| 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 | 38.9 | Very low | 47.6 | Very low | 247 Ų | 247 | 162.5 Ų | 162.5 | 100% | 1.217 | 86% | 0.859 | S | S | * | * | 0 | 116.9 | 0 | -72.6 | -67.3 | 164.7 | 0 | 0 | 107.1 | |||||
| 2 | T | 40.9 | Very low | 47.7 | Very low | 130 Ų | 130 | 159.3 Ų | 159.3 | 80% | 0.798 | 85% | 0.851 | S | S | * | * | trans | -79 | 170.8 | -168.6 | 43 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3 | S | 37.6 | Very low | 48.2 | Very low | 99 Ų | 99 | 160 Ų | 160 | 69% | 0.692 | 84% | 0.842 | S | S | * | * | trans | 82.6 | 136.9 | 149.2 | -89.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 4 | E | 40.4 | Very low | 48.5 | Very low | 178 Ų | 178 | 165 Ų | 165 | 83% | 0.832 | 84% | 0.844 | S | S | * | * | cis | -154.8 | 149.5 | 0.9 | -66.9 | -148 | 132.6 | 0 | 0 | 111.5 | ||||
| 5 | R | 51.1 | Low | 48.2 | Very low | 238 Ų | 238 | 164.7 Ų | 164.7 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | trans | -76 | 116.6 | 164.3 | -76.6 | 176.8 | 176.7 | 175 | -1.4 | 109.4 | S7 | R5-S7 PolarHBondContact O-N 3.18Š| ||
| 6 | S | 45.3 | Very low | 47.8 | Very low | 119 Ų | 119 | 161.6 Ų | 161.6 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | trans | -80.1 | 97.6 | 168.6 | -171.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 7 | S | 49.6 | Very low | 47.8 | Very low | 106 Ų | 106 | 155.8 Ų | 155.8 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | trans | -79.4 | 115.5 | 171.1 | -63.6 | 0 | 0 | 0 | 0 | 109.5 | R5 A9 | R5-S7 PolarHBondContact O-N 3.18Å; S7-A9 PolarHBondContact O-N 3.16Å; S7-A9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | K | 53.1 | Low | 47.6 | Very low | 200 Ų | 200 | 157.3 Ų | 157.3 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | -65.7 | 111.2 | 171 | -70.1 | 176.9 | -178.9 | 175 | 0 | 108.9 | L10 | K8-L10 PolarHBondContact O-N 3.26Š| ||
| 9 | A | 57.7 | Low | 47.5 | Very low | 98 Ų | 98 | 156.2 Ų | 156.2 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -66.6 | 111.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S7 K11 | S7-A9 PolarHBondContact O-N 3.16Å; S7-A9 VanDerWaalsContact O-N 3.16Å; A9-K11 PolarHBondContact O-N 3.21Å | ||
| 10 | L | 52.9 | Low | 47.7 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -60.4 | 118.7 | 168 | -71.2 | 162 | 0 | 0 | 0 | 108.5 | K8 V12 | K8-L10 PolarHBondContact O-N 3.26Å; L10-V12 PolarHBondContact O-N 3.03Å | ||
| 11 | K | 55.9 | Low | 48.2 | Very low | 207 Ų | 207 | 147.7 Ų | 147.7 | 90% | 0.9 | 78% | 0.781 | S | S | * | * | trans | -71.7 | 95 | 174.4 | -166.4 | 157.2 | -177.6 | 170.4 | 0 | 107.9 | A9 K13 | A9-K11 PolarHBondContact O-N 3.21Å; K11-K13 PolarHBondContact O-N 2.96Å | ||
| 12 | V | 49.5 | Very low | 49.8 | Very low | 125 Ų | 125 | 143 Ų | 143 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | trans | -52.9 | 111.6 | 174.6 | 176.7 | 0 | 0 | 0 | 0 | 108.3 | L10 R14 | L10-V12 PolarHBondContact O-N 3.03Å; V12-R14 PolarHBondContact O-N 3.07Å | ||
| 13 | K | 53.8 | Low | 51.9 | Low | 168 Ų | 168 | 137.2 Ų | 137.2 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | trans | -61.4 | 107.5 | 165.9 | -172.4 | 175.9 | 178.9 | -174.3 | 0 | 105.6 | K11 E15 | K11-K13 PolarHBondContact O-N 2.96Å; K13-E15 PolarHBondContact O-N 3.29Å | ||
| 14 | R | 52.8 | Low | 54.5 | Low | 230 Ų | 230 | 135.2 Ų | 135.2 | 87% | 0.868 | 72% | 0.716 | S | S | * | * | trans | -60.7 | 107.3 | 167.8 | -90.9 | -174.7 | -177.5 | -171.9 | 0.2 | 106.6 | V12 C16 | V12-R14 PolarHBondContact O-N 3.07Å; R14-C16 VanDerWaalsContact C-N 3.31Å; R14-C16 PolarHBondContact O-N 3.01Å | ||
| 15 | E | 43.9 | Very low | 57.1 | Low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | trans | -59.2 | 97.2 | 163.1 | -59 | -65 | 143.2 | 0 | 0 | 106.6 | K13 G17 | K13-E15 PolarHBondContact O-N 3.29Å; E15-G17 VanDerWaalsContact C-N 3.31Å; E15-G17 PolarHBondContact O-N 3.31Å | ||
| 16 | C | 41.2 | Very low | 59.2 | Low | 115 Ų | 115 | 122.7 Ų | 122.7 | 78% | 0.777 | 68% | 0.679 | S | S | * | * | trans | -91.5 | 74.9 | 177.7 | -142.4 | 0 | 0 | 0 | 0 | 107.1 | R14 | R14-C16 VanDerWaalsContact C-N 3.31Å; R14-C16 PolarHBondContact O-N 3.01Å | ||
| 17 | G | 48.7 | Very low | 61.6 | Low | 62 Ų | 62 | 121 Ų | 121 | 64% | 0.639 | 66% | 0.658 | S | S | * | * | trans | -120.6 | -0.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | E15 | E15-G17 VanDerWaalsContact C-N 3.31Å; E15-G17 PolarHBondContact O-N 3.31Å | ||
| 18 | E | 44 | Very low | 63.8 | Low | 184 Ų | 184 | 116 Ų | 116 | 86% | 0.86 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -136.3 | 35.5 | -170.4 | -77.6 | -171.8 | 134.2 | 0 | 0 | 114.4 | ||
| 19 | N | 44.8 | Very low | 65.8 | Low | 135 Ų | 135 | 110.4 Ų | 110.4 | 72% | 0.722 | 60% | 0.601 | S | S | * | * | trans | -135.3 | 71.7 | 163.8 | -77.8 | -83.8 | 0 | 0 | 0 | 108.9 | P21 | N19-P21 WeakPolarHBondContact O-CD 3.3Š| ||
| 20 | V | 52.4 | Low | 67.7 | Low | 82 Ų | 82 | 110.1 Ų | 110.1 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | trans | -66.4 | 107.3 | 146.2 | 177.9 | 0 | 0 | 0 | 0 | 104 | V22 E47 | V20-V22 PolarHBondContact O-N 2.83Å; V20-V22 VanDerWaalsContact O-N 3.09Å; V20-E47 HydrophobicContact CG2-CG 4.43Å; V20-E47 WeakPolarHBondContact CG2-OE1 3.35Å | ||
| 21 | P | 58.1 | Low | 69.8 | Low | 53 Ų | 53 | 103 Ų | 103 | 34% | 0.344 | 56% | 0.555 | S | S | . | * | trans | -59.8 | 126.1 | 175.2 | -10.4 | 26.7 | 0 | 0 | 0 | 105.3 | N19 L23 | N19-P21 WeakPolarHBondContact O-CD 3.3Å; P21-L23 HydrophobicContact CB-CG 4.23Å; P21-L23 PolarHBondContact O-N 2.97Å | ||
