| 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 | 39.2 | Very low | 48.4 | Very low | 242 Ų | 242 | 162.5 Ų | 162.5 | 100% | 1.192 | 86% | 0.862 | S | S | * | * | 0 | 142.4 | 0 | -73.9 | -67.1 | 165.3 | 0 | 0 | 108 | |||||
| 2 | T | 38.8 | Very low | 48.5 | Very low | 137 Ų | 137 | 159.4 Ų | 159.4 | 84% | 0.84 | 85% | 0.853 | S | S | * | * | trans | -75.8 | 159.3 | -148.8 | 42.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 3 | S | 42.4 | Very low | 48.9 | Very low | 97 Ų | 97 | 160.1 Ų | 160.1 | 68% | 0.678 | 84% | 0.843 | S | S | * | * | trans | -29.8 | 158.9 | 163.5 | 179.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 4 | E | 40.3 | Very low | 49.2 | Very low | 187 Ų | 187 | 165 Ų | 165 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | -170.3 | 97.6 | 125.6 | -86.1 | -94.3 | 127.1 | 0 | 0 | 109.7 | S6 | E4-S6 PolarHBondContact O-N 3.43Š| |||
| 5 | R | 51.6 | Low | 48.9 | Very low | 233 Ų | 233 | 164.8 Ų | 164.8 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | -75.6 | 111 | 165.4 | -86.8 | 179.5 | 176 | 175.1 | -1 | 108.3 | S7 | R5-S7 PolarHBondContact O-N 3.22Š| ||
| 6 | S | 47.5 | Very low | 48.5 | Very low | 118 Ų | 118 | 161.4 Ų | 161.4 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -69.9 | 98.9 | 172.4 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | E4 K8 | E4-S6 PolarHBondContact O-N 3.43Å; S6-K8 PolarHBondContact O-N 3.42Å | ||
| 7 | S | 50.8 | Low | 48.5 | Very low | 110 Ų | 110 | 155.5 Ų | 155.5 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -78.1 | 111.4 | 172.2 | -64 | 0 | 0 | 0 | 0 | 109.4 | R5 A9 | R5-S7 PolarHBondContact O-N 3.22Å; S7-A9 PolarHBondContact O-N 3.03Å | ||
| 8 | K | 55 | Low | 48.2 | Very low | 195 Ų | 195 | 157.2 Ų | 157.2 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -66.3 | 114.8 | 170.3 | -69.6 | 178.5 | -178.7 | 176.1 | 0 | 108.8 | S6 L10 | S6-K8 PolarHBondContact O-N 3.42Å; K8-L10 PolarHBondContact O-N 3.22Å; K8-L10 VanDerWaalsContact O-N 3.11Å | ||
| 9 | A | 57.8 | Low | 48 | Very low | 99 Ų | 99 | 156.2 Ų | 156.2 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -63.3 | 109.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S7 K11 | S7-A9 PolarHBondContact O-N 3.03Å; A9-K11 PolarHBondContact O-N 3.11Å | ||
| 10 | L | 53 | Low | 48.2 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -62.7 | 116.6 | 168.2 | -71.3 | 163.8 | 0 | 0 | 0 | 108.1 | K8 V12 | K8-L10 PolarHBondContact O-N 3.22Å; K8-L10 VanDerWaalsContact O-N 3.11Å; L10-V12 VanDerWaalsContact C-N 3.35Å; L10-V12 PolarHBondContact O-N 2.95Å | ||
| 11 | K | 56 | Low | 48.7 | Very low | 208 Ų | 208 | 147.4 Ų | 147.4 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -71.1 | 94.7 | 173.6 | -165.7 | 154 | -177.6 | 170 | 0 | 107.7 | A9 K13 | A9-K11 PolarHBondContact O-N 3.11Å; K11-K13 PolarHBondContact O-N 3Å | ||
| 12 | V | 49.5 | Very low | 50.2 | Low | 125 Ų | 125 | 143 Ų | 143 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | trans | -53.8 | 109.9 | 175.1 | 176.9 | 0 | 0 | 0 | 0 | 108.2 | L10 R14 | L10-V12 VanDerWaalsContact C-N 3.35Å; L10-V12 PolarHBondContact O-N 2.95Å; V12-R14 PolarHBondContact O-N 3.1Å; V12-R14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | K | 53.3 | Low | 52.4 | Low | 168 Ų | 168 | 136.8 Ų | 136.8 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | trans | -62.2 | 108.8 | 166.1 | -171 | 176.8 | -179.8 | -174 | 0 | 105.5 | K11 E15 | K11-K13 PolarHBondContact O-N 3Å; K13-E15 PolarHBondContact O-N 2.96Å | ||
| 14 | R | 54.1 | Low | 54.9 | Low | 229 Ų | 229 | 135 Ų | 135 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | trans | -60.8 | 107.5 | 168.7 | -89.8 | -175.3 | 178.4 | -169.9 | -0.8 | 106.7 | V12 C16 | V12-R14 PolarHBondContact O-N 3.1Å; V12-R14 VanDerWaalsContact O-N 3.1Å; R14-C16 VanDerWaalsContact C-N 3.3Å; R14-C16 PolarHBondContact O-N 2.98Å | ||
| 15 | E | 44.4 | Very low | 57.5 | Low | 162 Ų | 162 | 129.2 Ų | 129.2 | 76% | 0.757 | 69% | 0.69 | S | S | * | * | trans | -61.9 | 94.9 | 163.9 | -59 | -63.7 | 143.9 | 0 | 0 | 106.8 | K13 G17 | K13-E15 PolarHBondContact O-N 2.96Å; E15-G17 PolarHBondContact O-N 3.15Å; E15-G17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | C | 41.6 | Very low | 59.5 | Low | 111 Ų | 111 | 122.1 Ų | 122.1 | 75% | 0.75 | 68% | 0.676 | S | S | * | * | trans | -88.8 | 65.2 | 179.5 | -155.5 | 0 | 0 | 0 | 0 | 108.5 | R14 | R14-C16 VanDerWaalsContact C-N 3.3Å; R14-C16 PolarHBondContact O-N 2.98Å | ||
| 17 | G | 48.4 | Very low | 61.8 | Low | 61 Ų | 61 | 120.3 Ų | 120.3 | 63% | 0.629 | 65% | 0.654 | S | S | * | * | trans | -112.7 | -2.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | E15 | E15-G17 PolarHBondContact O-N 3.15Å; E15-G17 VanDerWaalsContact O-N 3.15Å | ||
| 18 | E | 43.2 | Very low | 63.9 | Low | 185 Ų | 185 | 115 Ų | 115 | 86% | 0.864 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -134.1 | 32.8 | -169 | -79.4 | -172.3 | 134.4 | 0 | 0 | 114.9 | ||
| 19 | N | 44.8 | Very low | 65.9 | Low | 138 Ų | 138 | 109.5 Ų | 109.5 | 74% | 0.738 | 60% | 0.596 | S | S | * | * | trans | -136.3 | 71.9 | 164.8 | -79.2 | -84.4 | 0 | 0 | 0 | 109.2 | P21 | N19-P21 WeakPolarHBondContact O-CD 3.41Š| ||
| 20 | V | 52.3 | Low | 67.7 | Low | 79 Ų | 79 | 109.2 Ų | 109.2 | 48% | 0.479 | 59% | 0.588 | S | S | . | * | trans | -64.6 | 108.6 | 148.5 | 177.9 | 0 | 0 | 0 | 0 | 104.3 | V22 E47 | V20-V22 PolarHBondContact O-N 3.02Å; V20-V22 VanDerWaalsContact O-N 3.08Å; V20-E47 HydrophobicContact CG2-CG 4.37Å; V20-E47 WeakPolarHBondContact CG2-OE1 3.47Å | ||
| 21 | P | 58.5 | Low | 69.8 | Low | 50 Ų | 50 | 102.2 Ų | 102.2 | 33% | 0.325 | 55% | 0.551 | S | S | . | * | trans | -60.6 | 125.2 | 177.8 | -11 | 26.6 | 0 | 0 | 0 | 105.6 | N19 L23 | N19-P21 WeakPolarHBondContact O-CD 3.41Å; P21-L23 HydrophobicContact CB-CG 4.19Å; P21-L23 PolarHBondContact O-N 3.43Å | ||
| 22 | V | 70.9 | Confident | 71.8 | Confident | 148 Ų | 148 | 94.7 Ų | 94.7 | 90% | 0.897 | 53% | 0.525 | S | S | * | . | trans | -69.6 | 76.1 | 176 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | V20 S24 | V20-V22 PolarHBondContact O-N 3.02Å; V20-V22 VanDerWaalsContact O-N 3.08Å; V22-S24 PolarHBondContact O-N 3.33Å | ||
| 23 | L | 85.8 | Confident | 74 | Confident | 8 Ų | 8 | 93.5 Ų | 93.5 | 4% | 0.042 | 52% | 0.518 | C | S | . | . | trans | -73.7 | 123.7 | 178.7 | -70.9 | 168.9 | 0 | 0 | 0 | 108.3 | P21 E27 L28 H39 L51 R54 | P21-L23 HydrophobicContact CB-CG 4.19Å; P21-L23 PolarHBondContact O-N 3.43Å; L23-E27 HydrophobicContact CD2-CG 4.16Å; L23-L28 HydrophobicContact CD1-CD1 4.44Å; L23-H39 HydrophobicContact CD1-CB 4.47Å; L23-L51 HydrophobicContact CD1-CD1 4.23Å; L23-L51 HydrophobicContact CD1-CD2 3.87Å; L23-R54 PolarHBondContact O-NH1 3.13Å; L23-R54 PolarHBondContact O-NH2 3.04Å | ||
| 24 | S | 93.7 | Very high | 76.1 | Confident | 59 Ų | 59 | 95.9 Ų | 95.9 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | trans | -65 | 156.7 | 172.8 | 71.7 | 0 | 0 | 0 | 0 | 110.8 | V22 S26 E27 L28 | V22-S24 PolarHBondContact O-N 3.33Å; S24-S26 PolarHBondContact O-N 3.33Å; S24-E27 PolarHBondContact O-N 3.45Å; S24-E27 VanDerWaalsContact OG-CB 3.22Å; S24-E27 WeakPolarHBondContact OG-CB 3.3Å; S24-E27 PolarHBondContact OG-N 2.62Å; S24-L28 WeakPolarHBondContact O-CB 3.16Å; S24-L28 PolarHBondContact O-N 2.82Å | ||
| 25 | D | 94.8 | Very high | 78.1 | Confident | 65 Ų | 65 | 89.5 Ų | 89.5 | 35% | 0.348 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 175.9 | -82.8 | -5.8 | 0 | 0 | 0 | 111.2 | M29 R54 L58 | D25-M29 WeakPolarHBondContact O-CG 3.46Å; D25-M29 PolarHBondContact O-N 3.36Å; D25-M29 VanDerWaalsContact O-N 3.08Å; D25-R54 IonicContact OD1-CZ 3.04Å; D25-R54 IonicContact OD1-NE 2.83Å; D25-R54 PolarHBondContact OD1-NE 3.25Å; D25-R54 IonicContact OD1-NH2 2.61Å; D25-R54 PolarHBondContact OD1-NH2 3.4Å; D25-L58 HydrophobicContact CB-CD1 3.81Å; D25-L58 HydrophobicContact CB-CD2 4.07Å; D25-L58 WeakPolarHBondContact OD1-CD1 3.35Å; D25-L58 WeakPolarHBondContact OD2-CD2 3.5Å |
| 26 | S | 94.2 | Very high | 80.5 | Confident | 84 Ų | 84 | 82.4 Ų | 82.4 | 59% | 0.587 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.2 | -51.2 | -179.9 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | S24 M29 S30 | S24-S26 PolarHBondContact O-N 3.33Å; S26-M29 PolarHBondContact O-N 3.32Å; S26-S30 PolarHBondContact O-N 2.94Å; S26-S30 VanDerWaalsContact O-N 3.09Å; S26-S30 PolarHBondContact O-OG 3.46Å |
| 27 | E | 95.6 | Very high | 83.1 | Confident | 80 Ų | 80 | 80.8 Ų | 80.8 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 178.1 | -173.4 | 177.9 | -166.1 | 0 | 0 | 111.3 | L23 S24 M29 S30 L31 | L23-E27 HydrophobicContact CD2-CG 4.16Å; S24-E27 PolarHBondContact O-N 3.45Å; S24-E27 VanDerWaalsContact OG-CB 3.22Å; S24-E27 WeakPolarHBondContact OG-CB 3.3Å; S24-E27 PolarHBondContact OG-N 2.62Å; E27-M29 PolarHBondContact O-N 3.01Å; E27-S30 WeakPolarHBondContact CA-OG 3.46Å; E27-S30 PolarHBondContact O-N 3.49Å; E27-S30 PolarHBondContact O-OG 3.41Å; E27-L31 WeakPolarHBondContact O-CG 3.46Å; E27-L31 PolarHBondContact O-N 2.85Å |
