CZ 3.36Å; D387-R389 IonicContact OD2-NE 2.82Å; D387-R389 PolarHBondContact OD2-NE 3.45Å; D387-R389 IonicContact OD2-NH2 3.54Å; D387-R389 PolarHBondContact OD2-NH2 2.78Å | ||
| 388 | D | 34.8 | Very low | 35.6 | Very low | 154 Ų | 154 | 158.3 Ų | 158.3 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -69.3 | 108.2 | 163.7 | -72.2 | -42.2 | 0 | 0 | 0 | 108.2 | ||||
| 389 | R | 39.1 | Very low | 35.5 | Very low | 192 Ų | 192 | 154.6 Ų | 154.6 | 73% | 0.725 | 80% | 0.798 | S | S | * | * | trans | -133.9 | 110 | 167.2 | -67.1 | -168.6 | -150.1 | -160.1 | 7 | 112.5 | D387 | D387-R389 PolarHBondContact O-N 2.81Å; D387-R389 IonicContact OD2-CZ 3.36Å; D387-R389 IonicContact OD2-NE 2.82Å; D387-R389 PolarHBondContact OD2-NE 3.45Å; D387-R389 IonicContact OD2-NH2 3.54Å; D387-R389 PolarHBondContact OD2-NH2 2.78Å | ||
| 390 | N | 35.7 | Very low | 35.6 | Very low | 137 Ų | 137 | 156.4 Ų | 156.4 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | 73.1 | 93 | 134.9 | -58.8 | -11.8 | 0 | 0 | 0 | 118.1 | E392 | N390-E392 PolarHBondContact O-N 2.75Š| ||
| 391 | D | 37.6 | Very low | 35.5 | Very low | 172 Ų | 172 | 155.9 Ų | 155.9 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | trans | -57.8 | 99.9 | 150.8 | -68 | -44.3 | 0 | 0 | 0 | 110.7 | ||||
| 392 | E | 40 | Very low | 35.9 | Very low | 179 Ų | 179 | 155.9 Ų | 155.9 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -88.9 | 99.1 | 162.5 | -71 | -169.8 | 172.3 | 0 | 0 | 109.1 | N390 E394 | N390-E392 PolarHBondContact O-N 2.75Å; E392-E394 PolarHBondContact O-N 3.35Å | ||
| 393 | G | 34.6 | Very low | 36.3 | Very low | 71 Ų | 71 | 157 Ų | 157 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -74.9 | 103.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | I395 | G393-I395 PolarHBondContact O-N 2.86Š| ||
| 394 | E | 36.5 | Very low | 36.8 | Very low | 158 Ų | 158 | 154.1 Ų | 154.1 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -68.9 | 111.7 | 167.4 | -80.1 | -171.2 | 117.3 | 0 | 0 | 110.7 | E392 Q396 | E392-E394 PolarHBondContact O-N 3.35Å; E394-Q396 PolarHBondContact OE1-NE2 3.5Å; E394-Q396 VanDerWaalsContact OE1-NE2 3.08Å | ||
| 395 | I | 34.6 | Very low | 37.2 | Very low | 166 Ų | 166 | 154.3 Ų | 154.3 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -98.9 | 92.7 | 165.3 | -59.5 | 170.8 | 0 | 0 | 0 | 106.5 | G393 | G393-I395 PolarHBondContact O-N 2.86Š| ||
| 396 | Q | 37.8 | Very low | 37.2 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -85.2 | 113.4 | 173.1 | -68.1 | -176.8 | 7.8 | 0 | 0 | 109.1 | E394 | E394-Q396 PolarHBondContact OE1-NE2 3.5Å; E394-Q396 VanDerWaalsContact OE1-NE2 3.08Å | ||
| 397 | A | 36 | Very low | 37.5 | Very low | 97 Ų | 97 | 150.5 Ų | 150.5 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | -69.5 | 128.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | G399 | A397-G399 PolarHBondContact O-N 2.72Š| ||
| 398 | E | 35.8 | Very low | 37.5 | Very low | 197 Ų | 197 | 155.8 Ų | 155.8 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -66.9 | 113.2 | 174.6 | -63.9 | -178.9 | 160.5 | 0 | 0 | 109.8 | E400 | E398-E400 PolarHBondContact O-N 2.73Š| ||