| 22 | V | 70.9 | Confident | 71.7 | Confident | 148 Ų | 148 | 95.5 Ų | 95.5 | 90% | 0.897 | 53% | 0.53 | S | S | * | . | trans | -69.2 | 76.2 | 176.2 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | V20 S24 | V20-V22 PolarHBondContact O-N 2.83Å; V20-V22 VanDerWaalsContact O-N 3.09Å; V22-S24 PolarHBondContact O-N 2.96Å | ||
| 23 | L | 85.5 | Confident | 73.9 | Confident | 8 Ų | 8 | 94.3 Ų | 94.3 | 4% | 0.042 | 52% | 0.522 | C | S | . | . | trans | -72 | 122.8 | 178.4 | -71.8 | 168.4 | 0 | 0 | 0 | 107.8 | P21 E27 L28 H39 L51 R54 | P21-L23 HydrophobicContact CB-CG 4.23Å; P21-L23 PolarHBondContact O-N 2.97Å; L23-E27 HydrophobicContact CD2-CG 4.21Å; L23-L28 HydrophobicContact CD1-CD1 4.49Å; L23-H39 HydrophobicContact CD1-CB 4.49Å; L23-L51 HydrophobicContact CD1-CD1 4.25Å; L23-L51 HydrophobicContact CD1-CD2 3.9Å; L23-R54 PolarHBondContact O-NH1 3.4Å; L23-R54 PolarHBondContact O-NH2 3.19Å | ||
| 24 | S | 93.6 | Very high | 76 | Confident | 58 Ų | 58 | 96.6 Ų | 96.6 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | trans | -64.9 | 156.3 | 173.2 | 71.9 | 0 | 0 | 0 | 0 | 110.8 | V22 S26 E27 L28 | V22-S24 PolarHBondContact O-N 2.96Å; S24-S26 PolarHBondContact O-N 2.95Å; S24-E27 PolarHBondContact O-N 3.33Å; S24-E27 VanDerWaalsContact OG-CB 3.22Å; S24-E27 WeakPolarHBondContact OG-CB 3.4Å; S24-E27 PolarHBondContact OG-N 3.03Å; S24-L28 WeakPolarHBondContact O-CB 3.48Å; S24-L28 PolarHBondContact O-N 3.45Å | ||
| 25 | D | 94.6 | Very high | 78.1 | Confident | 69 Ų | 69 | 90.1 Ų | 90.1 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 176.1 | -82.3 | -6.6 | 0 | 0 | 0 | 111.2 | L28 M29 R54 L58 | D25-L28 PolarHBondContact O-N 3.36Å; D25-M29 WeakPolarHBondContact O-CG 3.18Å; D25-M29 PolarHBondContact O-N 2.64Å; D25-M29 VanDerWaalsContact O-N 3.08Å; D25-R54 IonicContact OD1-CZ 3.05Å; D25-R54 IonicContact OD1-NE 2.84Å; D25-R54 PolarHBondContact OD1-NE 2.99Å; D25-R54 IonicContact OD1-NH2 2.61Å; D25-R54 PolarHBondContact OD1-NH2 3.27Å; D25-L58 HydrophobicContact CB-CD1 3.81Å; D25-L58 HydrophobicContact CB-CD2 4.05Å; D25-L58 WeakPolarHBondContact OD1-CD1 3.22Å |
| 26 | S | 94.1 | Very high | 80.5 | Confident | 84 Ų | 84 | 83 Ų | 83 | 59% | 0.587 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.2 | -50.6 | -179.8 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | S24 M29 S30 | S24-S26 PolarHBondContact O-N 2.95Å; S26-M29 PolarHBondContact O-N 3.46Å; S26-S30 PolarHBondContact O-N 2.86Å; S26-S30 VanDerWaalsContact O-N 3.1Å; S26-S30 PolarHBondContact O-OG 3.39Å |
| 27 | E | 95.6 | Very high | 83.1 | Confident | 83 Ų | 83 | 81.3 Ų | 81.3 | 39% | 0.388 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 178.2 | -172.6 | 176.4 | -164.2 | 0 | 0 | 111.3 | L23 S24 M29 S30 L31 | L23-E27 HydrophobicContact CD2-CG 4.21Å; S24-E27 PolarHBondContact O-N 3.33Å; S24-E27 VanDerWaalsContact OG-CB 3.22Å; S24-E27 WeakPolarHBondContact OG-CB 3.4Å; S24-E27 PolarHBondContact OG-N 3.03Å; E27-M29 PolarHBondContact O-N 3.38Å; E27-S30 WeakPolarHBondContact CA-OG 3.47Å; E27-S30 PolarHBondContact O-N 3.44Å; E27-S30 PolarHBondContact O-OG 3.42Å; E27-L31 WeakPolarHBondContact O-CG 3.32Å; E27-L31 PolarHBondContact O-N 3.02Å |
| 28 | L | 95.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.8 | -33.4 | 178.6 | -177.4 | 59.6 | 0 | 0 | 0 | 113.1 | L23 S24 D25 L36 L51 R54 R55 L58 | L23-L28 HydrophobicContact CD1-CD1 4.49Å; S24-L28 WeakPolarHBondContact O-CB 3.48Å; S24-L28 PolarHBondContact O-N 3.45Å; D25-L28 PolarHBondContact O-N 3.36Å; L28-L36 HydrophobicContact CD1-CD1 3.84Å; L28-L51 HydrophobicContact CD1-CD1 3.94Å; L28-L51 HydrophobicContact CD1-CD2 4.33Å; L28-L51 HydrophobicContact CD1-CG 3.93Å; L28-L51 HydrophobicContact CD2-CD1 3.81Å; L28-L51 HydrophobicContact CD2-CG 4.42Å; L28-R54 HydrophobicContact CD2-CB 4.22Å; L28-R54 HydrophobicContact CD2-CG 3.9Å; L28-R55 HydrophobicContact CD1-CB 4.1Å; L28-R55 HydrophobicContact CD1-CG 4.33Å; L28-R55 HydrophobicContact CD2-CB 4.03Å; L28-R55 HydrophobicContact CG-CB 3.88Å; L28-R55 HydrophobicContact CG-CG 4.09Å; L28-R55 WeakPolarHBondContact O-CD 3.46Å; L28-R55 PolarHBondContact O-NE 2.92Å; L28-L58 HydrophobicContact CD2-CD1 4.17Å |
| 29 | M | 96.1 | Very high | 87.6 | Confident | 84 Ų | 84 | 78 Ų | 78 | 41% | 0.414 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -70.6 | -42 | 174.1 | -72.4 | -167.9 | -44.6 | 0 | 0 | 112.1 | D25 S26 E27 R55 L58 | D25-M29 WeakPolarHBondContact O-CG 3.18Å; D25-M29 PolarHBondContact O-N 2.64Å; D25-M29 VanDerWaalsContact O-N 3.08Å; S26-M29 PolarHBondContact O-N 3.46Å; E27-M29 PolarHBondContact O-N 3.38Å; M29-R55 PolarHBondContact O-NH2 3.35Å; M29-L58 HydrophobicContact CG-CB 3.7Å; M29-L58 HydrophobicContact CG-CD1 4.1Å; M29-L58 HydrophobicContact CG-CG 4.49Å; M29-L58 HydrophobicContact SD-CB 3.83Å |
| 30 | S | 96.4 | Very high | 90 | Very high | 91 Ų | 91 | 72.4 Ų | 72.4 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -74.8 | -29.4 | -173.1 | 68.2 | 0 | 0 | 0 | 0 | 114 | S26 E27 S32 | S26-S30 PolarHBondContact O-N 2.86Å; S26-S30 VanDerWaalsContact O-N 3.1Å; S26-S30 PolarHBondContact O-OG 3.39Å; E27-S30 WeakPolarHBondContact CA-OG 3.47Å; E27-S30 PolarHBondContact O-N 3.44Å; E27-S30 PolarHBondContact O-OG 3.42Å; S30-S32 PolarHBondContact O-N 2.91Å |