| 28 | L | 95.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.4 | -33.4 | 178.8 | -177 | 59.3 | 0 | 0 | 0 | 112.9 | L23 S24 L36 L51 R54 R55 L58 | L23-L28 HydrophobicContact CD1-CD1 4.44Å; S24-L28 WeakPolarHBondContact O-CB 3.16Å; S24-L28 PolarHBondContact O-N 2.82Å; L28-L36 HydrophobicContact CD1-CD1 3.81Å; L28-L51 HydrophobicContact CD1-CD1 3.96Å; L28-L51 HydrophobicContact CD1-CD2 4.27Å; L28-L51 HydrophobicContact CD1-CG 3.9Å; L28-L51 HydrophobicContact CD2-CD1 3.81Å; L28-L51 HydrophobicContact CD2-CG 4.36Å; L28-R54 HydrophobicContact CD2-CB 4.21Å; L28-R54 HydrophobicContact CD2-CG 3.91Å; L28-R55 HydrophobicContact CD1-CB 4.1Å; L28-R55 HydrophobicContact CD1-CG 4.32Å; L28-R55 HydrophobicContact CD2-CB 4.03Å; L28-R55 HydrophobicContact CG-CB 3.87Å; L28-R55 HydrophobicContact CG-CG 4.08Å; L28-R55 WeakPolarHBondContact O-CD 3.32Å; L28-R55 PolarHBondContact O-NE 3.08Å; L28-L58 HydrophobicContact CD2-CD1 4.2Å |
| 29 | M | 96.1 | Very high | 87.6 | Confident | 79 Ų | 79 | 77.4 Ų | 77.4 | 39% | 0.389 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.5 | -42.4 | 174.2 | -74.6 | -172.9 | -62.4 | 0 | 0 | 112 | D25 S26 E27 R55 L58 | D25-M29 WeakPolarHBondContact O-CG 3.46Å; D25-M29 PolarHBondContact O-N 3.36Å; D25-M29 VanDerWaalsContact O-N 3.08Å; S26-M29 PolarHBondContact O-N 3.32Å; E27-M29 PolarHBondContact O-N 3.01Å; M29-R55 PolarHBondContact O-NH2 3.34Å; M29-L58 HydrophobicContact CG-CB 3.67Å; M29-L58 HydrophobicContact CG-CD1 4.09Å; M29-L58 HydrophobicContact CG-CG 4.47Å; M29-L58 HydrophobicContact SD-CB 3.79Å |
| 30 | S | 96.4 | Very high | 90 | Very high | 93 Ų | 93 | 71.6 Ų | 71.6 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -75.1 | -29.8 | -173 | 67.3 | 0 | 0 | 0 | 0 | 114.2 | S26 E27 S32 | S26-S30 PolarHBondContact O-N 2.94Å; S26-S30 VanDerWaalsContact O-N 3.09Å; S26-S30 PolarHBondContact O-OG 3.46Å; E27-S30 WeakPolarHBondContact CA-OG 3.46Å; E27-S30 PolarHBondContact O-N 3.49Å; E27-S30 PolarHBondContact O-OG 3.41Å; S30-S32 PolarHBondContact O-N 3.45Å |
| 31 | L | 96.8 | Very high | 92 | Very high | 15 Ų | 15 | 77.3 Ų | 77.3 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -50.7 | 136.3 | 178.8 | -71.3 | 171.6 | 0 | 0 | 0 | 111.6 | E27 E35 L36 R55 | E27-L31 WeakPolarHBondContact O-CG 3.46Å; E27-L31 PolarHBondContact O-N 2.85Å; L31-E35 HydrophobicContact CB-CB 4.36Å; L31-E35 HydrophobicContact CD2-CB 3.69Å; L31-L36 HydrophobicContact CB-CB 4.45Å; L31-L36 HydrophobicContact CD1-CD1 4.38Å; L31-R55 PolarHBondContact O-NH1 2.96Å; L31-R55 VanDerWaalsContact O-NH1 3.13Å; L31-R55 PolarHBondContact O-NH2 3.35Å |
| 32 | S | 96.9 | Very high | 93.6 | Very high | 50 Ų | 50 | 78 Ų | 78 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | trans | -63.4 | 172.2 | 164.2 | 66.8 | 0 | 0 | 0 | 0 | 111.4 | S30 R34 E35 L36 R55 | S30-S32 PolarHBondContact O-N 3.45Å; S32-R34 VanDerWaalsContact C-N 3.27Å; S32-R34 PolarHBondContact O-N 2.91Å; S32-E35 WeakPolarHBondContact CB-OE2 3.42Å; S32-E35 PolarHBondContact N-OE2 3.27Å; S32-E35 VanDerWaalsContact OG-CD 3.22Å; S32-E35 VanDerWaalsContact OG-CG 3.28Å; S32-E35 WeakPolarHBondContact OG-CG 3.27Å; S32-E35 PolarHBondContact OG-N 3.02Å; S32-E35 VanDerWaalsContact OG-N 3.11Å; S32-E35 PolarHBondContact OG-OE2 3.43Å; S32-L36 WeakPolarHBondContact O-CB 3.36Å; S32-L36 PolarHBondContact O-N 3.39Å; S32-R55 PolarHBondContact O-NH1 2.93Å | ||
| 33 | V | 96.4 | Very high | 94.6 | Very high | 100 Ų | 100 | 72.7 Ų | 72.7 | 61% | 0.606 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.7 | -38.3 | 172.7 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | N37 | V33-N37 WeakPolarHBondContact O-CB 3.28Å; V33-N37 PolarHBondContact O-N 3.5Å; V33-N37 PolarHBondContact O-ND2 3.28Å |
| 34 | R | 97.5 | Very high | 95.1 | Very high | 217 Ų | 217 | 74.7 Ų | 74.7 | 82% | 0.819 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.3 | -47.9 | 179.1 | -177.3 | 180 | 173.5 | -172.8 | -2.1 | 111.5 | S32 N37 L38 | S32-R34 VanDerWaalsContact C-N 3.27Å; S32-R34 PolarHBondContact O-N 2.91Å; R34-N37 PolarHBondContact O-N 3.18Å; R34-L38 PolarHBondContact O-N 3.45Å; R34-L38 VanDerWaalsContact O-N 3.08Å |
| 35 | E | 96.4 | Very high | 95.2 | Very high | 96 Ų | 96 | 80.7 Ų | 80.7 | 45% | 0.449 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.7 | -38.6 | -179.8 | -65.2 | 155.3 | 148.1 | 0 | 0 | 111.5 | L31 S32 N37 L38 H39 | L31-E35 HydrophobicContact CB-CB 4.36Å; L31-E35 HydrophobicContact CD2-CB 3.69Å; S32-E35 WeakPolarHBondContact CB-OE2 3.42Å; S32-E35 PolarHBondContact N-OE2 3.27Å; S32-E35 VanDerWaalsContact OG-CD 3.22Å; S32-E35 VanDerWaalsContact OG-CG 3.28Å; S32-E35 WeakPolarHBondContact OG-CG 3.27Å; S32-E35 PolarHBondContact OG-N 3.02Å; S32-E35 VanDerWaalsContact OG-N 3.11Å; S32-E35 PolarHBondContact OG-OE2 3.43Å; E35-N37 VanDerWaalsContact C-N 3.33Å; E35-N37 PolarHBondContact O-N 3.23Å; E35-L38 WeakPolarHBondContact O-CB 3.4Å; E35-L38 PolarHBondContact O-N 3.31Å; E35-H39 PolarHBondContact O-N 3.26Å; E35-H39 VanDerWaalsContact O-N 3.15Å; E35-H39 PolarHBondContact O-ND1 2.89Å |
| 36 | L | 95.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 83.4 Ų | 83.4 | 6% | 0.063 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 171.5 | 176.4 | 68.4 | 0 | 0 | 0 | 110.8 | L28 L31 S32 L38 H39 L40 L51 | L28-L36 HydrophobicContact CD1-CD1 3.81Å; L31-L36 HydrophobicContact CB-CB 4.45Å; L31-L36 HydrophobicContact CD1-CD1 4.38Å; S32-L36 WeakPolarHBondContact O-CB 3.36Å; S32-L36 PolarHBondContact O-N 3.39Å; L36-L38 PolarHBondContact O-N 3.17Å; L36-H39 PolarHBondContact O-N 2.96Å; L36-L40 HydrophobicContact CD1-CD1 4.49Å; L36-L40 HydrophobicContact CD1-CG 4.3Å; L36-L40 HydrophobicContact CD2-CD1 4.41Å; L36-L40 HydrophobicContact CG-CD1 3.99Å; L36-L40 HydrophobicContact CG-CG 4.23Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.28Å; L36-L40 PolarHBondContact O-N 3.08Å; L36-L51 HydrophobicContact CD1-CD2 3.95Å |
| 37 | N | 95.8 | Very high | 95.1 | Very high | 77 Ų | 77 | 82.4 Ų | 82.4 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.9 | -26.4 | 179.8 | -74.3 | -22.5 | 0 | 0 | 0 | 113 | V33 R34 E35 R41 | V33-N37 WeakPolarHBondContact O-CB 3.28Å; V33-N37 PolarHBondContact O-N 3.5Å; V33-N37 PolarHBondContact O-ND2 3.28Å; R34-N37 PolarHBondContact O-N 3.18Å; E35-N37 VanDerWaalsContact C-N 3.33Å; E35-N37 PolarHBondContact O-N 3.23Å; N37-R41 WeakPolarHBondContact O-CG 3.37Å |
| 38 | L | 94.5 | Very high | 95.1 | Very high | 114 Ų | 114 | 80 Ų | 80 | 60% | 0.597 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -68.2 | -46.8 | 171.3 | -175.1 | 63.8 | 0 | 0 | 0 | 111.2 | R34 E35 L36 L40 R41 | R34-L38 PolarHBondContact O-N 3.45Å; R34-L38 VanDerWaalsContact O-N 3.08Å; E35-L38 WeakPolarHBondContact O-CB 3.4Å; E35-L38 PolarHBondContact O-N 3.31Å; L36-L38 PolarHBondContact O-N 3.17Å; L38-L40 PolarHBondContact O-N 2.98Å; L38-R41 WeakPolarHBondContact O-CB 3.05Å; L38-R41 PolarHBondContact O-N 3.07Å |
| 39 | H | 92.1 | Very high | 95.1 | Very high | 62 Ų | 62 | 85.3 Ų | 85.3 | 29% | 0.287 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.6 | -23.4 | 177.2 | -71.5 | 82.8 | 0 | 0 | 0 | 113.5 | L23 E35 L36 R41 | L23-H39 HydrophobicContact CD1-CB 4.47Å; E35-H39 PolarHBondContact O-N 3.26Å; E35-H39 VanDerWaalsContact O-N 3.15Å; E35-H39 PolarHBondContact O-ND1 2.89Å; L36-H39 PolarHBondContact O-N 2.96Å; H39-R41 VanDerWaalsContact C-N 3.32Å |
| 40 | L | 94.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 89.6 Ų | 89.6 | 8% | 0.084 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -11.1 | 176.8 | -67.6 | 176.6 | 0 | 0 | 0 | 113.6 | L36 L38 G42 L43 V48 L51 K52 | L36-L40 HydrophobicContact CD1-CD1 4.49Å; L36-L40 HydrophobicContact CD1-CG 4.3Å; L36-L40 HydrophobicContact CD2-CD1 4.41Å; L36-L40 HydrophobicContact CG-CD1 3.99Å; L36-L40 HydrophobicContact CG-CG 4.23Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.28Å; L36-L40 PolarHBondContact O-N 3.08Å; L38-L40 PolarHBondContact O-N 2.98Å; L40-G42 PolarHBondContact O-N 2.93Å; L40-L43 HydrophobicContact CD2-CD1 4.26Å; L40-L43 PolarHBondContact O-N 3.38Å; L40-V48 HydrophobicContact CB-CG2 4.38Å; L40-V48 HydrophobicContact CD1-CG1 4.22Å; L40-V48 HydrophobicContact CD2-CB 4.3Å; L40-V48 HydrophobicContact CD2-CG1 4.15Å; L40-V48 HydrophobicContact CD2-CG2 4.09Å; L40-L51 HydrophobicContact CD2-CB 4.25Å; L40-L51 HydrophobicContact CD2-CD2 3.68Å; L40-L51 HydrophobicContact CD2-CG 4.5Å; L40-K52 HydrophobicContact CD1-CG 4.42Å |
| 41 | R | 94.4 | Very high | 95 | Very high | 198 Ų | 198 | 86 Ų | 86 | 75% | 0.747 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 133 | -178.8 | -66 | -172.6 | -179.3 | -139.1 | -1 | 110.3 | N37 L38 H39 L43 | N37-R41 WeakPolarHBondContact O-CG 3.37Å; L38-R41 WeakPolarHBondContact O-CB 3.05Å; L38-R41 PolarHBondContact O-N 3.07Å; H39-R41 VanDerWaalsContact C-N 3.32Å; R41-L43 PolarHBondContact O-N 3.17Å |
| 42 | G | 91 | Very high | 95 | Very high | 65 Ų | 65 | 90.4 Ų | 90.4 | 67% | 0.67 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -4.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L40 | L40-G42 PolarHBondContact O-N 2.93Š|
| 43 | L | 93.1 | Very high | 95 | Very high | 36 Ų | 36 | 93.2 Ų | 93.2 | 19% | 0.188 | 45% | 0.445 | C | S | . | . | trans | -80 | 152.9 | 171.7 | -60.3 | -174.5 | 0 | 0 | 0 | 111.4 | L40 R41 E47 V48 | L40-L43 HydrophobicContact CD2-CD1 4.26Å; L40-L43 PolarHBondContact O-N 3.38Å; R41-L43 PolarHBondContact O-N 3.17Å; L43-E47 HydrophobicContact CB-CB 4.14Å; L43-E47 HydrophobicContact CD1-CB 4.49Å; L43-V48 HydrophobicContact CB-CG2 3.96Å | ||