| 399 | G | 35 | Very low | 37.8 | Very low | 69 Ų | 69 | 155 Ų | 155 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -81.7 | 108.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A397 K401 | A397-G399 PolarHBondContact O-N 2.72Å; G399-K401 PolarHBondContact O-N 3.38Å | ||
| 400 | E | 34.8 | Very low | 38 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -64.2 | 117.8 | 167.5 | -129.2 | 171.6 | 175.8 | 0 | 0 | 108.8 | E398 | E398-E400 PolarHBondContact O-N 2.73Š| ||
| 401 | K | 37.3 | Very low | 38.3 | Very low | 195 Ų | 195 | 154 Ų | 154 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -88.9 | 105.8 | 178 | -72.2 | 178.7 | 178.2 | 176.5 | 0 | 108.6 | G399 E403 | G399-K401 PolarHBondContact O-N 3.38Å; K401-E403 PolarHBondContact O-N 2.81Å | ||
| 402 | D | 38.9 | Very low | 38.6 | Very low | 158 Ų | 158 | 152.5 Ų | 152.5 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -69.8 | 110.7 | 166.4 | -72.8 | -38 | 0 | 0 | 0 | 109.4 | ||||
| 403 | E | 38.5 | Very low | 38.6 | Very low | 182 Ų | 182 | 147.4 Ų | 147.4 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -72 | 134.5 | 172.1 | -76.6 | -174.1 | 161.6 | 0 | 0 | 110.8 | K401 N405 | K401-E403 PolarHBondContact O-N 2.81Å; E403-N405 PolarHBondContact O-N 3.4Å | ||
| 404 | P | 43.1 | Very low | 39.1 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -77.8 | 123.8 | 178.7 | 29.8 | -31.2 | 0 | 0 | 0 | 110.9 | S406 | P404-S406 PolarHBondContact O-N 3.47Š| ||
| 405 | N | 39.1 | Very low | 39.4 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -56.4 | 108.3 | 166.6 | -106.2 | -20.2 | 0 | 0 | 0 | 109.5 | E403 E407 | E403-N405 PolarHBondContact O-N 3.4Å; N405-E407 PolarHBondContact O-N 2.77Å | ||
| 406 | S | 38.4 | Very low | 40 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -75.3 | 106.9 | 170.7 | 67.4 | 0 | 0 | 0 | 0 | 109.2 | P404 R408 | P404-S406 PolarHBondContact O-N 3.47Å; S406-R408 PolarHBondContact O-N 2.71Å | ||
| 407 | E | 39.2 | Very low | 40.6 | Very low | 184 Ų | 184 | 150.3 Ų | 150.3 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -60.2 | 113.6 | 167.6 | -71.6 | 174.5 | 159.3 | 0 | 0 | 109.4 | N405 N409 | N405-E407 PolarHBondContact O-N 2.77Å; E407-N409 PolarHBondContact O-N 3.34Å | ||
| 408 | R | 40.4 | Very low | 41.1 | Very low | 225 Ų | 225 | 154.1 Ų | 154.1 | 85% | 0.849 | 80% | 0.804 | S | S | * | * | trans | -71 | 105.3 | 166.5 | -92.9 | 179.4 | 174 | 169.8 | -2.6 | 107.9 | S406 D410 | S406-R408 PolarHBondContact O-N 2.71Å; R408-D410 PolarHBondContact O-N 3.17Å; R408-D410 VanDerWaalsContact O-N 3.16Å | ||
| 409 | N | 41.3 | Very low | 41.6 | Very low | 138 Ų | 138 | 157.6 Ų | 157.6 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | trans | -71.7 | 95 | 162.7 | -98 | -19.3 | 0 | 0 | 0 | 108.6 | E407 Q411 | E407-N409 PolarHBondContact O-N 3.34Å; N409-Q411 VanDerWaalsContact C-N 3.29Å; N409-Q411 PolarHBondContact O-N 3.34Å; N409-Q411 VanDerWaalsContact O-N 3.07Å | ||