| 31 | L | 96.8 | Very high | 92 | Very high | 15 Ų | 15 | 77.8 Ų | 77.8 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -51 | 136 | 178.7 | -68.8 | 176 | 0 | 0 | 0 | 111.6 | E27 E35 L36 R55 | E27-L31 WeakPolarHBondContact O-CG 3.32Å; E27-L31 PolarHBondContact O-N 3.02Å; L31-E35 HydrophobicContact CB-CB 4.33Å; L31-E35 HydrophobicContact CD2-CB 3.82Å; L31-L36 HydrophobicContact CB-CB 4.44Å; L31-L36 HydrophobicContact CD1-CB 4.46Å; L31-L36 HydrophobicContact CD1-CD1 4.34Å; L31-R55 PolarHBondContact O-NH1 3.35Å; L31-R55 VanDerWaalsContact O-NH1 3.11Å; L31-R55 PolarHBondContact O-NH2 3.07Å |
| 32 | S | 96.8 | Very high | 93.6 | Very high | 51 Ų | 51 | 78.7 Ų | 78.7 | 36% | 0.357 | 43% | 0.427 | S | S | . | . | trans | -62.9 | 171.8 | 163.7 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | S30 R34 E35 L36 R55 | S30-S32 PolarHBondContact O-N 2.91Å; S32-R34 VanDerWaalsContact C-N 3.27Å; S32-R34 PolarHBondContact O-N 3.42Å; S32-E35 WeakPolarHBondContact CB-OE2 3.36Å; S32-E35 PolarHBondContact N-OE2 3.26Å; S32-E35 VanDerWaalsContact OG-CD 3.22Å; S32-E35 VanDerWaalsContact OG-CG 3.29Å; S32-E35 WeakPolarHBondContact OG-CG 3.4Å; S32-E35 PolarHBondContact OG-N 2.89Å; S32-E35 VanDerWaalsContact OG-N 3.12Å; S32-E35 PolarHBondContact OG-OE2 3.25Å; S32-L36 WeakPolarHBondContact O-CB 3.28Å; S32-L36 PolarHBondContact O-N 3.27Å; S32-R55 PolarHBondContact O-NH1 3.34Å | ||
| 33 | V | 96.3 | Very high | 94.6 | Very high | 99 Ų | 99 | 73.4 Ų | 73.4 | 60% | 0.6 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 173 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | N37 | V33-N37 WeakPolarHBondContact O-CB 3.5Å; V33-N37 PolarHBondContact O-N 3.46Å; V33-N37 PolarHBondContact O-ND2 2.97Å |
| 34 | R | 97.4 | Very high | 95.1 | Very high | 217 Ų | 217 | 75.2 Ų | 75.2 | 82% | 0.819 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.2 | -47.7 | 179 | -177.1 | 180 | 173.6 | -173.6 | -2.2 | 111.6 | S32 N37 L38 | S32-R34 VanDerWaalsContact C-N 3.27Å; S32-R34 PolarHBondContact O-N 3.42Å; R34-N37 PolarHBondContact O-N 3.19Å; R34-L38 PolarHBondContact O-N 3.25Å |
| 35 | E | 96.4 | Very high | 95.2 | Very high | 94 Ų | 94 | 81.2 Ų | 81.2 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | -180 | -65.7 | 155.2 | 148.9 | 0 | 0 | 111.6 | L31 S32 N37 L38 H39 | L31-E35 HydrophobicContact CB-CB 4.33Å; L31-E35 HydrophobicContact CD2-CB 3.82Å; S32-E35 WeakPolarHBondContact CB-OE2 3.36Å; S32-E35 PolarHBondContact N-OE2 3.26Å; S32-E35 VanDerWaalsContact OG-CD 3.22Å; S32-E35 VanDerWaalsContact OG-CG 3.29Å; S32-E35 WeakPolarHBondContact OG-CG 3.4Å; S32-E35 PolarHBondContact OG-N 2.89Å; S32-E35 VanDerWaalsContact OG-N 3.12Å; S32-E35 PolarHBondContact OG-OE2 3.25Å; E35-N37 VanDerWaalsContact C-N 3.33Å; E35-N37 PolarHBondContact O-N 3.32Å; E35-L38 WeakPolarHBondContact O-CB 3.11Å; E35-L38 PolarHBondContact O-N 3.07Å; E35-H39 PolarHBondContact O-N 3.38Å; E35-H39 VanDerWaalsContact O-N 3.13Å; E35-H39 PolarHBondContact O-ND1 2.93Å |
| 36 | L | 95.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 83.6 Ų | 83.6 | 6% | 0.063 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 171.3 | 176.6 | 68.5 | 0 | 0 | 0 | 110.7 | L28 L31 S32 L38 H39 L40 L51 | L28-L36 HydrophobicContact CD1-CD1 3.84Å; L31-L36 HydrophobicContact CB-CB 4.44Å; L31-L36 HydrophobicContact CD1-CB 4.46Å; L31-L36 HydrophobicContact CD1-CD1 4.34Å; S32-L36 WeakPolarHBondContact O-CB 3.28Å; S32-L36 PolarHBondContact O-N 3.27Å; L36-L38 PolarHBondContact O-N 2.92Å; L36-H39 PolarHBondContact O-N 2.96Å; L36-H39 VanDerWaalsContact O-N 3.07Å; L36-L40 HydrophobicContact CD1-CD1 4.46Å; L36-L40 HydrophobicContact CD1-CD2 4.49Å; L36-L40 HydrophobicContact CD1-CG 4.28Å; L36-L40 HydrophobicContact CD2-CD1 4.4Å; L36-L40 HydrophobicContact CG-CD1 3.97Å; L36-L40 HydrophobicContact CG-CG 4.22Å; L36-L40 VanDerWaalsContact O-CG 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.44Å; L36-L51 HydrophobicContact CD1-CD2 4.01Å |
| 37 | N | 95.9 | Very high | 95.2 | Very high | 78 Ų | 78 | 82.6 Ų | 82.6 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63 | -27.1 | 179.7 | -74.2 | -23.6 | 0 | 0 | 0 | 113 | V33 R34 E35 R41 | V33-N37 WeakPolarHBondContact O-CB 3.5Å; V33-N37 PolarHBondContact O-N 3.46Å; V33-N37 PolarHBondContact O-ND2 2.97Å; R34-N37 PolarHBondContact O-N 3.19Å; E35-N37 VanDerWaalsContact C-N 3.33Å; E35-N37 PolarHBondContact O-N 3.32Å; N37-R41 WeakPolarHBondContact O-CG 3.47Å |
| 38 | L | 94.5 | Very high | 95.1 | Very high | 113 Ų | 113 | 80 Ų | 80 | 59% | 0.592 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.8 | -46.5 | 171.2 | -177.7 | 62.6 | 0 | 0 | 0 | 111.1 | R34 E35 L36 L40 R41 | R34-L38 PolarHBondContact O-N 3.25Å; E35-L38 WeakPolarHBondContact O-CB 3.11Å; E35-L38 PolarHBondContact O-N 3.07Å; L36-L38 PolarHBondContact O-N 2.92Å; L38-L40 PolarHBondContact O-N 3.39Å; L38-R41 WeakPolarHBondContact O-CB 3.37Å; L38-R41 PolarHBondContact O-N 3.17Å |
| 39 | H | 92.1 | Very high | 95.2 | Very high | 64 Ų | 64 | 85.3 Ų | 85.3 | 30% | 0.296 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.6 | -24.1 | 177 | -72.2 | 82.7 | 0 | 0 | 0 | 113.7 | L23 E35 L36 R41 | L23-H39 HydrophobicContact CD1-CB 4.49Å; E35-H39 PolarHBondContact O-N 3.38Å; E35-H39 VanDerWaalsContact O-N 3.13Å; E35-H39 PolarHBondContact O-ND1 2.93Å; L36-H39 PolarHBondContact O-N 2.96Å; L36-H39 VanDerWaalsContact O-N 3.07Å; H39-R41 VanDerWaalsContact C-N 3.31Å |