| 44 | S | 95.2 | Very high | 95.1 | Very high | 50 Ų | 50 | 92.7 Ų | 92.7 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | trans | -66.1 | 162.5 | 170.9 | 66.3 | 0 | 0 | 0 | 0 | 112.1 | E46 E47 V48 | S44-E46 VanDerWaalsContact C-N 3.26Å; S44-E46 PolarHBondContact O-N 3.39Å; S44-E47 VanDerWaalsContact CB-OE2 3.3Å; S44-E47 WeakPolarHBondContact CB-OE2 3.38Å; S44-E47 PolarHBondContact N-OE2 3.15Å; S44-E47 PolarHBondContact O-N 3.45Å; S44-E47 WeakPolarHBondContact OG-CB 3.39Å; S44-E47 WeakPolarHBondContact OG-CG 3.41Å; S44-E47 PolarHBondContact OG-N 2.7Å; S44-E47 PolarHBondContact OG-OE2 3.27Å; S44-V48 VanDerWaalsContact O-CG2 3.27Å; S44-V48 WeakPolarHBondContact O-CG2 3.41Å; S44-V48 PolarHBondContact O-N 2.98Å | ||
| 45 | R | 95.4 | Very high | 95.1 | Very high | 185 Ų | 185 | 83.2 Ų | 83.2 | 70% | 0.698 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.5 | -40 | -179.1 | -175.7 | -177.7 | -179 | -153.4 | 0.6 | 111.4 | V48 Q49 | R45-V48 PolarHBondContact O-N 3.41Å; R45-Q49 WeakPolarHBondContact O-CG 3.34Å; R45-Q49 PolarHBondContact O-N 2.94Å |
| 46 | E | 95.3 | Very high | 95.1 | Very high | 122 Ų | 122 | 86.4 Ų | 86.4 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.2 | -43.9 | -178.7 | -65.9 | 64.4 | -139.8 | 0 | 0 | 110.7 | S44 Q49 K50 | S44-E46 VanDerWaalsContact C-N 3.26Å; S44-E46 PolarHBondContact O-N 3.39Å; E46-Q49 PolarHBondContact O-N 2.9Å; E46-K50 WeakPolarHBondContact O-CB 3.37Å; E46-K50 PolarHBondContact O-N 2.94Å |
| 47 | E | 93.1 | Very high | 95.3 | Very high | 63 Ų | 63 | 89 Ų | 89 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 176 | -71.1 | 165.7 | 138.6 | 0 | 0 | 112 | V20 L43 S44 Q49 K50 L51 | V20-E47 HydrophobicContact CG2-CG 4.37Å; V20-E47 WeakPolarHBondContact CG2-OE1 3.47Å; L43-E47 HydrophobicContact CB-CB 4.14Å; L43-E47 HydrophobicContact CD1-CB 4.49Å; S44-E47 VanDerWaalsContact CB-OE2 3.3Å; S44-E47 WeakPolarHBondContact CB-OE2 3.38Å; S44-E47 PolarHBondContact N-OE2 3.15Å; S44-E47 PolarHBondContact O-N 3.45Å; S44-E47 WeakPolarHBondContact OG-CB 3.39Å; S44-E47 WeakPolarHBondContact OG-CG 3.41Å; S44-E47 PolarHBondContact OG-N 2.7Å; S44-E47 PolarHBondContact OG-OE2 3.27Å; E47-Q49 VanDerWaalsContact C-N 3.32Å; E47-Q49 PolarHBondContact O-N 3.36Å; E47-K50 PolarHBondContact O-N 3.08Å; E47-L51 PolarHBondContact O-N 3Å |
| 48 | V | 94.9 | Very high | 95.3 | Very high | 29 Ų | 29 | 85.9 Ų | 85.9 | 18% | 0.176 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | L40 L43 S44 R45 L51 K52 | L40-V48 HydrophobicContact CB-CG2 4.38Å; L40-V48 HydrophobicContact CD1-CG1 4.22Å; L40-V48 HydrophobicContact CD2-CB 4.3Å; L40-V48 HydrophobicContact CD2-CG1 4.15Å; L40-V48 HydrophobicContact CD2-CG2 4.09Å; L43-V48 HydrophobicContact CB-CG2 3.96Å; S44-V48 VanDerWaalsContact O-CG2 3.27Å; S44-V48 WeakPolarHBondContact O-CG2 3.41Å; S44-V48 PolarHBondContact O-N 2.98Å; R45-V48 PolarHBondContact O-N 3.41Å; V48-L51 PolarHBondContact O-N 2.82Å; V48-K52 HydrophobicContact CG1-CD 4.08Å; V48-K52 WeakPolarHBondContact O-CB 3.28Å; V48-K52 WeakPolarHBondContact O-CG 3.22Å; V48-K52 PolarHBondContact O-N 2.67Å |
| 49 | Q | 96.4 | Very high | 95.5 | Very high | 112 Ų | 112 | 83.9 Ų | 83.9 | 52% | 0.523 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 177 | -76 | -177.4 | -4.3 | 0 | 0 | 111.6 | R45 E46 E47 L51 K52 Q53 | R45-Q49 WeakPolarHBondContact O-CG 3.34Å; R45-Q49 PolarHBondContact O-N 2.94Å; E46-Q49 PolarHBondContact O-N 2.9Å; E47-Q49 VanDerWaalsContact C-N 3.32Å; E47-Q49 PolarHBondContact O-N 3.36Å; Q49-L51 PolarHBondContact O-N 3.44Å; Q49-K52 PolarHBondContact O-N 3.11Å; Q49-Q53 VanDerWaalsContact O-CB 3.28Å; Q49-Q53 WeakPolarHBondContact O-CB 3.11Å; Q49-Q53 PolarHBondContact O-N 3.15Å |
| 50 | K | 95.1 | Very high | 95.8 | Very high | 169 Ų | 169 | 84.8 Ų | 84.8 | 74% | 0.735 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -58.7 | -45.3 | 178.5 | -171.7 | 177.6 | -179 | -179.7 | 0 | 111.6 | E46 E47 Q53 R54 | E46-K50 WeakPolarHBondContact O-CB 3.37Å; E46-K50 PolarHBondContact O-N 2.94Å; E47-K50 PolarHBondContact O-N 3.08Å; K50-Q53 PolarHBondContact O-N 2.55Å; K50-R54 WeakPolarHBondContact O-CB 3.31Å; K50-R54 PolarHBondContact O-N 3.41Å |
| 51 | L | 95.3 | Very high | 95.9 | Very high | 19 Ų | 19 | 91.8 Ų | 91.8 | 10% | 0.099 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -69.2 | -42.2 | -179 | -163.8 | 69.3 | 0 | 0 | 0 | 112 | L23 L28 L36 L40 E47 V48 Q49 R54 R55 | L23-L51 HydrophobicContact CD1-CD1 4.23Å; L23-L51 HydrophobicContact CD1-CD2 3.87Å; L28-L51 HydrophobicContact CD1-CD1 3.96Å; L28-L51 HydrophobicContact CD1-CD2 4.27Å; L28-L51 HydrophobicContact CD1-CG 3.9Å; L28-L51 HydrophobicContact CD2-CD1 3.81Å; L28-L51 HydrophobicContact CD2-CG 4.36Å; L36-L51 HydrophobicContact CD1-CD2 3.95Å; L40-L51 HydrophobicContact CD2-CB 4.25Å; L40-L51 HydrophobicContact CD2-CD2 3.68Å; L40-L51 HydrophobicContact CD2-CG 4.5Å; E47-L51 PolarHBondContact O-N 3Å; V48-L51 PolarHBondContact O-N 2.82Å; Q49-L51 PolarHBondContact O-N 3.44Å; L51-R54 PolarHBondContact O-N 2.83Å; L51-R55 WeakPolarHBondContact O-CB 3.25Å; L51-R55 PolarHBondContact O-N 3.5Å |
| 52 | K | 96.4 | Very high | 96 | Very high | 106 Ų | 106 | 84 Ų | 84 | 46% | 0.461 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.4 | -76.7 | -178.9 | 176.5 | 179.4 | 0 | 111.8 | L40 V48 Q49 R55 R56 | L40-K52 HydrophobicContact CD1-CG 4.42Å; V48-K52 HydrophobicContact CG1-CD 4.08Å; V48-K52 WeakPolarHBondContact O-CB 3.28Å; V48-K52 WeakPolarHBondContact O-CG 3.22Å; V48-K52 PolarHBondContact O-N 2.67Å; Q49-K52 PolarHBondContact O-N 3.11Å; K52-R55 PolarHBondContact O-N 2.81Å; K52-R56 WeakPolarHBondContact O-CB 3.5Å; K52-R56 PolarHBondContact O-N 3.34Å |
| 53 | Q | 97.5 | Very high | 96.4 | Very high | 109 Ų | 109 | 87.7 Ų | 87.7 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 178.1 | -176.8 | 59.3 | 21 | 0 | 0 | 111.2 | Q49 K50 R55 R56 T57 | Q49-Q53 VanDerWaalsContact O-CB 3.28Å; Q49-Q53 WeakPolarHBondContact O-CB 3.11Å; Q49-Q53 PolarHBondContact O-N 3.15Å; K50-Q53 PolarHBondContact O-N 2.55Å; Q53-R55 VanDerWaalsContact C-N 3.33Å; Q53-R55 PolarHBondContact O-N 3.03Å; Q53-R56 PolarHBondContact O-N 3.37Å; Q53-T57 PolarHBondContact O-N 3.07Å; Q53-T57 PolarHBondContact O-OG1 3.19Å |
| 54 | R | 96.9 | Very high | 96.6 | Very high | 90 Ų | 90 | 88.2 Ų | 88.2 | 34% | 0.34 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56 | -48.3 | 174.5 | -178.1 | 176 | 165.6 | -138.1 | 7.6 | 110.9 | L23 D25 L28 K50 L51 R56 T57 L58 | L23-R54 PolarHBondContact O-NH1 3.13Å; L23-R54 PolarHBondContact O-NH2 3.04Å; D25-R54 IonicContact OD1-CZ 3.04Å; D25-R54 IonicContact OD1-NE 2.83Å; D25-R54 PolarHBondContact OD1-NE 3.25Å; D25-R54 IonicContact OD1-NH2 2.61Å; D25-R54 PolarHBondContact OD1-NH2 3.4Å; L28-R54 HydrophobicContact CD2-CB 4.21Å; L28-R54 HydrophobicContact CD2-CG 3.91Å; K50-R54 WeakPolarHBondContact O-CB 3.31Å; K50-R54 PolarHBondContact O-N 3.41Å; L51-R54 PolarHBondContact O-N 2.83Å; R54-R56 VanDerWaalsContact C-N 3.34Å; R54-R56 PolarHBondContact O-N 3.22Å; R54-T57 PolarHBondContact O-N 2.87Å; R54-L58 HydrophobicContact CG-CD1 4.17Å; R54-L58 VanDerWaalsContact O-CG 3.31Å; R54-L58 WeakPolarHBondContact O-CG 3.34Å; R54-L58 PolarHBondContact O-N 3.37Å |
| 55 | R | 97.4 | Very high | 96.8 | Very high | 18 Ų | 18 | 88.4 Ų | 88.4 | 7% | 0.068 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 177.1 | -171.4 | 174.4 | -176.3 | -175 | -7.4 | 112.6 | L28 M29 L31 S32 L51 K52 Q53 L58 K59 | L28-R55 HydrophobicContact CD1-CB 4.1Å; L28-R55 HydrophobicContact CD1-CG 4.32Å; L28-R55 HydrophobicContact CD2-CB 4.03Å; L28-R55 HydrophobicContact CG-CB 3.87Å; L28-R55 HydrophobicContact CG-CG 4.08Å; L28-R55 WeakPolarHBondContact O-CD 3.32Å; L28-R55 PolarHBondContact O-NE 3.08Å; M29-R55 PolarHBondContact O-NH2 3.34Å; L31-R55 PolarHBondContact O-NH1 2.96Å; L31-R55 VanDerWaalsContact O-NH1 3.13Å; L31-R55 PolarHBondContact O-NH2 3.35Å; S32-R55 PolarHBondContact O-NH1 2.93Å; L51-R55 WeakPolarHBondContact O-CB 3.25Å; L51-R55 PolarHBondContact O-N 3.5Å; K52-R55 PolarHBondContact O-N 2.81Å; Q53-R55 VanDerWaalsContact C-N 3.33Å; Q53-R55 PolarHBondContact O-N 3.03Å; R55-L58 PolarHBondContact O-N 3.2Å; R55-K59 VanDerWaalsContact NH2-NZ 3.12Å; R55-K59 PolarHBondContact O-N 3.26Å |
| 56 | R | 98.3 | Very high | 96.9 | Very high | 163 Ų | 163 | 82.7 Ų | 82.7 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.2 | -46.8 | 177.4 | -175.6 | 176.2 | -174.6 | 176.5 | 0.5 | 111.4 | K52 Q53 R54 L58 K59 N60 | K52-R56 WeakPolarHBondContact O-CB 3.5Å; K52-R56 PolarHBondContact O-N 3.34Å; Q53-R56 PolarHBondContact O-N 3.37Å; R54-R56 VanDerWaalsContact C-N 3.34Å; R54-R56 PolarHBondContact O-N 3.22Å; R56-L58 VanDerWaalsContact C-N 3.32Å; R56-L58 PolarHBondContact O-N 2.99Å; R56-K59 PolarHBondContact O-N 3.44Å; R56-N60 WeakPolarHBondContact O-CB 3.33Å; R56-N60 VanDerWaalsContact O-CG 3.25Å; R56-N60 PolarHBondContact O-N 3.4Å |
| 57 | T | 98 | Very high | 97.1 | Very high | 67 Ų | 67 | 79.8 Ų | 79.8 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 177.2 | -61 | 0 | 0 | 0 | 0 | 111.6 | Q53 R54 N60 R61 | Q53-T57 PolarHBondContact O-N 3.07Å; Q53-T57 PolarHBondContact O-OG1 3.19Å; R54-T57 PolarHBondContact O-N 2.87Å; T57-N60 PolarHBondContact O-N 3.45Å; T57-R61 PolarHBondContact O-N 3.05Å |