| 410 | D | 43.8 | Very low | 41.9 | Very low | 137 Ų | 137 | 162 Ų | 162 | 73% | 0.733 | 83% | 0.826 | S | S | * | * | trans | -76.7 | 84.5 | 165.3 | -70.6 | -26.6 | 0 | 0 | 0 | 108.1 | R408 N412 | R408-D410 PolarHBondContact O-N 3.17Å; R408-D410 VanDerWaalsContact O-N 3.16Å; D410-N412 VanDerWaalsContact C-N 3.3Å; D410-N412 PolarHBondContact O-N 2.91Å | ||
| 411 | Q | 42.7 | Very low | 42.3 | Very low | 169 Ų | 169 | 160.7 Ų | 160.7 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -80.3 | 78.4 | 166.6 | -73.2 | 179.4 | -13.3 | 0 | 0 | 109 | N409 G413 | N409-Q411 VanDerWaalsContact C-N 3.29Å; N409-Q411 PolarHBondContact O-N 3.34Å; N409-Q411 VanDerWaalsContact O-N 3.07Å; Q411-G413 PolarHBondContact O-N 3.17Å | ||
| 412 | N | 43.2 | Very low | 42.5 | Very low | 142 Ų | 142 | 158.8 Ų | 158.8 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | trans | -90.3 | 88.6 | 160.5 | -72.8 | -11.8 | 0 | 0 | 0 | 107.4 | D410 D414 | D410-N412 VanDerWaalsContact C-N 3.3Å; D410-N412 PolarHBondContact O-N 2.91Å; N412-D414 PolarHBondContact O-N 3.05Å | ||
| 413 | G | 39.3 | Very low | 42.8 | Very low | 71 Ų | 71 | 158.8 Ų | 158.8 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | trans | -78.8 | 97.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q411 E415 | Q411-G413 PolarHBondContact O-N 3.17Å; G413-E415 PolarHBondContact O-N 3.41Å | ||
| 414 | D | 45.8 | Very low | 43 | Very low | 142 Ų | 142 | 157.4 Ų | 157.4 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | -75.1 | 95.1 | 165.8 | -73.4 | -32.3 | 0 | 0 | 0 | 107.7 | N412 I416 | N412-D414 PolarHBondContact O-N 3.05Å; D414-I416 PolarHBondContact O-N 3.06Å | ||
| 415 | E | 43 | Very low | 43 | Very low | 179 Ų | 179 | 159.7 Ų | 159.7 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | trans | -67.7 | 100.6 | 161.6 | -79.6 | 176.4 | 159.9 | 0 | 0 | 107.7 | G413 | G413-E415 PolarHBondContact O-N 3.41Š| ||
| 416 | I | 47.4 | Very low | 43.3 | Very low | 133 Ų | 133 | 159.2 Ų | 159.2 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | trans | -90.3 | 97.5 | 166.1 | -66.2 | 164.7 | 0 | 0 | 0 | 106.4 | D414 E418 | D414-I416 PolarHBondContact O-N 3.06Å; I416-E418 HydrophobicContact CG2-CG 3.85Å; I416-E418 PolarHBondContact O-N 2.95Å | ||
| 417 | D | 49.8 | Very low | 43.7 | Very low | 153 Ų | 153 | 163.1 Ų | 163.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -71.9 | 100.2 | 163.3 | -72.3 | -36.7 | 0 | 0 | 0 | 108.1 | ||||
| 418 | E | 46.8 | Very low | 44 | Very low | 177 Ų | 177 | 161.3 Ų | 161.3 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | -98.5 | 111 | 165.5 | -86.5 | 178.6 | -170.8 | 0 | 0 | 109.3 | I416 | I416-E418 HydrophobicContact CG2-CG 3.85Å; I416-E418 PolarHBondContact O-N 2.95Å | ||
| 419 | E | 45.1 | Very low | 44.4 | Very low | 270 Ų | 270 | 155.5 Ų | 155.5 | 100% | 1.262 | 81% | 0.812 | S | S | * | * | trans | -69.6 | 0 | 160.1 | -76.7 | -173.9 | 152.4 | 0 | 0 | 112.2 |
Retrieved 419 of 419 residues in 474.6 ms
(Link to these results)