| 40 | L | 94.5 | Very high | 95.1 | Very high | 17 Ų | 17 | 89.2 Ų | 89.2 | 9% | 0.089 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.7 | 177.4 | -67.4 | 175.8 | 0 | 0 | 0 | 113.4 | L36 L38 L43 V48 L51 K52 | L36-L40 HydrophobicContact CD1-CD1 4.46Å; L36-L40 HydrophobicContact CD1-CD2 4.49Å; L36-L40 HydrophobicContact CD1-CG 4.28Å; L36-L40 HydrophobicContact CD2-CD1 4.4Å; L36-L40 HydrophobicContact CG-CD1 3.97Å; L36-L40 HydrophobicContact CG-CG 4.22Å; L36-L40 VanDerWaalsContact O-CG 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.44Å; L38-L40 PolarHBondContact O-N 3.39Å; L40-L43 HydrophobicContact CD2-CD1 4.26Å; L40-L43 PolarHBondContact O-N 3.15Å; L40-V48 HydrophobicContact CB-CG2 4.36Å; L40-V48 HydrophobicContact CD1-CG1 4.25Å; L40-V48 HydrophobicContact CD2-CB 4.31Å; L40-V48 HydrophobicContact CD2-CG1 4.16Å; L40-V48 HydrophobicContact CD2-CG2 4.09Å; L40-L51 HydrophobicContact CD2-CB 4.24Å; L40-L51 HydrophobicContact CD2-CD2 3.67Å; L40-L51 HydrophobicContact CD2-CG 4.47Å; L40-K52 HydrophobicContact CD1-CG 4.43Å |
| 41 | R | 94.5 | Very high | 95.1 | Very high | 195 Ų | 195 | 85.9 Ų | 85.9 | 74% | 0.736 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 133.7 | -178.8 | -66.7 | -173.3 | -178.7 | -130.6 | -0.3 | 110.5 | N37 L38 H39 L43 | N37-R41 WeakPolarHBondContact O-CG 3.47Å; L38-R41 WeakPolarHBondContact O-CB 3.37Å; L38-R41 PolarHBondContact O-N 3.17Å; H39-R41 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 3.26Å |
| 42 | G | 91.2 | Very high | 95.1 | Very high | 73 Ų | 73 | 90.4 Ų | 90.4 | 75% | 0.753 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -4.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 43 | L | 93.3 | Very high | 95.1 | Very high | 36 Ų | 36 | 93 Ų | 93 | 19% | 0.188 | 45% | 0.446 | C | S | . | . | trans | -79.1 | 152.1 | 172.2 | -60.2 | -174.4 | 0 | 0 | 0 | 111.6 | L40 R41 E47 V48 | L40-L43 HydrophobicContact CD2-CD1 4.26Å; L40-L43 PolarHBondContact O-N 3.15Å; R41-L43 PolarHBondContact O-N 3.26Å; L43-E47 HydrophobicContact CB-CB 4.15Å; L43-V48 HydrophobicContact CB-CG2 3.95Å | ||
| 44 | S | 95.6 | Very high | 95.1 | Very high | 47 Ų | 47 | 92.6 Ų | 92.6 | 33% | 0.329 | 43% | 0.433 | S | S | . | . | trans | -65.7 | 161.5 | 171.2 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | E46 E47 V48 | S44-E46 PolarHBondContact O-N 2.9Å; S44-E47 WeakPolarHBondContact CB-OE2 3.43Å; S44-E47 PolarHBondContact N-OE2 2.93Å; S44-E47 PolarHBondContact O-N 3.36Å; S44-E47 WeakPolarHBondContact OG-CB 3.48Å; S44-E47 WeakPolarHBondContact OG-CG 3.46Å; S44-E47 PolarHBondContact OG-N 3.09Å; S44-E47 PolarHBondContact OG-OE2 3.41Å; S44-V48 VanDerWaalsContact O-CG2 3.3Å; S44-V48 WeakPolarHBondContact O-CG2 3.27Å; S44-V48 PolarHBondContact O-N 3.44Å | ||
| 45 | R | 95.5 | Very high | 95.1 | Very high | 183 Ų | 183 | 83 Ų | 83 | 69% | 0.691 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60 | -39.5 | -179 | -176.2 | -179 | -179.3 | -142.8 | 2.1 | 111.4 | V48 Q49 | R45-V48 PolarHBondContact O-N 3Å; R45-Q49 WeakPolarHBondContact O-CG 3.43Å; R45-Q49 PolarHBondContact O-N 2.83Å |
| 46 | E | 95.4 | Very high | 95.2 | Very high | 120 Ų | 120 | 86.2 Ų | 86.2 | 56% | 0.561 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.4 | -43.9 | -178.8 | -66.1 | 64.2 | -139.3 | 0 | 0 | 110.6 | S44 Q49 K50 | S44-E46 PolarHBondContact O-N 2.9Å; E46-Q49 PolarHBondContact O-N 2.84Å; E46-K50 WeakPolarHBondContact O-CB 3.4Å; E46-K50 PolarHBondContact O-N 2.69Å |
| 47 | E | 93.3 | Very high | 95.3 | Very high | 63 Ų | 63 | 88.8 Ų | 88.8 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 176 | -71 | 166.2 | 136 | 0 | 0 | 112 | V20 L43 S44 Q49 K50 L51 | V20-E47 HydrophobicContact CG2-CG 4.43Å; V20-E47 WeakPolarHBondContact CG2-OE1 3.35Å; L43-E47 HydrophobicContact CB-CB 4.15Å; S44-E47 WeakPolarHBondContact CB-OE2 3.43Å; S44-E47 PolarHBondContact N-OE2 2.93Å; S44-E47 PolarHBondContact O-N 3.36Å; S44-E47 WeakPolarHBondContact OG-CB 3.48Å; S44-E47 WeakPolarHBondContact OG-CG 3.46Å; S44-E47 PolarHBondContact OG-N 3.09Å; S44-E47 PolarHBondContact OG-OE2 3.41Å; E47-Q49 VanDerWaalsContact C-N 3.32Å; E47-Q49 PolarHBondContact O-N 3.12Å; E47-K50 PolarHBondContact O-N 3.2Å; E47-L51 WeakPolarHBondContact O-CB 3.11Å; E47-L51 PolarHBondContact O-N 2.56Å |
| 48 | V | 94.9 | Very high | 95.4 | Very high | 29 Ų | 29 | 85.5 Ų | 85.5 | 18% | 0.176 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | L40 L43 S44 R45 K52 | L40-V48 HydrophobicContact CB-CG2 4.36Å; L40-V48 HydrophobicContact CD1-CG1 4.25Å; L40-V48 HydrophobicContact CD2-CB 4.31Å; L40-V48 HydrophobicContact CD2-CG1 4.16Å; L40-V48 HydrophobicContact CD2-CG2 4.09Å; L43-V48 HydrophobicContact CB-CG2 3.95Å; S44-V48 VanDerWaalsContact O-CG2 3.3Å; S44-V48 WeakPolarHBondContact O-CG2 3.27Å; S44-V48 PolarHBondContact O-N 3.44Å; R45-V48 PolarHBondContact O-N 3Å; V48-K52 HydrophobicContact CG1-CD 4.08Å; V48-K52 WeakPolarHBondContact O-CB 3.24Å; V48-K52 WeakPolarHBondContact O-CG 3.41Å; V48-K52 PolarHBondContact O-N 3.27Å |
| 49 | Q | 96.6 | Very high | 95.6 | Very high | 110 Ų | 110 | 83.6 Ų | 83.6 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 176.7 | -75.1 | -177.7 | 0.8 | 0 | 0 | 111.6 | R45 E46 E47 L51 K52 Q53 | R45-Q49 WeakPolarHBondContact O-CG 3.43Å; R45-Q49 PolarHBondContact O-N 2.83Å; E46-Q49 PolarHBondContact O-N 2.84Å; E47-Q49 VanDerWaalsContact C-N 3.32Å; E47-Q49 PolarHBondContact O-N 3.12Å; Q49-L51 VanDerWaalsContact C-N 3.35Å; Q49-L51 PolarHBondContact O-N 3.07Å; Q49-K52 PolarHBondContact O-N 3.49Å; Q49-Q53 VanDerWaalsContact O-CB 3.28Å; Q49-Q53 WeakPolarHBondContact O-CB 3.33Å; Q49-Q53 PolarHBondContact O-N 2.81Å |