| 58 | L | 97.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 85.3 Ų | 85.3 | 5% | 0.052 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 177.7 | -68.7 | 172.4 | 0 | 0 | 0 | 112.4 | D25 L28 M29 R54 R55 R56 N60 R61 G62 | D25-L58 HydrophobicContact CB-CD1 3.81Å; D25-L58 HydrophobicContact CB-CD2 4.07Å; D25-L58 WeakPolarHBondContact OD1-CD1 3.35Å; D25-L58 WeakPolarHBondContact OD2-CD2 3.5Å; L28-L58 HydrophobicContact CD2-CD1 4.2Å; M29-L58 HydrophobicContact CG-CB 3.67Å; M29-L58 HydrophobicContact CG-CD1 4.09Å; M29-L58 HydrophobicContact CG-CG 4.47Å; M29-L58 HydrophobicContact SD-CB 3.79Å; R54-L58 HydrophobicContact CG-CD1 4.17Å; R54-L58 VanDerWaalsContact O-CG 3.31Å; R54-L58 WeakPolarHBondContact O-CG 3.34Å; R54-L58 PolarHBondContact O-N 3.37Å; R55-L58 PolarHBondContact O-N 3.2Å; R56-L58 VanDerWaalsContact C-N 3.32Å; R56-L58 PolarHBondContact O-N 2.99Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 2.72Å; L58-R61 WeakPolarHBondContact O-CB 3.45Å; L58-R61 PolarHBondContact O-N 3.09Å; L58-G62 PolarHBondContact O-N 2.61Å |
| 59 | K | 97.7 | Very high | 97.5 | Very high | 72 Ų | 72 | 88.8 Ų | 88.8 | 31% | 0.313 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.5 | -76.6 | -168.6 | 173.4 | -173.8 | 0 | 112.2 | R55 R56 R61 G62 Y63 | R55-K59 VanDerWaalsContact NH2-NZ 3.12Å; R55-K59 PolarHBondContact O-N 3.26Å; R56-K59 PolarHBondContact O-N 3.44Å; K59-R61 VanDerWaalsContact C-N 3.28Å; K59-R61 PolarHBondContact O-N 2.93Å; K59-G62 WeakPolarHBondContact O-CA 3.47Å; K59-G62 PolarHBondContact O-N 2.95Å; K59-Y63 HydrophobicContact CB-CD2 4.44Å; K59-Y63 HydrophobicContact CB-CE2 3.88Å; K59-Y63 VanDerWaalsContact O-CD2 3.25Å; K59-Y63 WeakPolarHBondContact O-CD2 3.22Å; K59-Y63 PolarHBondContact O-N 3.35Å |
| 60 | N | 98.1 | Very high | 97.6 | Very high | 82 Ų | 82 | 90.9 Ų | 90.9 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.8 | -36 | 177.2 | -76.4 | -4.6 | 0 | 0 | 0 | 112.5 | R56 T57 L58 G62 Y63 A64 | R56-N60 WeakPolarHBondContact O-CB 3.33Å; R56-N60 VanDerWaalsContact O-CG 3.25Å; R56-N60 PolarHBondContact O-N 3.4Å; T57-N60 PolarHBondContact O-N 3.45Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 2.72Å; N60-G62 VanDerWaalsContact C-N 3.34Å; N60-Y63 PolarHBondContact O-N 3.02Å; N60-A64 WeakPolarHBondContact O-CB 3.46Å; N60-A64 PolarHBondContact O-N 3.17Å |
| 61 | R | 97.7 | Very high | 97.8 | Very high | 162 Ų | 162 | 90.6 Ų | 90.6 | 61% | 0.611 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.6 | -46.1 | 171.7 | -173.4 | -174.8 | -70.8 | 153.8 | -4.4 | 111 | T57 L58 K59 A64 A65 | T57-R61 PolarHBondContact O-N 3.05Å; L58-R61 WeakPolarHBondContact O-CB 3.45Å; L58-R61 PolarHBondContact O-N 3.09Å; K59-R61 VanDerWaalsContact C-N 3.28Å; K59-R61 PolarHBondContact O-N 2.93Å; R61-A64 PolarHBondContact O-N 2.98Å; R61-A65 PolarHBondContact O-N 2.84Å |
| 62 | G | 96.8 | Very high | 98 | Very high | 34 Ų | 34 | 92.8 Ų | 92.8 | 35% | 0.351 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L58 K59 N60 A64 A65 S66 | L58-G62 PolarHBondContact O-N 2.61Å; K59-G62 WeakPolarHBondContact O-CA 3.47Å; K59-G62 PolarHBondContact O-N 2.95Å; N60-G62 VanDerWaalsContact C-N 3.34Å; G62-A64 VanDerWaalsContact C-N 3.3Å; G62-A64 PolarHBondContact O-N 3.46Å; G62-A65 PolarHBondContact O-N 3.45Å; G62-A65 VanDerWaalsContact O-N 3.15Å; G62-S66 PolarHBondContact O-N 3.41Å; G62-S66 PolarHBondContact O-OG 3.47Å |
| 63 | Y | 98.1 | Very high | 98.1 | Very high | 143 Ų | 143 | 90.9 Ų | 90.9 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61 | -37.3 | 177.7 | -62 | -40 | 0 | 0 | 0 | 112.9 | K59 N60 S66 C67 | K59-Y63 HydrophobicContact CB-CD2 4.44Å; K59-Y63 HydrophobicContact CB-CE2 3.88Å; K59-Y63 VanDerWaalsContact O-CD2 3.25Å; K59-Y63 WeakPolarHBondContact O-CD2 3.22Å; K59-Y63 PolarHBondContact O-N 3.35Å; N60-Y63 PolarHBondContact O-N 3.02Å; Y63-S66 PolarHBondContact O-N 3.43Å; Y63-C67 WeakPolarHBondContact O-CB 3.44Å; Y63-C67 PolarHBondContact O-N 3.21Å |
| 64 | A | 98.5 | Very high | 98.1 | Very high | 47 Ų | 47 | 91.8 Ų | 91.8 | 39% | 0.388 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | N60 R61 G62 C67 R68 | N60-A64 WeakPolarHBondContact O-CB 3.46Å; N60-A64 PolarHBondContact O-N 3.17Å; R61-A64 PolarHBondContact O-N 2.98Å; G62-A64 VanDerWaalsContact C-N 3.3Å; G62-A64 PolarHBondContact O-N 3.46Å; A64-C67 PolarHBondContact O-N 2.92Å; A64-R68 WeakPolarHBondContact O-CG 3.49Å; A64-R68 PolarHBondContact O-N 3.04Å; A64-R68 VanDerWaalsContact O-N 3.11Å |
| 65 | A | 98 | Very high | 98.2 | Very high | 55 Ų | 55 | 94.2 Ų | 94.2 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R61 G62 C67 R68 V69 | R61-A65 PolarHBondContact O-N 2.84Å; G62-A65 PolarHBondContact O-N 3.45Å; G62-A65 VanDerWaalsContact O-N 3.15Å; A65-C67 VanDerWaalsContact C-N 3.27Å; A65-C67 PolarHBondContact O-N 3.15Å; A65-R68 WeakPolarHBondContact O-CB 3.49Å; A65-R68 PolarHBondContact O-N 3.19Å; A65-R68 VanDerWaalsContact O-N 3.14Å; A65-V69 WeakPolarHBondContact O-CG2 3.4Å; A65-V69 PolarHBondContact O-N 3.31Å |
| 66 | S | 98.4 | Very high | 98.3 | Very high | 64 Ų | 64 | 98.3 Ų | 98.3 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -35.5 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 112.7 | G62 Y63 V69 K70 | G62-S66 PolarHBondContact O-N 3.41Å; G62-S66 PolarHBondContact O-OG 3.47Å; Y63-S66 PolarHBondContact O-N 3.43Å; S66-V69 PolarHBondContact O-N 2.92Å; S66-K70 WeakPolarHBondContact O-CB 3.21Å; S66-K70 WeakPolarHBondContact O-CG 3.36Å; S66-K70 PolarHBondContact O-N 3.44Å |
| 67 | C | 98.6 | Very high | 98.3 | Very high | 61 Ų | 61 | 93 Ų | 93 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.5 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | Y63 A64 A65 K70 R71 | Y63-C67 WeakPolarHBondContact O-CB 3.44Å; Y63-C67 PolarHBondContact O-N 3.21Å; A64-C67 PolarHBondContact O-N 2.92Å; A65-C67 VanDerWaalsContact C-N 3.27Å; A65-C67 PolarHBondContact O-N 3.15Å; C67-K70 PolarHBondContact O-N 3.14Å; C67-R71 WeakPolarHBondContact O-CB 3.37Å; C67-R71 PolarHBondContact O-N 3.11Å |
| 68 | R | 98.6 | Very high | 98.3 | Very high | 179 Ų | 179 | 94.5 Ų | 94.5 | 68% | 0.675 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.5 | -47.4 | 175.7 | -67.7 | 171.8 | -172.1 | -151.5 | 1.6 | 111.1 | A64 A65 R71 V72 | A64-R68 WeakPolarHBondContact O-CG 3.49Å; A64-R68 PolarHBondContact O-N 3.04Å; A64-R68 VanDerWaalsContact O-N 3.11Å; A65-R68 WeakPolarHBondContact O-CB 3.49Å; A65-R68 PolarHBondContact O-N 3.19Å; A65-R68 VanDerWaalsContact O-N 3.14Å; R68-R71 PolarHBondContact O-N 2.9Å; R68-V72 WeakPolarHBondContact O-CG2 3.26Å; R68-V72 PolarHBondContact O-N 3.47Å |
| 69 | V | 98.6 | Very high | 98.4 | Very high | 102 Ų | 102 | 98.1 Ų | 98.1 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.8 | -49.6 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | A65 S66 R71 V72 S73 | A65-V69 WeakPolarHBondContact O-CG2 3.4Å; A65-V69 PolarHBondContact O-N 3.31Å; S66-V69 PolarHBondContact O-N 2.92Å; V69-R71 VanDerWaalsContact C-N 3.31Å; V69-R71 PolarHBondContact O-N 3.37Å; V69-V72 PolarHBondContact O-N 3.46Å; V69-S73 WeakPolarHBondContact O-CB 3.34Å; V69-S73 PolarHBondContact O-N 3.07Å |
| 70 | K | 98.7 | Very high | 98.4 | Very high | 157 Ų | 157 | 98.6 Ų | 98.6 | 68% | 0.683 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.9 | -43.1 | 177.6 | -77.3 | -177.6 | 180 | -174.9 | 0 | 112.1 | S66 C67 Q74 | S66-K70 WeakPolarHBondContact O-CB 3.21Å; S66-K70 WeakPolarHBondContact O-CG 3.36Å; S66-K70 PolarHBondContact O-N 3.44Å; C67-K70 PolarHBondContact O-N 3.14Å; K70-Q74 VanDerWaalsContact O-CB 3.26Å; K70-Q74 WeakPolarHBondContact O-CB 3.35Å; K70-Q74 PolarHBondContact O-N 3.26Å |
| 71 | R | 98.8 | Very high | 98.5 | Very high | 162 Ų | 162 | 99.9 Ų | 99.9 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 179.8 | -171.9 | -175.1 | -58.2 | 161.1 | 1.9 | 112.1 | C67 R68 V69 Q74 R75 | C67-R71 WeakPolarHBondContact O-CB 3.37Å; C67-R71 PolarHBondContact O-N 3.11Å; R68-R71 PolarHBondContact O-N 2.9Å; V69-R71 VanDerWaalsContact C-N 3.31Å; V69-R71 PolarHBondContact O-N 3.37Å; R71-Q74 PolarHBondContact O-N 2.92Å; R71-R75 PolarHBondContact O-N 2.98Å |
| 72 | V | 98.7 | Very high | 98.5 | Very high | 65 Ų | 65 | 99.4 Ų | 99.4 | 39% | 0.394 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -49.4 | 178.8 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | R68 V69 Q74 R75 E76 | R68-V72 WeakPolarHBondContact O-CG2 3.26Å; R68-V72 PolarHBondContact O-N 3.47Å; V69-V72 PolarHBondContact O-N 3.46Å; V72-Q74 VanDerWaalsContact C-N 3.32Å; V72-Q74 PolarHBondContact O-N 3.3Å; V72-R75 WeakPolarHBondContact O-CB 3.45Å; V72-R75 PolarHBondContact O-N 3.47Å; V72-R75 VanDerWaalsContact O-N 3.13Å; V72-E76 HydrophobicContact CG1-CG 4.4Å; V72-E76 WeakPolarHBondContact CG1-OE1 3.41Å; V72-E76 WeakPolarHBondContact O-CG 3.5Å; V72-E76 PolarHBondContact O-N 3.2Å |
| 73 | S | 98.6 | Very high | 98.6 | Very high | 67 Ų | 67 | 103.2 Ų | 103.2 | 47% | 0.469 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 177.7 | 175.5 | 0 | 0 | 0 | 0 | 112.4 | V69 E76 A77 | V69-S73 WeakPolarHBondContact O-CB 3.34Å; V69-S73 PolarHBondContact O-N 3.07Å; S73-E76 PolarHBondContact O-N 3.35Å; S73-A77 WeakPolarHBondContact O-CB 3.4Å; S73-A77 PolarHBondContact O-N 3.33Å |