| 50 | K | 95.1 | Very high | 95.8 | Very high | 167 Ų | 167 | 84.5 Ų | 84.5 | 73% | 0.726 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.8 | -45 | 178.6 | -171 | 177.5 | -178.6 | -179.6 | 0 | 111.6 | E46 E47 Q53 R54 | E46-K50 WeakPolarHBondContact O-CB 3.4Å; E46-K50 PolarHBondContact O-N 2.69Å; E47-K50 PolarHBondContact O-N 3.2Å; K50-Q53 PolarHBondContact O-N 3.13Å; K50-R54 WeakPolarHBondContact O-CB 3.38Å; K50-R54 PolarHBondContact O-N 3.24Å |
| 51 | L | 95.2 | Very high | 96 | Very high | 21 Ų | 21 | 91.4 Ų | 91.4 | 11% | 0.11 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.5 | -42.1 | -178.9 | -164.2 | 67.4 | 0 | 0 | 0 | 112.1 | L23 L28 L36 L40 E47 Q49 R54 R55 | L23-L51 HydrophobicContact CD1-CD1 4.25Å; L23-L51 HydrophobicContact CD1-CD2 3.9Å; L28-L51 HydrophobicContact CD1-CD1 3.94Å; L28-L51 HydrophobicContact CD1-CD2 4.33Å; L28-L51 HydrophobicContact CD1-CG 3.93Å; L28-L51 HydrophobicContact CD2-CD1 3.81Å; L28-L51 HydrophobicContact CD2-CG 4.42Å; L36-L51 HydrophobicContact CD1-CD2 4.01Å; L40-L51 HydrophobicContact CD2-CB 4.24Å; L40-L51 HydrophobicContact CD2-CD2 3.67Å; L40-L51 HydrophobicContact CD2-CG 4.47Å; E47-L51 WeakPolarHBondContact O-CB 3.11Å; E47-L51 PolarHBondContact O-N 2.56Å; Q49-L51 VanDerWaalsContact C-N 3.35Å; Q49-L51 PolarHBondContact O-N 3.07Å; L51-R54 PolarHBondContact O-N 3.35Å; L51-R55 WeakPolarHBondContact O-CB 3.48Å; L51-R55 PolarHBondContact O-N 3.11Å |
| 52 | K | 96.4 | Very high | 96.1 | Very high | 109 Ų | 109 | 83.8 Ų | 83.8 | 47% | 0.474 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 174.2 | -76.6 | -179.2 | 176 | 178.9 | 0 | 111.8 | L40 V48 Q49 R55 R56 | L40-K52 HydrophobicContact CD1-CG 4.43Å; V48-K52 HydrophobicContact CG1-CD 4.08Å; V48-K52 WeakPolarHBondContact O-CB 3.24Å; V48-K52 WeakPolarHBondContact O-CG 3.41Å; V48-K52 PolarHBondContact O-N 3.27Å; Q49-K52 PolarHBondContact O-N 3.49Å; K52-R55 PolarHBondContact O-N 3.04Å; K52-R56 WeakPolarHBondContact O-CB 3.34Å; K52-R56 PolarHBondContact O-N 3.18Å |
| 53 | Q | 97.5 | Very high | 96.4 | Very high | 106 Ų | 106 | 87.1 Ų | 87.1 | 50% | 0.495 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 178 | -176.6 | 58.7 | 22.8 | 0 | 0 | 111.3 | Q49 K50 R55 R56 T57 | Q49-Q53 VanDerWaalsContact O-CB 3.28Å; Q49-Q53 WeakPolarHBondContact O-CB 3.33Å; Q49-Q53 PolarHBondContact O-N 2.81Å; K50-Q53 PolarHBondContact O-N 3.13Å; Q53-R55 VanDerWaalsContact C-N 3.33Å; Q53-R55 PolarHBondContact O-N 3.08Å; Q53-R56 WeakPolarHBondContact O-CB 3.47Å; Q53-R56 PolarHBondContact O-N 3.36Å; Q53-R56 VanDerWaalsContact O-N 3.17Å; Q53-T57 PolarHBondContact O-N 2.87Å; Q53-T57 PolarHBondContact O-OG1 2.92Å |
| 54 | R | 96.8 | Very high | 96.7 | Very high | 90 Ų | 90 | 87.8 Ų | 87.8 | 34% | 0.34 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.2 | -48.2 | 174.4 | -178.2 | 175.8 | 165.4 | -138.4 | 7.3 | 110.8 | L23 D25 L28 K50 L51 R56 T57 L58 | L23-R54 PolarHBondContact O-NH1 3.4Å; L23-R54 PolarHBondContact O-NH2 3.19Å; D25-R54 IonicContact OD1-CZ 3.05Å; D25-R54 IonicContact OD1-NE 2.84Å; D25-R54 PolarHBondContact OD1-NE 2.99Å; D25-R54 IonicContact OD1-NH2 2.61Å; D25-R54 PolarHBondContact OD1-NH2 3.27Å; L28-R54 HydrophobicContact CD2-CB 4.22Å; L28-R54 HydrophobicContact CD2-CG 3.9Å; K50-R54 WeakPolarHBondContact O-CB 3.38Å; K50-R54 PolarHBondContact O-N 3.24Å; L51-R54 PolarHBondContact O-N 3.35Å; R54-R56 VanDerWaalsContact C-N 3.34Å; R54-R56 PolarHBondContact O-N 3.21Å; R54-T57 PolarHBondContact O-N 2.61Å; R54-L58 HydrophobicContact CG-CD1 4.2Å; R54-L58 WeakPolarHBondContact O-CG 3.33Å; R54-L58 PolarHBondContact O-N 3.07Å |
| 55 | R | 97.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 88.1 Ų | 88.1 | 6% | 0.057 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 177 | -171.4 | 174.6 | -176.5 | -176.9 | -6.1 | 112.6 | L28 M29 L31 S32 L51 K52 Q53 L58 K59 | L28-R55 HydrophobicContact CD1-CB 4.1Å; L28-R55 HydrophobicContact CD1-CG 4.33Å; L28-R55 HydrophobicContact CD2-CB 4.03Å; L28-R55 HydrophobicContact CG-CB 3.88Å; L28-R55 HydrophobicContact CG-CG 4.09Å; L28-R55 WeakPolarHBondContact O-CD 3.46Å; L28-R55 PolarHBondContact O-NE 2.92Å; M29-R55 PolarHBondContact O-NH2 3.35Å; L31-R55 PolarHBondContact O-NH1 3.35Å; L31-R55 VanDerWaalsContact O-NH1 3.11Å; L31-R55 PolarHBondContact O-NH2 3.07Å; S32-R55 PolarHBondContact O-NH1 3.34Å; L51-R55 WeakPolarHBondContact O-CB 3.48Å; L51-R55 PolarHBondContact O-N 3.11Å; K52-R55 PolarHBondContact O-N 3.04Å; Q53-R55 VanDerWaalsContact C-N 3.33Å; Q53-R55 PolarHBondContact O-N 3.08Å; R55-L58 PolarHBondContact O-N 3.49Å; R55-K59 VanDerWaalsContact NH2-NZ 3.15Å; R55-K59 PolarHBondContact O-N 2.96Å |
| 56 | R | 98.3 | Very high | 96.9 | Very high | 162 Ų | 162 | 82.4 Ų | 82.4 | 61% | 0.611 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.9 | -46.8 | 177.1 | -175 | 178.8 | -174.5 | 179.1 | 1.2 | 111.4 | K52 Q53 R54 L58 K59 N60 | K52-R56 WeakPolarHBondContact O-CB 3.34Å; K52-R56 PolarHBondContact O-N 3.18Å; Q53-R56 WeakPolarHBondContact O-CB 3.47Å; Q53-R56 PolarHBondContact O-N 3.36Å; Q53-R56 VanDerWaalsContact O-N 3.17Å; R54-R56 VanDerWaalsContact C-N 3.34Å; R54-R56 PolarHBondContact O-N 3.21Å; R56-L58 VanDerWaalsContact C-N 3.32Å; R56-L58 PolarHBondContact O-N 3Å; R56-K59 PolarHBondContact O-N 3.44Å; R56-N60 WeakPolarHBondContact O-CB 3.47Å; R56-N60 VanDerWaalsContact O-CG 3.26Å; R56-N60 PolarHBondContact O-N 3.41Å |
| 57 | T | 98 | Very high | 97.1 | Very high | 66 Ų | 66 | 79.7 Ų | 79.7 | 41% | 0.405 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 177.3 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | Q53 R54 N60 R61 | Q53-T57 PolarHBondContact O-N 2.87Å; Q53-T57 PolarHBondContact O-OG1 2.92Å; R54-T57 PolarHBondContact O-N 2.61Å; T57-N60 PolarHBondContact O-N 3.36Å; T57-R61 PolarHBondContact O-N 2.67Å |
| 58 | L | 97.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 84.9 Ų | 84.9 | 5% | 0.052 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.8 | -47 | 177.6 | -68.4 | 172.1 | 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 4.05Å; D25-L58 WeakPolarHBondContact OD1-CD1 3.22Å; L28-L58 HydrophobicContact CD2-CD1 4.17Å; M29-L58 HydrophobicContact CG-CB 3.7Å; M29-L58 HydrophobicContact CG-CD1 4.1Å; M29-L58 HydrophobicContact CG-CG 4.49Å; M29-L58 HydrophobicContact SD-CB 3.83Å; R54-L58 HydrophobicContact CG-CD1 4.2Å; R54-L58 WeakPolarHBondContact O-CG 3.33Å; R54-L58 PolarHBondContact O-N 3.07Å; R55-L58 PolarHBondContact O-N 3.49Å; R56-L58 VanDerWaalsContact C-N 3.32Å; R56-L58 PolarHBondContact O-N 3Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 3.4Å; L58-R61 WeakPolarHBondContact O-CB 3.29Å; L58-R61 PolarHBondContact O-N 2.72Å; L58-G62 PolarHBondContact O-N 3.03Å |
| 59 | K | 97.7 | Very high | 97.5 | Very high | 72 Ų | 72 | 88.4 Ų | 88.4 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 175.6 | -76.4 | -168.4 | 173.3 | -174 | 0 | 112.2 | R55 R56 R61 G62 Y63 | R55-K59 VanDerWaalsContact NH2-NZ 3.15Å; R55-K59 PolarHBondContact O-N 2.96Å; R56-K59 PolarHBondContact O-N 3.44Å; K59-R61 VanDerWaalsContact C-N 3.27Å; K59-R61 PolarHBondContact O-N 3.39Å; K59-G62 WeakPolarHBondContact O-CA 3.36Å; K59-G62 PolarHBondContact O-N 3.04Å; K59-G62 VanDerWaalsContact O-N 3.07Å; K59-Y63 HydrophobicContact CB-CD2 4.44Å; K59-Y63 HydrophobicContact CB-CE2 3.89Å; K59-Y63 VanDerWaalsContact O-CD2 3.24Å; K59-Y63 WeakPolarHBondContact O-CD2 3.39Å; K59-Y63 PolarHBondContact O-N 3.43Å |
| 60 | N | 98 | Very high | 97.6 | Very high | 83 Ų | 83 | 90.8 Ų | 90.8 | 44% | 0.444 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.6 | -35.7 | 177.1 | -76.2 | -5.2 | 0 | 0 | 0 | 112.5 | R56 T57 L58 Y63 A64 | R56-N60 WeakPolarHBondContact O-CB 3.47Å; R56-N60 VanDerWaalsContact O-CG 3.26Å; R56-N60 PolarHBondContact O-N 3.41Å; T57-N60 PolarHBondContact O-N 3.36Å; L58-N60 VanDerWaalsContact C-N 3.34Å; L58-N60 PolarHBondContact O-N 3.4Å; N60-Y63 PolarHBondContact O-N 3.18Å; N60-A64 WeakPolarHBondContact O-CB 3.22Å; N60-A64 PolarHBondContact O-N 3.02Å |
| 61 | R | 97.6 | Very high | 97.8 | Very high | 163 Ų | 163 | 90.3 Ų | 90.3 | 62% | 0.615 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60 | -46.4 | 171.8 | -173.5 | -174.9 | -71.2 | 155.6 | -4.5 | 111 | T57 L58 K59 A64 A65 | T57-R61 PolarHBondContact O-N 2.67Å; L58-R61 WeakPolarHBondContact O-CB 3.29Å; L58-R61 PolarHBondContact O-N 2.72Å; K59-R61 VanDerWaalsContact C-N 3.27Å; K59-R61 PolarHBondContact O-N 3.39Å; R61-A64 PolarHBondContact O-N 2.84Å; R61-A65 PolarHBondContact O-N 3.1Å |
| 62 | G | 96.8 | Very high | 98 | Very high | 34 Ų | 34 | 92.4 Ų | 92.4 | 35% | 0.351 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L58 K59 A64 A65 S66 | L58-G62 PolarHBondContact O-N 3.03Å; K59-G62 WeakPolarHBondContact O-CA 3.36Å; K59-G62 PolarHBondContact O-N 3.04Å; K59-G62 VanDerWaalsContact O-N 3.07Å; G62-A64 VanDerWaalsContact C-N 3.31Å; G62-A64 PolarHBondContact O-N 3.31Å; G62-A65 PolarHBondContact O-N 2.91Å; G62-A65 VanDerWaalsContact O-N 3.15Å; G62-S66 PolarHBondContact O-N 2.91Å; G62-S66 PolarHBondContact O-OG 3.2Å |
| 63 | Y | 98.1 | Very high | 98.1 | Very high | 144 Ų | 144 | 90.5 Ų | 90.5 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.1 | -37.5 | 177.8 | -62.3 | -40.4 | 0 | 0 | 0 | 112.9 | K59 N60 S66 C67 | K59-Y63 HydrophobicContact CB-CD2 4.44Å; K59-Y63 HydrophobicContact CB-CE2 3.89Å; K59-Y63 VanDerWaalsContact O-CD2 3.24Å; K59-Y63 WeakPolarHBondContact O-CD2 3.39Å; K59-Y63 PolarHBondContact O-N 3.43Å; N60-Y63 PolarHBondContact O-N 3.18Å; Y63-S66 PolarHBondContact O-N 3.49Å; Y63-C67 WeakPolarHBondContact O-CB 3.32Å; Y63-C67 PolarHBondContact O-N 2.92Å |
| 64 | A | 98.5 | Very high | 98.1 | Very high | 49 Ų | 49 | 91.6 Ų | 91.6 | 41% | 0.405 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N60 R61 G62 C67 R68 | N60-A64 WeakPolarHBondContact O-CB 3.22Å; N60-A64 PolarHBondContact O-N 3.02Å; R61-A64 PolarHBondContact O-N 2.84Å; G62-A64 VanDerWaalsContact C-N 3.31Å; G62-A64 PolarHBondContact O-N 3.31Å; A64-C67 PolarHBondContact O-N 3.15Å; A64-R68 WeakPolarHBondContact O-CG 3.48Å; A64-R68 PolarHBondContact O-N 3.12Å; A64-R68 VanDerWaalsContact O-N 3.12Å |
| 65 | A | 98.1 | Very high | 98.2 | Very high | 55 Ų | 55 | 94 Ų | 94 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.4 | -50.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R61 G62 C67 R68 V69 | R61-A65 PolarHBondContact O-N 3.1Å; G62-A65 PolarHBondContact O-N 2.91Å; G62-A65 VanDerWaalsContact O-N 3.15Å; A65-C67 VanDerWaalsContact C-N 3.27Å; A65-C67 PolarHBondContact O-N 3.18Å; A65-R68 WeakPolarHBondContact O-CB 3.48Å; A65-R68 PolarHBondContact O-N 3.02Å; A65-R68 VanDerWaalsContact O-N 3.12Å; A65-V69 WeakPolarHBondContact O-CG2 3.19Å; A65-V69 PolarHBondContact O-N 3.43Å |