| 74 | Q | 98.8 | Very high | 98.6 | Very high | 128 Ų | 128 | 101 Ų | 101 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 175.8 | -175.2 | 177.8 | 23.4 | 0 | 0 | 111.8 | K70 R71 V72 A77 L78 | K70-Q74 VanDerWaalsContact O-CB 3.26Å; K70-Q74 WeakPolarHBondContact O-CB 3.35Å; K70-Q74 PolarHBondContact O-N 3.26Å; R71-Q74 PolarHBondContact O-N 2.92Å; V72-Q74 VanDerWaalsContact C-N 3.32Å; V72-Q74 PolarHBondContact O-N 3.3Å; Q74-A77 PolarHBondContact O-N 3.13Å; Q74-L78 HydrophobicContact CG-CD1 4.37Å; Q74-L78 WeakPolarHBondContact O-CG 3.45Å; Q74-L78 PolarHBondContact O-N 3.01Å; Q74-L78 VanDerWaalsContact O-N 3.07Å |
| 75 | R | 98.7 | Very high | 98.7 | Very high | 140 Ų | 140 | 104.5 Ų | 104.5 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 176.1 | -176.4 | -170.6 | 67.3 | 163.2 | 3.2 | 111.1 | R71 V72 A77 L78 E79 | R71-R75 PolarHBondContact O-N 2.98Å; V72-R75 WeakPolarHBondContact O-CB 3.45Å; V72-R75 PolarHBondContact O-N 3.47Å; V72-R75 VanDerWaalsContact O-N 3.13Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 2.94Å; R75-L78 PolarHBondContact O-N 2.92Å; R75-E79 WeakPolarHBondContact CD-OE1 3.37Å; R75-E79 HydrophobicContact CG-CG 4.48Å; R75-E79 WeakPolarHBondContact CG-OE1 3.46Å; R75-E79 IonicContact NE-OE1 3.61Å; R75-E79 WeakPolarHBondContact O-CG 3.41Å; R75-E79 PolarHBondContact O-N 3.49Å |
| 76 | E | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 106.5 Ų | 106.5 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 179.5 | -71.9 | 169.4 | 173.3 | 0 | 0 | 111.9 | V72 S73 L78 E79 Q80 | V72-E76 HydrophobicContact CG1-CG 4.4Å; V72-E76 WeakPolarHBondContact CG1-OE1 3.41Å; V72-E76 WeakPolarHBondContact O-CG 3.5Å; V72-E76 PolarHBondContact O-N 3.2Å; S73-E76 PolarHBondContact O-N 3.35Å; E76-L78 PolarHBondContact O-N 3.29Å; E76-E79 PolarHBondContact O-N 2.91Å; E76-Q80 WeakPolarHBondContact O-CB 3.38Å; E76-Q80 PolarHBondContact O-N 2.95Å |
| 77 | A | 98.8 | Very high | 98.7 | Very high | 52 Ų | 52 | 110.6 Ų | 110.6 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S73 Q74 R75 Q80 Q81 | S73-A77 WeakPolarHBondContact O-CB 3.4Å; S73-A77 PolarHBondContact O-N 3.33Å; Q74-A77 PolarHBondContact O-N 3.13Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 2.94Å; A77-Q80 PolarHBondContact O-N 3.45Å; A77-Q81 WeakPolarHBondContact O-CG 3.37Å; A77-Q81 PolarHBondContact O-N 3.4Å |
| 78 | L | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 111.4 Ų | 111.4 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 176.6 | -71.1 | 171.6 | 0 | 0 | 0 | 112.4 | Q74 R75 E76 Q80 Q81 K82 | Q74-L78 HydrophobicContact CG-CD1 4.37Å; Q74-L78 WeakPolarHBondContact O-CG 3.45Å; Q74-L78 PolarHBondContact O-N 3.01Å; Q74-L78 VanDerWaalsContact O-N 3.07Å; R75-L78 PolarHBondContact O-N 2.92Å; E76-L78 PolarHBondContact O-N 3.29Å; L78-Q80 VanDerWaalsContact C-N 3.31Å; L78-Q80 PolarHBondContact O-N 2.89Å; L78-Q81 PolarHBondContact O-N 2.95Å; L78-K82 WeakPolarHBondContact O-CB 3.4Å; L78-K82 PolarHBondContact O-N 3.44Å |
| 79 | E | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 107.5 Ų | 107.5 | 41% | 0.407 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 175.3 | -74.9 | 174.4 | -169.8 | 0 | 0 | 111.8 | R75 E76 K83 | R75-E79 WeakPolarHBondContact CD-OE1 3.37Å; R75-E79 HydrophobicContact CG-CG 4.48Å; R75-E79 WeakPolarHBondContact CG-OE1 3.46Å; R75-E79 IonicContact NE-OE1 3.61Å; R75-E79 WeakPolarHBondContact O-CG 3.41Å; R75-E79 PolarHBondContact O-N 3.49Å; E76-E79 PolarHBondContact O-N 2.91Å; E79-K83 WeakPolarHBondContact O-CG 3.47Å; E79-K83 PolarHBondContact O-N 3.4Å; E79-K83 VanDerWaalsContact O-N 3.1Å |
| 80 | Q | 98.8 | Very high | 98.7 | Very high | 81 Ų | 81 | 107.9 Ų | 107.9 | 38% | 0.379 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66 | -47.7 | 175 | -177.8 | 59.9 | 27.5 | 0 | 0 | 111.3 | E76 A77 L78 K82 K83 E84 | E76-Q80 WeakPolarHBondContact O-CB 3.38Å; E76-Q80 PolarHBondContact O-N 2.95Å; A77-Q80 PolarHBondContact O-N 3.45Å; L78-Q80 VanDerWaalsContact C-N 3.31Å; L78-Q80 PolarHBondContact O-N 2.89Å; Q80-K82 VanDerWaalsContact C-N 3.3Å; Q80-K82 PolarHBondContact O-N 2.91Å; Q80-K83 WeakPolarHBondContact O-CB 3.33Å; Q80-K83 PolarHBondContact O-N 2.94Å; Q80-K83 VanDerWaalsContact O-N 3.1Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.49Å; Q80-E84 PolarHBondContact NE2-OE1 3.37Å; Q80-E84 WeakPolarHBondContact O-CG 3.39Å; Q80-E84 PolarHBondContact O-N 3.26Å |
| 81 | Q | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 105.6 Ų | 105.6 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 175.7 | -74.9 | -176.3 | -37.4 | 0 | 0 | 112.1 | A77 L78 K83 E84 L85 | A77-Q81 WeakPolarHBondContact O-CG 3.37Å; A77-Q81 PolarHBondContact O-N 3.4Å; L78-Q81 PolarHBondContact O-N 2.95Å; Q81-K83 VanDerWaalsContact C-N 3.34Å; Q81-K83 PolarHBondContact O-N 3.49Å; Q81-E84 PolarHBondContact O-N 3.31Å; Q81-L85 WeakPolarHBondContact O-CB 3.48Å; Q81-L85 WeakPolarHBondContact O-CG 3.43Å; Q81-L85 PolarHBondContact O-N 3.44Å |
| 82 | K | 98.7 | Very high | 98.7 | Very high | 153 Ų | 153 | 101.7 Ų | 101.7 | 67% | 0.665 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.7 | -45.6 | 174.9 | -179.3 | -176 | 174.5 | -177.4 | 0 | 111.5 | L78 Q80 L85 Q86 | L78-K82 WeakPolarHBondContact O-CB 3.4Å; L78-K82 PolarHBondContact O-N 3.44Å; Q80-K82 VanDerWaalsContact C-N 3.3Å; Q80-K82 PolarHBondContact O-N 2.91Å; K82-L85 PolarHBondContact O-N 2.95Å; K82-Q86 WeakPolarHBondContact O-CB 3.33Å; K82-Q86 PolarHBondContact O-N 2.68Å |
| 83 | K | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 100.6 Ų | 100.6 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 178.8 | -73.2 | 171 | -175.9 | 171.5 | 0 | 111.8 | E79 Q80 Q81 Q86 R87 | E79-K83 WeakPolarHBondContact O-CG 3.47Å; E79-K83 PolarHBondContact O-N 3.4Å; E79-K83 VanDerWaalsContact O-N 3.1Å; Q80-K83 WeakPolarHBondContact O-CB 3.33Å; Q80-K83 PolarHBondContact O-N 2.94Å; Q80-K83 VanDerWaalsContact O-N 3.1Å; Q81-K83 VanDerWaalsContact C-N 3.34Å; Q81-K83 PolarHBondContact O-N 3.49Å; K83-Q86 PolarHBondContact O-N 2.93Å; K83-R87 WeakPolarHBondContact O-CG 3.35Å; K83-R87 PolarHBondContact O-N 3.43Å; K83-R87 VanDerWaalsContact O-N 3.09Å |
| 84 | E | 98.7 | Very high | 98.7 | Very high | 97 Ų | 97 | 102.7 Ų | 102.7 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -48.8 | 177.2 | -73.8 | 167.5 | -172 | 0 | 0 | 111.6 | Q80 Q81 Q86 R87 E88 | Q80-E84 WeakPolarHBondContact CG-OE1 3.49Å; Q80-E84 PolarHBondContact NE2-OE1 3.37Å; Q80-E84 WeakPolarHBondContact O-CG 3.39Å; Q80-E84 PolarHBondContact O-N 3.26Å; Q81-E84 PolarHBondContact O-N 3.31Å; E84-Q86 VanDerWaalsContact C-N 3.3Å; E84-Q86 PolarHBondContact O-N 2.95Å; E84-R87 PolarHBondContact O-N 3.1Å; E84-E88 PolarHBondContact O-N 2.92Å |
| 85 | L | 98.8 | Very high | 98.7 | Very high | 120 Ų | 120 | 100.7 Ų | 100.7 | 63% | 0.628 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.3 | -39.2 | 176.4 | -71 | 172.6 | 0 | 0 | 0 | 112.2 | Q81 K82 E88 V89 | Q81-L85 WeakPolarHBondContact O-CB 3.48Å; Q81-L85 WeakPolarHBondContact O-CG 3.43Å; Q81-L85 PolarHBondContact O-N 3.44Å; K82-L85 PolarHBondContact O-N 2.95Å; L85-E88 PolarHBondContact O-N 3.1Å; L85-V89 WeakPolarHBondContact O-CG2 3.43Å; L85-V89 PolarHBondContact O-N 3.19Å |
| 86 | Q | 98.7 | Very high | 98.7 | Very high | 98 Ų | 98 | 97.6 Ų | 97.6 | 46% | 0.458 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 177.2 | -173.8 | 64.7 | 30.8 | 0 | 0 | 111.7 | K82 K83 E84 E88 V89 E90 | K82-Q86 WeakPolarHBondContact O-CB 3.33Å; K82-Q86 PolarHBondContact O-N 2.68Å; K83-Q86 PolarHBondContact O-N 2.93Å; E84-Q86 VanDerWaalsContact C-N 3.3Å; E84-Q86 PolarHBondContact O-N 2.95Å; Q86-E88 VanDerWaalsContact C-N 3.3Å; Q86-E88 PolarHBondContact O-N 3.36Å; Q86-V89 PolarHBondContact O-N 3.01Å; Q86-E90 PolarHBondContact NE2-OE1 2.87Å; Q86-E90 WeakPolarHBondContact O-CG 3.24Å; Q86-E90 PolarHBondContact O-N 3.26Å |
| 87 | R | 98.8 | Very high | 98.7 | Very high | 150 Ų | 150 | 94.3 Ų | 94.3 | 57% | 0.566 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.1 | -39.3 | 175.4 | -70.4 | 171.4 | -172.1 | 151.8 | -0.3 | 111.8 | K83 E84 E90 R91 | K83-R87 WeakPolarHBondContact O-CG 3.35Å; K83-R87 PolarHBondContact O-N 3.43Å; K83-R87 VanDerWaalsContact O-N 3.09Å; E84-R87 PolarHBondContact O-N 3.1Å; R87-E90 PolarHBondContact O-N 3.39Å; R87-R91 WeakPolarHBondContact O-CB 3.29Å; R87-R91 PolarHBondContact O-N 2.8Å |
| 88 | E | 98.7 | Very high | 98.7 | Very high | 78 Ų | 78 | 93 Ų | 93 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 179.2 | -176.9 | 59.9 | -170.8 | 0 | 0 | 111.7 | E84 L85 Q86 E90 R91 L92 | E84-E88 PolarHBondContact O-N 2.92Å; L85-E88 PolarHBondContact O-N 3.1Å; Q86-E88 VanDerWaalsContact C-N 3.3Å; Q86-E88 PolarHBondContact O-N 3.36Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E88-E90 PolarHBondContact O-N 2.86Å; E88-R91 PolarHBondContact O-N 3.37Å; E88-R91 IonicContact OE1-CZ 3.61Å; E88-R91 IonicContact OE1-NE 3.63Å; E88-R91 IonicContact OE1-NH2 3.75Å; E88-R91 PolarHBondContact OE1-NH2 3.47Å; E88-R91 IonicContact OE2-CZ 3.56Å; E88-R91 IonicContact OE2-NE 3.52Å; E88-R91 PolarHBondContact OE2-NE 3.44Å; E88-R91 IonicContact OE2-NH2 2.58Å; E88-L92 HydrophobicContact CG-CD1 4.12Å; E88-L92 WeakPolarHBondContact O-CB 3.39Å; E88-L92 VanDerWaalsContact O-CG 3.29Å; E88-L92 WeakPolarHBondContact O-CG 3.41Å; E88-L92 PolarHBondContact O-N 3.04Å |
| 89 | V | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 93.3 Ų | 93.3 | 58% | 0.582 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.5 | -44.3 | 173 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | L85 Q86 G93 | L85-V89 WeakPolarHBondContact O-CG2 3.43Å; L85-V89 PolarHBondContact O-N 3.19Å; Q86-V89 PolarHBondContact O-N 3.01Å; V89-G93 PolarHBondContact O-N 2.58Å |