| 66 | S | 98.4 | Very high | 98.3 | Very high | 63 Ų | 63 | 98.2 Ų | 98.2 | 44% | 0.441 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.4 | -35.7 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | G62 Y63 V69 K70 | G62-S66 PolarHBondContact O-N 2.91Å; G62-S66 PolarHBondContact O-OG 3.2Å; Y63-S66 PolarHBondContact O-N 3.49Å; S66-V69 PolarHBondContact O-N 3.43Å; S66-K70 WeakPolarHBondContact O-CB 3.36Å; S66-K70 WeakPolarHBondContact O-CG 3.43Å; S66-K70 PolarHBondContact O-N 3.48Å |
| 67 | C | 98.6 | Very high | 98.3 | Very high | 62 Ų | 62 | 93 Ų | 93 | 42% | 0.419 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | Y63 A64 A65 R71 | Y63-C67 WeakPolarHBondContact O-CB 3.32Å; Y63-C67 PolarHBondContact O-N 2.92Å; A64-C67 PolarHBondContact O-N 3.15Å; A65-C67 VanDerWaalsContact C-N 3.27Å; A65-C67 PolarHBondContact O-N 3.18Å; C67-R71 WeakPolarHBondContact O-CB 3.37Å; C67-R71 PolarHBondContact O-N 3.12Å |
| 68 | R | 98.6 | Very high | 98.3 | Very high | 173 Ų | 173 | 94.5 Ų | 94.5 | 65% | 0.653 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62 | -47.5 | 175.2 | -67.7 | 172.1 | -172 | -155 | 1.5 | 111.1 | A64 A65 R71 V72 | A64-R68 WeakPolarHBondContact O-CG 3.48Å; A64-R68 PolarHBondContact O-N 3.12Å; A64-R68 VanDerWaalsContact O-N 3.12Å; A65-R68 WeakPolarHBondContact O-CB 3.48Å; A65-R68 PolarHBondContact O-N 3.02Å; A65-R68 VanDerWaalsContact O-N 3.12Å; R68-R71 PolarHBondContact O-N 3.46Å; R68-V72 WeakPolarHBondContact O-CG2 3.5Å; R68-V72 PolarHBondContact O-N 2.9Å |
| 69 | V | 98.6 | Very high | 98.4 | Very high | 103 Ų | 103 | 98 Ų | 98 | 62% | 0.624 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.8 | -49.8 | 178.1 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | A65 S66 R71 V72 S73 | A65-V69 WeakPolarHBondContact O-CG2 3.19Å; A65-V69 PolarHBondContact O-N 3.43Å; S66-V69 PolarHBondContact O-N 3.43Å; V69-R71 VanDerWaalsContact C-N 3.3Å; V69-R71 PolarHBondContact O-N 3.08Å; V69-V72 PolarHBondContact O-N 3.01Å; V69-S73 WeakPolarHBondContact O-CB 3.36Å; V69-S73 PolarHBondContact O-N 3.14Å |
| 70 | K | 98.7 | Very high | 98.4 | Very high | 160 Ų | 160 | 98.4 Ų | 98.4 | 70% | 0.696 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.5 | -43.5 | 177.8 | -77.4 | -177.6 | -179.8 | -174.8 | 0 | 112.2 | S66 Q74 | S66-K70 WeakPolarHBondContact O-CB 3.36Å; S66-K70 WeakPolarHBondContact O-CG 3.43Å; S66-K70 PolarHBondContact O-N 3.48Å; K70-Q74 VanDerWaalsContact O-CB 3.26Å; K70-Q74 WeakPolarHBondContact O-CB 3.46Å; K70-Q74 PolarHBondContact O-N 3.35Å |
| 71 | R | 98.8 | Very high | 98.5 | Very high | 157 Ų | 157 | 99.5 Ų | 99.5 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65 | -45.6 | -179.9 | -170.3 | -170.4 | -50.6 | 155.1 | 5.2 | 112.1 | C67 R68 V69 Q74 R75 | C67-R71 WeakPolarHBondContact O-CB 3.37Å; C67-R71 PolarHBondContact O-N 3.12Å; R68-R71 PolarHBondContact O-N 3.46Å; V69-R71 VanDerWaalsContact C-N 3.3Å; V69-R71 PolarHBondContact O-N 3.08Å; R71-Q74 PolarHBondContact O-N 3.26Å; R71-R75 PolarHBondContact O-N 2.98Å |
| 72 | V | 98.7 | Very high | 98.5 | Very high | 65 Ų | 65 | 98.7 Ų | 98.7 | 39% | 0.394 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 179 | 172.1 | 0 | 0 | 0 | 0 | 110 | R68 V69 Q74 R75 E76 | R68-V72 WeakPolarHBondContact O-CG2 3.5Å; R68-V72 PolarHBondContact O-N 2.9Å; V69-V72 PolarHBondContact O-N 3.01Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 2.92Å; V72-R75 WeakPolarHBondContact O-CB 3.46Å; V72-R75 PolarHBondContact O-N 3.36Å; V72-R75 VanDerWaalsContact O-N 3.14Å; V72-E76 HydrophobicContact CG1-CG 4.4Å; V72-E76 WeakPolarHBondContact CG1-OE1 3.34Å; V72-E76 WeakPolarHBondContact O-CG 3.26Å; V72-E76 PolarHBondContact O-N 3.37Å |
| 73 | S | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 102 Ų | 102 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 177.6 | 175.6 | 0 | 0 | 0 | 0 | 112.5 | V69 E76 A77 | V69-S73 WeakPolarHBondContact O-CB 3.36Å; V69-S73 PolarHBondContact O-N 3.14Å; S73-E76 PolarHBondContact O-N 3.46Å; S73-A77 WeakPolarHBondContact O-CB 3.45Å; S73-A77 PolarHBondContact O-N 2.92Å |
| 74 | Q | 98.8 | Very high | 98.7 | Very high | 129 Ų | 129 | 99.9 Ų | 99.9 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 175.8 | -175.1 | 178.5 | 25.1 | 0 | 0 | 111.9 | K70 R71 V72 A77 L78 | K70-Q74 VanDerWaalsContact O-CB 3.26Å; K70-Q74 WeakPolarHBondContact O-CB 3.46Å; K70-Q74 PolarHBondContact O-N 3.35Å; R71-Q74 PolarHBondContact O-N 3.26Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 2.92Å; Q74-A77 PolarHBondContact O-N 3.31Å; Q74-L78 HydrophobicContact CG-CD1 4.4Å; Q74-L78 WeakPolarHBondContact O-CG 3.42Å; Q74-L78 PolarHBondContact O-N 2.91Å; Q74-L78 VanDerWaalsContact O-N 3.08Å |
| 75 | R | 98.7 | Very high | 98.7 | Very high | 141 Ų | 141 | 103.2 Ų | 103.2 | 53% | 0.532 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -48 | 176.1 | -176.2 | -170.8 | 67.7 | 158 | 3.5 | 111.1 | R71 V72 A77 L78 E79 | R71-R75 PolarHBondContact O-N 2.98Å; V72-R75 WeakPolarHBondContact O-CB 3.46Å; V72-R75 PolarHBondContact O-N 3.36Å; V72-R75 VanDerWaalsContact O-N 3.14Å; R75-A77 VanDerWaalsContact C-N 3.32Å; R75-A77 PolarHBondContact O-N 3.4Å; R75-L78 PolarHBondContact O-N 3.19Å; R75-E79 WeakPolarHBondContact CD-OE1 3.32Å; R75-E79 HydrophobicContact CG-CG 4.48Å; R75-E79 WeakPolarHBondContact CG-OE1 3.36Å; R75-E79 IonicContact CZ-OE1 3.61Å; R75-E79 IonicContact NE-OE1 2.68Å; R75-E79 WeakPolarHBondContact O-CG 3.43Å; R75-E79 PolarHBondContact O-N 3.44Å |