| 90 | E | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 96.6 Ų | 96.6 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 177.6 | -73.5 | 167.2 | -162.5 | 0 | 0 | 111.8 | Q86 R87 E88 G93 V94 | Q86-E90 PolarHBondContact NE2-OE1 2.87Å; Q86-E90 WeakPolarHBondContact O-CG 3.24Å; Q86-E90 PolarHBondContact O-N 3.26Å; R87-E90 PolarHBondContact O-N 3.39Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E88-E90 PolarHBondContact O-N 2.86Å; E90-G93 PolarHBondContact O-N 2.93Å; E90-V94 WeakPolarHBondContact O-CG2 3.35Å; E90-V94 PolarHBondContact O-N 3.34Å |
| 91 | R | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 101.1 Ų | 101.1 | 41% | 0.408 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.9 | -52.2 | 176.4 | -173.3 | -170.7 | 72.2 | 80.5 | 2.4 | 111.4 | R87 E88 G93 V94 E95 | R87-R91 WeakPolarHBondContact O-CB 3.29Å; R87-R91 PolarHBondContact O-N 2.8Å; E88-R91 PolarHBondContact O-N 3.37Å; E88-R91 IonicContact OE1-CZ 3.61Å; E88-R91 IonicContact OE1-NE 3.63Å; E88-R91 IonicContact OE1-NH2 3.75Å; E88-R91 PolarHBondContact OE1-NH2 3.47Å; E88-R91 IonicContact OE2-CZ 3.56Å; E88-R91 IonicContact OE2-NE 3.52Å; E88-R91 PolarHBondContact OE2-NE 3.44Å; E88-R91 IonicContact OE2-NH2 2.58Å; R91-G93 VanDerWaalsContact C-N 3.27Å; R91-G93 PolarHBondContact O-N 2.87Å; R91-V94 PolarHBondContact O-N 3.22Å; R91-E95 IonicContact CZ-OE1 2.86Å; R91-E95 IonicContact CZ-OE2 2.86Å; R91-E95 IonicContact NH1-OE1 2.68Å; R91-E95 PolarHBondContact NH1-OE1 2.88Å; R91-E95 IonicContact NH1-OE2 3.52Å; R91-E95 PolarHBondContact NH1-OE2 3.34Å; R91-E95 PolarHBondContact O-N 3.49Å |
| 92 | L | 98.7 | Very high | 98.6 | Very high | 81 Ų | 81 | 102.4 Ų | 102.4 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -34.8 | 177.9 | -70.8 | 174 | 0 | 0 | 0 | 111.9 | E88 E95 N96 | E88-L92 HydrophobicContact CG-CD1 4.12Å; E88-L92 WeakPolarHBondContact O-CB 3.39Å; E88-L92 VanDerWaalsContact O-CG 3.29Å; E88-L92 WeakPolarHBondContact O-CG 3.41Å; E88-L92 PolarHBondContact O-N 3.04Å; L92-E95 PolarHBondContact O-N 3.09Å; L92-N96 VanDerWaalsContact O-CB 3.24Å; L92-N96 WeakPolarHBondContact O-CB 3.42Å; L92-N96 PolarHBondContact O-N 2.86Å |
| 93 | G | 98.6 | Very high | 98.6 | Very high | 42 Ų | 42 | 100.9 Ų | 100.9 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V89 E90 R91 A97 | V89-G93 PolarHBondContact O-N 2.58Å; E90-G93 PolarHBondContact O-N 2.93Å; R91-G93 VanDerWaalsContact C-N 3.27Å; R91-G93 PolarHBondContact O-N 2.87Å; G93-A97 WeakPolarHBondContact O-CB 3.48Å; G93-A97 PolarHBondContact O-N 3.48Å |
| 94 | V | 98.6 | Very high | 98.5 | Very high | 110 Ų | 110 | 102.3 Ų | 102.3 | 67% | 0.667 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | E90 R91 A97 G98 | E90-V94 WeakPolarHBondContact O-CG2 3.35Å; E90-V94 PolarHBondContact O-N 3.34Å; R91-V94 PolarHBondContact O-N 3.22Å; V94-A97 PolarHBondContact O-N 2.93Å; V94-G98 PolarHBondContact O-N 3.2Å |
| 95 | E | 98.6 | Very high | 98.5 | Very high | 86 Ų | 86 | 99.3 Ų | 99.3 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 178 | -75.3 | 170.2 | -162.4 | 0 | 0 | 112.1 | R91 L92 A97 G98 M99 | R91-E95 IonicContact CZ-OE1 2.86Å; R91-E95 IonicContact CZ-OE2 2.86Å; R91-E95 IonicContact NH1-OE1 2.68Å; R91-E95 PolarHBondContact NH1-OE1 2.88Å; R91-E95 IonicContact NH1-OE2 3.52Å; R91-E95 PolarHBondContact NH1-OE2 3.34Å; R91-E95 PolarHBondContact O-N 3.49Å; L92-E95 PolarHBondContact O-N 3.09Å; E95-A97 PolarHBondContact O-N 2.95Å; E95-G98 PolarHBondContact O-N 3.27Å; E95-M99 WeakPolarHBondContact O-CG 3.44Å; E95-M99 PolarHBondContact O-N 3.37Å |
| 96 | N | 98.6 | Very high | 98.4 | Very high | 75 Ų | 75 | 98.7 Ų | 98.7 | 40% | 0.401 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 177.2 | -162.7 | -50.1 | 0 | 0 | 0 | 111.6 | L92 G98 M99 R100 | L92-N96 VanDerWaalsContact O-CB 3.24Å; L92-N96 WeakPolarHBondContact O-CB 3.42Å; L92-N96 PolarHBondContact O-N 2.86Å; N96-G98 VanDerWaalsContact C-N 3.3Å; N96-G98 PolarHBondContact O-N 3.43Å; N96-M99 PolarHBondContact O-N 3.19Å; N96-R100 WeakPolarHBondContact O-CB 3.3Å; N96-R100 VanDerWaalsContact O-CG 3.3Å; N96-R100 WeakPolarHBondContact O-CG 3.43Å; N96-R100 PolarHBondContact O-N 3.19Å; N96-R100 WeakPolarHBondContact OD1-CD 3.46Å; N96-R100 PolarHBondContact OD1-NE 2.91Å |
| 97 | A | 98.4 | Very high | 98.4 | Very high | 36 Ų | 36 | 95.9 Ų | 95.9 | 30% | 0.298 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G93 V94 E95 R101 | G93-A97 WeakPolarHBondContact O-CB 3.48Å; G93-A97 PolarHBondContact O-N 3.48Å; V94-A97 PolarHBondContact O-N 2.93Å; E95-A97 PolarHBondContact O-N 2.95Å; A97-R101 WeakPolarHBondContact O-CG 3.39Å; A97-R101 PolarHBondContact O-N 3.04Å |
| 98 | G | 98.6 | Very high | 98.3 | Very high | 23 Ų | 23 | 91.8 Ų | 91.8 | 24% | 0.237 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -59.3 | -55.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V94 E95 N96 R100 R101 E102 | V94-G98 PolarHBondContact O-N 3.2Å; E95-G98 PolarHBondContact O-N 3.27Å; N96-G98 VanDerWaalsContact C-N 3.3Å; N96-G98 PolarHBondContact O-N 3.43Å; G98-R100 VanDerWaalsContact C-N 3.27Å; G98-R100 PolarHBondContact O-N 2.96Å; G98-R101 PolarHBondContact O-N 3.37Å; G98-R101 VanDerWaalsContact O-N 3.09Å; G98-E102 PolarHBondContact O-N 3.39Å; G98-E102 VanDerWaalsContact O-N 3.07Å |
| 99 | M | 98.4 | Very high | 98.3 | Very high | 106 Ų | 106 | 96.8 Ų | 96.8 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.4 | -38 | 179.2 | -69.8 | -172.4 | -71.2 | 0 | 0 | 112.7 | E95 N96 E102 L103 | E95-M99 WeakPolarHBondContact O-CG 3.44Å; E95-M99 PolarHBondContact O-N 3.37Å; N96-M99 PolarHBondContact O-N 3.19Å; M99-E102 PolarHBondContact O-N 2.88Å; M99-L103 WeakPolarHBondContact O-CG 3.5Å; M99-L103 PolarHBondContact O-N 3.32Å |
| 100 | R | 98.3 | Very high | 98.2 | Very high | 155 Ų | 155 | 97 Ų | 97 | 59% | 0.585 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 175.9 | -76.6 | 174.6 | 174.7 | -85.6 | -0.6 | 112.5 | N96 G98 E102 L103 E104 | N96-R100 WeakPolarHBondContact O-CB 3.3Å; N96-R100 VanDerWaalsContact O-CG 3.3Å; N96-R100 WeakPolarHBondContact O-CG 3.43Å; N96-R100 PolarHBondContact O-N 3.19Å; N96-R100 WeakPolarHBondContact OD1-CD 3.46Å; N96-R100 PolarHBondContact OD1-NE 2.91Å; G98-R100 VanDerWaalsContact C-N 3.27Å; G98-R100 PolarHBondContact O-N 2.96Å; R100-E102 VanDerWaalsContact C-N 3.32Å; R100-E102 PolarHBondContact O-N 3.35Å; R100-L103 PolarHBondContact O-N 3.02Å; R100-E104 PolarHBondContact O-N 3.03Å |
| 101 | R | 98.3 | Very high | 98.1 | Very high | 177 Ų | 177 | 93.1 Ų | 93.1 | 67% | 0.668 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.9 | -39.1 | 176 | -69.8 | -178.4 | -163.5 | 124.9 | 0.6 | 111.9 | A97 G98 E104 G105 | A97-R101 WeakPolarHBondContact O-CG 3.39Å; A97-R101 PolarHBondContact O-N 3.04Å; G98-R101 PolarHBondContact O-N 3.37Å; G98-R101 VanDerWaalsContact O-N 3.09Å; R101-E104 PolarHBondContact O-N 3.49Å; R101-G105 PolarHBondContact O-N 3.25Å |
| 102 | E | 98.1 | Very high | 98 | Very high | 136 Ų | 136 | 90.7 Ų | 90.7 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 175.7 | -70.4 | 179.3 | -165.9 | 0 | 0 | 111.5 | G98 M99 R100 G105 L106 | G98-E102 PolarHBondContact O-N 3.39Å; G98-E102 VanDerWaalsContact O-N 3.07Å; M99-E102 PolarHBondContact O-N 2.88Å; R100-E102 VanDerWaalsContact C-N 3.32Å; R100-E102 PolarHBondContact O-N 3.35Å; E102-G105 PolarHBondContact O-N 2.91Å; E102-L106 WeakPolarHBondContact O-CG 3.48Å; E102-L106 PolarHBondContact O-N 3.45Å |
| 103 | L | 98.3 | Very high | 97.9 | Very high | 120 Ų | 120 | 92.6 Ų | 92.6 | 63% | 0.628 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.5 | -44.8 | 175.3 | -75.7 | 173.1 | 0 | 0 | 0 | 112.3 | M99 R100 L106 G107 | M99-L103 WeakPolarHBondContact O-CG 3.5Å; M99-L103 PolarHBondContact O-N 3.32Å; R100-L103 PolarHBondContact O-N 3.02Å; L103-L106 PolarHBondContact O-N 2.86Å; L103-G107 PolarHBondContact O-N 3.45Å |
| 104 | E | 97.8 | Very high | 97.7 | Very high | 144 Ų | 144 | 95.5 Ų | 95.5 | 67% | 0.673 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -44.9 | 174.3 | -80.5 | 177.8 | -162.4 | 0 | 0 | 111.7 | R100 R101 L106 G107 A108 | R100-E104 PolarHBondContact O-N 3.03Å; R101-E104 PolarHBondContact O-N 3.49Å; E104-L106 PolarHBondContact O-N 3.42Å; E104-G107 PolarHBondContact O-N 2.94Å; E104-A108 WeakPolarHBondContact O-CB 3.34Å; E104-A108 PolarHBondContact O-N 3.07Å |
| 105 | G | 98 | Very high | 97.5 | Very high | 33 Ų | 33 | 99.5 Ų | 99.5 | 34% | 0.34 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R101 E102 R109 | R101-G105 PolarHBondContact O-N 3.25Å; E102-G105 PolarHBondContact O-N 2.91Å; G105-R109 WeakPolarHBondContact O-CG 3.39Å; G105-R109 PolarHBondContact O-N 2.89Å; G105-R109 VanDerWaalsContact O-N 3.14Å |
| 106 | L | 97.8 | Very high | 97.2 | Very high | 108 Ų | 108 | 102 Ų | 102 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -43.2 | 175.1 | -70.3 | 174.1 | 0 | 0 | 0 | 111.6 | E102 L103 E104 A108 R109 L110 | E102-L106 WeakPolarHBondContact O-CG 3.48Å; E102-L106 PolarHBondContact O-N 3.45Å; L103-L106 PolarHBondContact O-N 2.86Å; E104-L106 PolarHBondContact O-N 3.42Å; L106-A108 VanDerWaalsContact C-N 3.34Å; L106-A108 PolarHBondContact O-N 3.09Å; L106-R109 PolarHBondContact O-N 3.43Å; L106-L110 WeakPolarHBondContact O-CB 3.43Å; L106-L110 PolarHBondContact O-N 3.49Å |
| 107 | G | 97.9 | Very high | 97 | Very high | 39 Ų | 39 | 100.5 Ų | 100.5 | 40% | 0.402 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L103 E104 L110 A111 | L103-G107 PolarHBondContact O-N 3.45Å; E104-G107 PolarHBondContact O-N 2.94Å; G107-L110 PolarHBondContact O-N 2.89Å; G107-A111 WeakPolarHBondContact O-CB 3.44Å; G107-A111 PolarHBondContact O-N 3.32Å |
| 108 | A | 97.5 | Very high | 96.7 | Very high | 64 Ų | 64 | 107 Ų | 107 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E104 L106 A111 A112 | E104-A108 WeakPolarHBondContact O-CB 3.34Å; E104-A108 PolarHBondContact O-N 3.07Å; L106-A108 VanDerWaalsContact C-N 3.34Å; L106-A108 PolarHBondContact O-N 3.09Å; A108-A111 PolarHBondContact O-N 2.99Å; A108-A112 WeakPolarHBondContact O-CB 3.49Å; A108-A112 PolarHBondContact O-N 3.31Å |
| 109 | R | 97 | Very high | 96 | Very high | 182 Ų | 182 | 108.1 Ų | 108.1 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.8 | -45.4 | 176 | -71.3 | 174.6 | -173.4 | -162.7 | 2.9 | 111.7 | G105 L106 A112 L113 | G105-R109 WeakPolarHBondContact O-CG 3.39Å; G105-R109 PolarHBondContact O-N 2.89Å; G105-R109 VanDerWaalsContact O-N 3.14Å; L106-R109 PolarHBondContact O-N 3.43Å; R109-A112 PolarHBondContact O-N 2.9Å; R109-L113 WeakPolarHBondContact O-CG 3.34Å; R109-L113 PolarHBondContact O-N 3.46Å |
| 110 | L | 97.7 | Very high | 95.3 | Very high | 100 Ų | 100 | 108 Ų | 108 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 177.6 | -179.2 | 138.5 | 0 | 0 | 0 | 111.4 | L106 G107 A112 L113 Q114 | L106-L110 WeakPolarHBondContact O-CB 3.43Å; L106-L110 PolarHBondContact O-N 3.49Å; G107-L110 PolarHBondContact O-N 2.89Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 3.4Å; L110-L113 PolarHBondContact O-N 2.98Å; L110-Q114 HydrophobicContact CD2-CG 4.32Å; L110-Q114 WeakPolarHBondContact O-CG 3.28Å; L110-Q114 PolarHBondContact O-N 3.35Å |
| 111 | A | 96.7 | Very high | 94.3 | Very high | 30 Ų | 30 | 108.2 Ų | 108.2 | 25% | 0.248 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -61.9 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | G107 A108 Q114 R115 | G107-A111 WeakPolarHBondContact O-CB 3.44Å; G107-A111 PolarHBondContact O-N 3.32Å; A108-A111 PolarHBondContact O-N 2.99Å; A111-Q114 PolarHBondContact O-N 2.98Å; A111-R115 VanDerWaalsContact O-CG 3.28Å; A111-R115 WeakPolarHBondContact O-CG 3.49Å; A111-R115 PolarHBondContact O-N 3.43Å |
| 112 | A | 96.1 | Very high | 92.9 | Very high | 57 Ų | 57 | 105.2 Ų | 105.2 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.9 | -45.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A108 R109 L110 R115 F116 | A108-A112 WeakPolarHBondContact O-CB 3.49Å; A108-A112 PolarHBondContact O-N 3.31Å; R109-A112 PolarHBondContact O-N 2.9Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 3.4Å; A112-R115 PolarHBondContact O-N 2.91Å; A112-F116 PolarHBondContact O-N 3.29Å |
| 113 | L | 96.2 | Very high | 90.9 | Very high | 122 Ų | 122 | 100.7 Ų | 100.7 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.2 | -41.6 | 176.3 | -70.6 | 172.9 | 0 | 0 | 0 | 112.1 | R109 L110 F116 A117 | R109-L113 WeakPolarHBondContact O-CG 3.34Å; R109-L113 PolarHBondContact O-N 3.46Å; L110-L113 PolarHBondContact O-N 2.98Å; L113-F116 WeakPolarHBondContact O-CB 3.49Å; L113-F116 PolarHBondContact O-N 3.13Å; L113-A117 WeakPolarHBondContact O-CB 3.35Å; L113-A117 PolarHBondContact O-N 2.98Å |
| 114 | Q | 95.6 | Very high | 88.6 | Confident | 102 Ų | 102 | 98.2 Ų | 98.2 | 48% | 0.477 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.8 | -41.3 | 176.2 | -74.5 | 177.4 | -20.9 | 0 | 0 | 112.4 | L110 A111 F116 A117 R118 | L110-Q114 HydrophobicContact CD2-CG 4.32Å; L110-Q114 WeakPolarHBondContact O-CG 3.28Å; L110-Q114 PolarHBondContact O-N 3.35Å; A111-Q114 PolarHBondContact O-N 2.98Å; Q114-F116 VanDerWaalsContact C-N 3.34Å; Q114-A117 PolarHBondContact O-N 3.03Å; Q114-R118 WeakPolarHBondContact O-CG 3.37Å; Q114-R118 PolarHBondContact O-N 2.98Å |
| 115 | R | 94.4 | Very high | 86.5 | Confident | 194 Ų | 194 | 95.4 Ų | 95.4 | 73% | 0.732 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.2 | -43.4 | 174.5 | -72 | 173.7 | -165.5 | -177 | 4.4 | 111.3 | A111 A112 R118 G119 | A111-R115 VanDerWaalsContact O-CG 3.28Å; A111-R115 WeakPolarHBondContact O-CG 3.49Å; A111-R115 PolarHBondContact O-N 3.43Å; A112-R115 PolarHBondContact O-N 2.91Å; R115-R118 PolarHBondContact O-N 3.43Å; R115-G119 PolarHBondContact O-N 3.14Å |
| 116 | F | 92.4 | Very high | 84.2 | Confident | 138 Ų | 138 | 101 Ų | 101 | 61% | 0.605 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60 | -50.7 | 176.1 | 177.3 | -103.7 | 0 | 0 | 0 | 111.4 | A112 L113 Q114 R118 G119 L120 | A112-F116 PolarHBondContact O-N 3.29Å; L113-F116 WeakPolarHBondContact O-CB 3.49Å; L113-F116 PolarHBondContact O-N 3.13Å; Q114-F116 VanDerWaalsContact C-N 3.34Å; F116-R118 PolarHBondContact O-N 2.93Å; F116-G119 PolarHBondContact O-N 3.19Å; F116-G119 VanDerWaalsContact O-N 3.13Å; F116-L120 HydrophobicContact CD1-CD1 4.18Å; F116-L120 HydrophobicContact CE1-CD1 3.66Å; F116-L120 HydrophobicContact CE1-CG 4.36Å; F116-L120 HydrophobicContact CZ-CD1 4Å; F116-L120 HydrophobicContact CZ-CD2 4.32Å; F116-L120 HydrophobicContact CZ-CG 4.37Å; F116-L120 PolarHBondContact O-N 3.13Å; F116-L120 VanDerWaalsContact O-N 3.13Å |
| 117 | A | 93.3 | Very high | 82.1 | Confident | 45 Ų | 45 | 102.6 Ų | 102.6 | 37% | 0.372 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.4 | -45.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L113 Q114 G119 L120 E121 | L113-A117 WeakPolarHBondContact O-CB 3.35Å; L113-A117 PolarHBondContact O-N 2.98Å; Q114-A117 PolarHBondContact O-N 3.03Å; A117-G119 VanDerWaalsContact C-N 3.3Å; A117-G119 PolarHBondContact O-N 3.43Å; A117-L120 WeakPolarHBondContact O-CB 3.43Å; A117-L120 PolarHBondContact O-N 3.29Å; A117-L120 VanDerWaalsContact O-N 3.11Å; A117-E121 PolarHBondContact O-N 3.38Å; A117-E121 VanDerWaalsContact O-N 3.13Å |
| 118 | R | 91.8 | Very high | 79.8 | Confident | 172 Ų | 172 | 109.2 Ų | 109.2 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.9 | -35.6 | 175.5 | -75.2 | -177.5 | -176.3 | 175.2 | 2.1 | 113.3 | Q114 R115 F116 L120 E121 S122 | Q114-R118 WeakPolarHBondContact O-CG 3.37Å; Q114-R118 PolarHBondContact O-N 2.98Å; R115-R118 PolarHBondContact O-N 3.43Å; F116-R118 PolarHBondContact O-N 2.93Å; R118-L120 VanDerWaalsContact C-N 3.26Å; R118-L120 PolarHBondContact O-N 3.24Å; R118-E121 PolarHBondContact O-N 3.11Å; R118-S122 PolarHBondContact O-N 3.45Å; R118-S122 PolarHBondContact O-OG 3.15Å |
| 119 | G | 84.8 | Confident | 77.7 | Confident | 46 Ų | 46 | 110.1 Ų | 110.1 | 47% | 0.474 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.6 | -36.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R115 F116 A117 G123 | R115-G119 PolarHBondContact O-N 3.14Å; F116-G119 PolarHBondContact O-N 3.19Å; F116-G119 VanDerWaalsContact O-N 3.13Å; A117-G119 VanDerWaalsContact C-N 3.3Å; A117-G119 PolarHBondContact O-N 3.43Å; G119-G123 PolarHBondContact O-N 3.13Å; G119-G123 VanDerWaalsContact O-N 3.15Å |
| 120 | L | 84.3 | Confident | 75.7 | Confident | 105 Ų | 105 | 107.4 Ų | 107.4 | 55% | 0.55 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.8 | -36.1 | 172.9 | -61.1 | 174.5 | 0 | 0 | 0 | 112.3 | F116 A117 R118 | F116-L120 HydrophobicContact CD1-CD1 4.18Å; F116-L120 HydrophobicContact CE1-CD1 3.66Å; F116-L120 HydrophobicContact CE1-CG 4.36Å; F116-L120 HydrophobicContact CZ-CD1 4Å; F116-L120 HydrophobicContact CZ-CD2 4.32Å; F116-L120 HydrophobicContact CZ-CG 4.37Å; F116-L120 PolarHBondContact O-N 3.13Å; F116-L120 VanDerWaalsContact O-N 3.13Å; A117-L120 WeakPolarHBondContact O-CB 3.43Å; A117-L120 PolarHBondContact O-N 3.29Å; A117-L120 VanDerWaalsContact O-N 3.11Å; R118-L120 VanDerWaalsContact C-N 3.26Å; R118-L120 PolarHBondContact O-N 3.24Å |
| 121 | E | 77.1 | Confident | 73.4 | Confident | 159 Ų | 159 | 106.9 Ų | 106.9 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76.4 | -37.4 | -179.9 | -68 | 178.4 | 162.5 | 0 | 0 | 113.4 | A117 R118 | A117-E121 PolarHBondContact O-N 3.38Å; A117-E121 VanDerWaalsContact O-N 3.13Å; R118-E121 PolarHBondContact O-N 3.11Å |
| 122 | S | 68.3 | Low | 71.2 | Confident | 113 Ų | 113 | 110.8 Ų | 110.8 | 79% | 0.79 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -83.6 | -18.1 | 179.3 | -63.9 | 0 | 0 | 0 | 0 | 113.6 | R118 | R118-S122 PolarHBondContact O-N 3.45Å; R118-S122 PolarHBondContact O-OG 3.15Å |
| 123 | G | 56.1 | Low | 69.4 | Low | 42 Ų | 42 | 119.4 Ų | 119.4 | 43% | 0.433 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -99.2 | 76.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G119 G125 | G119-G123 PolarHBondContact O-N 3.13Å; G119-G123 VanDerWaalsContact O-N 3.15Å; G123-G125 PolarHBondContact O-N 3.06Å |
| 124 | G | 50.3 | Low | 67.5 | Low | 67 Ų | 67 | 120.8 Ų | 120.8 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | trans | -50.5 | 121.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N126 | G124-N126 PolarHBondContact O-N 3.21Š| ||
| 125 | G | 52.5 | Low | 65.7 | Low | 85 Ų | 85 | 122.9 Ų | 122.9 | 88% | 0.876 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 70.8 | 4.7 | 143 | 0 | 0 | 0 | 0 | 0 | 120.5 | G123 | G123-G125 PolarHBondContact O-N 3.06Š|
| 126 | N | 51.4 | Low | 64 | Low | 151 Ų | 151 | 119.1 Ų | 119.1 | 81% | 0.807 | 70% | 0.702 | S | S | * | * | trans | -137.2 | 27.5 | -176.2 | -151.8 | 35.1 | 0 | 0 | 0 | 117.9 | G124 | G124-N126 PolarHBondContact O-N 3.21Š| ||
| 127 | I | 52.7 | Low | 62.1 | Low | 142 Ų | 142 | 116.6 Ų | 116.6 | 73% | 0.728 | 71% | 0.706 | S | S | * | * | trans | -116 | 49.1 | 168.2 | -43.6 | -169.9 | 0 | 0 | 0 | 111 | A129 | I127-A129 VanDerWaalsContact C-N 3.28Š| ||
| 128 | L | 50.3 | Low | 60.3 | Low | 178 Ų | 178 | 119 Ų | 119 | 93% | 0.932 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -87.3 | 3.6 | 162.8 | -167.7 | 56.2 | 0 | 0 | 0 | 112.4 | ||
| 129 | A | 53.9 | Low | 58.9 | Low | 83 Ų | 83 | 116.8 Ų | 116.8 | 69% | 0.686 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -139.1 | 72.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I127 | I127-A129 VanDerWaalsContact C-N 3.28Š|
| 130 | T | 53 | Low | 57.7 | Low | 124 Ų | 124 | 121.4 Ų | 121.4 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | trans | 169.8 | 81.9 | 139.5 | 31.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 131 | A | 49.8 | Very low | 56.4 | Low | 89 Ų | 89 | 121.7 Ų | 121.7 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -57.8 | 126.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108 | R133 | A131-R133 PolarHBondContact O-N 2.85Š| ||
| 132 | P | 51 | Low | 55.6 | Low | 113 Ų | 113 | 121.2 Ų | 121.2 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | -67.4 | 112.1 | 166.9 | 27.1 | -26.5 | 0 | 0 | 0 | 105.7 | L134 | P132-L134 VanDerWaalsContact C-N 3.27Å; P132-L134 PolarHBondContact O-N 3.04Å | ||
| 133 | R | 58.7 | Low | 55.4 | Low | 238 Ų | 238 | 121.2 Ų | 121.2 | 90% | 0.898 | 74% | 0.741 | S | S | * | * | trans | -62.9 | 96.7 | 167.9 | -72.6 | -160.1 | 170.3 | -134.2 | -0.7 | 107.1 | A131 N135 | A131-R133 PolarHBondContact O-N 2.85Å; R133-N135 VanDerWaalsContact C-N 3.26Å; R133-N135 PolarHBondContact O-N 2.95Å | ||
| 134 | L | 55.3 | Low | 55.9 | Low | 151 Ų | 151 | 128.6 Ų | 128.6 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -66.1 | 96.1 | 161.2 | -69.5 | 172.1 | 0 | 0 | 0 | 106.3 | P132 T136 | P132-L134 VanDerWaalsContact C-N 3.27Å; P132-L134 PolarHBondContact O-N 3.04Å; L134-T136 PolarHBondContact O-N 2.8Å | ||
| 135 | N | 59.3 | Low | 56.9 | Low | 145 Ų | 145 | 130.9 Ų | 130.9 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -70.2 | 76.9 | 165.4 | 56.4 | -10.4 | 0 | 0 | 0 | 108.4 | R133 A137 | R133-N135 VanDerWaalsContact C-N 3.26Å; R133-N135 PolarHBondContact O-N 2.95Å; N135-A137 PolarHBondContact O-N 2.93Å | ||
| 136 | T | 57.5 | Low | 57.9 | Low | 116 Ų | 116 | 131.9 Ų | 131.9 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | trans | -72.5 | 75.1 | 165.4 | -49.6 | 0 | 0 | 0 | 0 | 108.3 | L134 S138 | L134-T136 PolarHBondContact O-N 2.8Å; T136-S138 VanDerWaalsContact C-N 3.28Å; T136-S138 PolarHBondContact O-N 3.03Å | ||
| 137 | A | 52.1 | Low | 58.4 | Low | 84 Ų | 84 | 130.8 Ų | 130.8 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | trans | -73.1 | 87.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | N135 V139 | N135-A137 PolarHBondContact O-N 2.93Å; A137-V139 PolarHBondContact O-N 3.14Å; A137-V139 VanDerWaalsContact O-N 3.1Å | ||
| 138 | S | 55.7 | Low | 58.6 | Low | 96 Ų | 96 | 133.2 Ų | 133.2 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | -68.1 | 103.6 | 165.8 | -66 | 0 | 0 | 0 | 0 | 108 | T136 I140 | T136-S138 VanDerWaalsContact C-N 3.28Å; T136-S138 PolarHBondContact O-N 3.03Å; S138-I140 PolarHBondContact O-N 3.4Å; S138-I140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | V | 63.8 | Low | 59 | Low | 125 Ų | 125 | 129.1 Ų | 129.1 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | trans | -67 | 107.8 | 171.2 | 175.6 | 0 | 0 | 0 | 0 | 107.8 | A137 T141 | A137-V139 PolarHBondContact O-N 3.14Å; A137-V139 VanDerWaalsContact O-N 3.1Å; V139-T141 PolarHBondContact O-N 3.1Å | ||
| 140 | I | 58.9 | Low | 59.1 | Low | 143 Ų | 143 | 133.4 Ų | 133.4 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -86 | 100.4 | 170.4 | -57.5 | 175.4 | 0 | 0 | 0 | 107 | S138 I142 | S138-I140 PolarHBondContact O-N 3.4Å; S138-I140 VanDerWaalsContact O-N 3.14Å; I140-I142 HydrophobicContact CG2-CG1 4.04Å; I140-I142 PolarHBondContact O-N 3.12Å; I140-I142 VanDerWaalsContact O-N 3.12Å | ||
| 141 | T | 56.6 | Low | 59.2 | Low | 112 Ų | 112 | 133.7 Ų | 133.7 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | -74.7 | 98.6 | 170.4 | -45.3 | 0 | 0 | 0 | 0 | 108.5 | V139 V143 | V139-T141 PolarHBondContact O-N 3.1Å; T141-V143 HydrophobicContact CG2-CG2 4.16Å; T141-V143 PolarHBondContact O-N 3.12Å; T141-V143 VanDerWaalsContact O-N 3.12Å | ||
| 142 | I | 61.2 | Low | 59.4 | Low | 148 Ų | 148 | 137.3 Ų | 137.3 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -77.3 | 95.9 | 168.7 | -57.1 | 176.9 | 0 | 0 | 0 | 107.2 | I140 K144 | I140-I142 HydrophobicContact CG2-CG1 4.04Å; I140-I142 PolarHBondContact O-N 3.12Å; I140-I142 VanDerWaalsContact O-N 3.12Å; I142-K144 PolarHBondContact O-N 3.08Å | ||
| 143 | V | 62.7 | Low | 59.3 | Low | 114 Ų | 114 | 143.4 Ų | 143.4 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -72.2 | 106.4 | 168.6 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | T141 T145 | T141-V143 HydrophobicContact CG2-CG2 4.16Å; T141-V143 PolarHBondContact O-N 3.12Å; T141-V143 VanDerWaalsContact O-N 3.12Å; V143-T145 PolarHBondContact O-N 3.18Å; V143-T145 VanDerWaalsContact O-N 3.08Å | ||
| 144 | K | 67.4 | Low | 59 | Low | 196 Ų | 196 | 141 Ų | 141 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -70.7 | 100.5 | 172.7 | -175.1 | 156.6 | -177.8 | 162.7 | 0 | 108.6 | I142 | I142-K144 PolarHBondContact O-N 3.08Š| ||
| 145 | T | 72.3 | Confident | 58.8 | Low | 115 Ų | 115 | 143.1 Ų | 143.1 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.1 | 171.2 | 35.7 | 0 | 0 | 0 | 0 | 109.8 | V143 | V143-T145 PolarHBondContact O-N 3.18Å; V143-T145 VanDerWaalsContact O-N 3.08Å |
| 146 | P | 72.6 | Confident | 58.1 | Low | 107 Ų | 107 | 140.2 Ų | 140.2 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 150.5 | 172.2 | 27.4 | -32.1 | 0 | 0 | 0 | 110.1 | Q148 | P146-Q148 PolarHBondContact O-N 3.4Š|
| 147 | P | 60.8 | Low | 57.7 | Low | 127 Ų | 127 | 138 Ų | 138 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 125.4 | -179.4 | 25.9 | -32.2 | 0 | 0 | 0 | 110.1 | A149 | P147-A149 PolarHBondContact O-N 3.15Š|
| 148 | Q | 58.9 | Low | 57.7 | Low | 194 Ų | 194 | 143.6 Ų | 143.6 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 124.1 | 170.4 | -79.3 | -165 | -20.8 | 0 | 0 | 109.3 | P146 H150 | P146-Q148 PolarHBondContact O-N 3.4Å; Q148-H150 PolarHBondContact O-N 3.29Å |
| 149 | A | 57.5 | Low | 57.8 | Low | 92 Ų | 92 | 146 Ų | 146 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 119.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109 | P147 V151 | P147-A149 PolarHBondContact O-N 3.15Å; A149-V151 PolarHBondContact O-N 3.28Å; A149-V151 VanDerWaalsContact O-N 3.15Å |
| 150 | H | 56 | Low | 57.5 | Low | 172 Ų | 172 | 147.1 Ų | 147.1 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | trans | -74.9 | 99.8 | 177.3 | -160.3 | -72.6 | 0 | 0 | 0 | 108.9 | Q148 Q152 | Q148-H150 PolarHBondContact O-N 3.29Å; H150-Q152 PolarHBondContact O-N 3.27Å | ||
| 151 | V | 55.9 | Low | 57.4 | Low | 131 Ų | 131 | 147.3 Ų | 147.3 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -76 | 110.1 | 169.8 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | A149 R153 | A149-V151 PolarHBondContact O-N 3.28Å; A149-V151 VanDerWaalsContact O-N 3.15Å; V151-R153 PolarHBondContact O-N 3.28Å | ||
| 152 | Q | 52.5 | Low | 57.4 | Low | 165 Ų | 165 | 149.4 Ų | 149.4 | 77% | 0.771 | 84% | 0.838 | S | S | * | * | trans | -63.9 | 118 | 170.2 | -70.4 | 177.9 | -11.3 | 0 | 0 | 108.6 | H150 E154 | H150-Q152 PolarHBondContact O-N 3.27Å; Q152-E154 PolarHBondContact O-N 3.28Å | ||
| 153 | R | 50.7 | Low | 57.2 | Low | 241 Ų | 241 | 149.5 Ų | 149.5 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | trans | -69.4 | 111 | 162.5 | -94 | -174.2 | 179 | 178.2 | -0.1 | 107.5 | V151 Q155 | V151-R153 PolarHBondContact O-N 3.28Å; R153-Q155 PolarHBondContact O-N 3.37Å | ||
| 154 | E | 51.3 | Low | 56.8 | Low | 188 Ų | 188 | 151.9 Ų | 151.9 | 88% | 0.879 | 85% | 0.853 | S | S | * | * | trans | -63.8 | 125.1 | 161.2 | -69.6 | -162.5 | 128.8 | 0 | 0 | 109.3 | Q152 | Q152-E154 PolarHBondContact O-N 3.28Š| ||
| 155 | Q | 51.6 | Low | 56.1 | Low | 195 Ų | 195 | 148.7 Ų | 148.7 | 91% | 0.911 | 85% | 0.853 | S | S | * | * | trans | -80.3 | 112 | 163.2 | -66.8 | -175.7 | 18.1 | 0 | 0 | 107.3 | R153 | R153-Q155 PolarHBondContact O-N 3.37Š| ||
| 156 | G | 43.9 | Very low | 54.8 | Low | 83 Ų | 83 | 151.3 Ų | 151.3 | 86% | 0.856 | 86% | 0.864 | S | S | * | * | trans | -117.6 | 86.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 157 | G | 50.4 | Low | 53.3 | Low | 70 Ų | 70 | 155 Ų | 155 | 72% | 0.722 | 88% | 0.878 | S | S | * | * | trans | -112.1 | 110.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 158 | S | 50.6 | Low | 52.7 | Low | 202 Ų | 202 | 157.5 Ų | 157.5 | 100% | 1.413 | 88% | 0.883 | S | S | * | * | trans | -172.2 | 0 | 143.3 | -76.5 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 158 of 158 residues in 1039.9 ms
(Link to these results)