| 76 | E | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 105.5 Ų | 105.5 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 179.3 | -72.1 | 169.5 | 173.7 | 0 | 0 | 111.8 | V72 S73 L78 E79 Q80 | V72-E76 HydrophobicContact CG1-CG 4.4Å; V72-E76 WeakPolarHBondContact CG1-OE1 3.34Å; V72-E76 WeakPolarHBondContact O-CG 3.26Å; V72-E76 PolarHBondContact O-N 3.37Å; S73-E76 PolarHBondContact O-N 3.46Å; E76-L78 PolarHBondContact O-N 2.95Å; E76-E79 PolarHBondContact O-N 3.4Å; E76-Q80 WeakPolarHBondContact O-CB 3.38Å; E76-Q80 PolarHBondContact O-N 3.12Å |
| 77 | A | 98.8 | Very high | 98.7 | Very high | 52 Ų | 52 | 109.7 Ų | 109.7 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | S73 Q74 R75 Q80 Q81 | S73-A77 WeakPolarHBondContact O-CB 3.45Å; S73-A77 PolarHBondContact O-N 2.92Å; Q74-A77 PolarHBondContact O-N 3.31Å; R75-A77 VanDerWaalsContact C-N 3.32Å; R75-A77 PolarHBondContact O-N 3.4Å; A77-Q80 PolarHBondContact O-N 3.48Å; A77-Q81 WeakPolarHBondContact O-CG 3.4Å; A77-Q81 PolarHBondContact O-N 3.48Å |
| 78 | L | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 110.5 Ų | 110.5 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 176.5 | -70.8 | 171.3 | 0 | 0 | 0 | 112.3 | Q74 R75 E76 Q80 Q81 K82 | Q74-L78 HydrophobicContact CG-CD1 4.4Å; Q74-L78 WeakPolarHBondContact O-CG 3.42Å; Q74-L78 PolarHBondContact O-N 2.91Å; Q74-L78 VanDerWaalsContact O-N 3.08Å; R75-L78 PolarHBondContact O-N 3.19Å; E76-L78 PolarHBondContact O-N 2.95Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.33Å; L78-Q81 PolarHBondContact O-N 2.94Å; L78-K82 WeakPolarHBondContact O-CB 3.41Å; L78-K82 PolarHBondContact O-N 2.95Å |
| 79 | E | 98.8 | Very high | 98.7 | Very high | 84 Ų | 84 | 107.1 Ų | 107.1 | 39% | 0.393 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 175.3 | -74.6 | 174.4 | -170.6 | 0 | 0 | 111.8 | R75 E76 K83 | R75-E79 WeakPolarHBondContact CD-OE1 3.32Å; R75-E79 HydrophobicContact CG-CG 4.48Å; R75-E79 WeakPolarHBondContact CG-OE1 3.36Å; R75-E79 IonicContact CZ-OE1 3.61Å; R75-E79 IonicContact NE-OE1 2.68Å; R75-E79 WeakPolarHBondContact O-CG 3.43Å; R75-E79 PolarHBondContact O-N 3.44Å; E76-E79 PolarHBondContact O-N 3.4Å; E79-K83 WeakPolarHBondContact O-CG 3.35Å; E79-K83 PolarHBondContact O-N 2.92Å; E79-K83 VanDerWaalsContact O-N 3.12Å |
| 80 | Q | 98.8 | Very high | 98.7 | Very high | 79 Ų | 79 | 107.7 Ų | 107.7 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -47.7 | 175 | -177.6 | 59.1 | 26.9 | 0 | 0 | 111.5 | E76 A77 L78 K82 K83 E84 | E76-Q80 WeakPolarHBondContact O-CB 3.38Å; E76-Q80 PolarHBondContact O-N 3.12Å; A77-Q80 PolarHBondContact O-N 3.48Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.33Å; Q80-K82 VanDerWaalsContact C-N 3.3Å; Q80-K82 PolarHBondContact O-N 3.26Å; Q80-K83 WeakPolarHBondContact O-CB 3.36Å; Q80-K83 PolarHBondContact O-N 2.94Å; Q80-K83 VanDerWaalsContact O-N 3.11Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.37Å; Q80-E84 PolarHBondContact NE2-OE1 2.94Å; Q80-E84 WeakPolarHBondContact O-CG 3.41Å; Q80-E84 PolarHBondContact O-N 3.32Å |
| 81 | Q | 98.8 | Very high | 98.7 | Very high | 107 Ų | 107 | 105.1 Ų | 105.1 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 175.6 | -74.8 | -176.5 | -35.7 | 0 | 0 | 112 | A77 L78 K83 E84 L85 | A77-Q81 WeakPolarHBondContact O-CG 3.4Å; A77-Q81 PolarHBondContact O-N 3.48Å; L78-Q81 PolarHBondContact O-N 2.94Å; Q81-K83 VanDerWaalsContact C-N 3.35Å; Q81-K83 PolarHBondContact O-N 3.31Å; Q81-E84 PolarHBondContact O-N 2.89Å; Q81-L85 WeakPolarHBondContact O-CB 3.35Å; Q81-L85 WeakPolarHBondContact O-CG 3.35Å; Q81-L85 PolarHBondContact O-N 2.96Å |
| 82 | K | 98.7 | Very high | 98.7 | Very high | 145 Ų | 145 | 101.6 Ų | 101.6 | 63% | 0.63 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.8 | -45.9 | 175.1 | -179.3 | -175.3 | 173.6 | -176.8 | 0 | 111.5 | L78 Q80 L85 Q86 | L78-K82 WeakPolarHBondContact O-CB 3.41Å; L78-K82 PolarHBondContact O-N 2.95Å; Q80-K82 VanDerWaalsContact C-N 3.3Å; Q80-K82 PolarHBondContact O-N 3.26Å; K82-L85 PolarHBondContact O-N 3.05Å; K82-Q86 WeakPolarHBondContact O-CB 3.49Å; K82-Q86 PolarHBondContact O-N 2.9Å |
| 83 | K | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 100.5 Ų | 100.5 | 46% | 0.457 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 178.9 | -72.9 | 171.2 | -175.6 | 171.5 | 0 | 111.8 | E79 Q80 Q81 Q86 R87 | E79-K83 WeakPolarHBondContact O-CG 3.35Å; E79-K83 PolarHBondContact O-N 2.92Å; E79-K83 VanDerWaalsContact O-N 3.12Å; Q80-K83 WeakPolarHBondContact O-CB 3.36Å; Q80-K83 PolarHBondContact O-N 2.94Å; Q80-K83 VanDerWaalsContact O-N 3.11Å; Q81-K83 VanDerWaalsContact C-N 3.35Å; Q81-K83 PolarHBondContact O-N 3.31Å; K83-Q86 PolarHBondContact O-N 3.36Å; K83-R87 WeakPolarHBondContact O-CG 3.49Å; K83-R87 PolarHBondContact O-N 3.48Å |
| 84 | E | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 102.5 Ų | 102.5 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -48.7 | 177.2 | -73.5 | 167.9 | -171.8 | 0 | 0 | 111.5 | Q80 Q81 Q86 R87 E88 | Q80-E84 WeakPolarHBondContact CG-OE1 3.37Å; Q80-E84 PolarHBondContact NE2-OE1 2.94Å; Q80-E84 WeakPolarHBondContact O-CG 3.41Å; Q80-E84 PolarHBondContact O-N 3.32Å; Q81-E84 PolarHBondContact O-N 2.89Å; E84-Q86 VanDerWaalsContact C-N 3.3Å; E84-Q86 PolarHBondContact O-N 3.45Å; E84-R87 PolarHBondContact O-N 3.4Å; E84-E88 PolarHBondContact O-N 3.21Å |
| 85 | L | 98.8 | Very high | 98.7 | Very high | 120 Ų | 120 | 100.5 Ų | 100.5 | 63% | 0.628 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.1 | -39.1 | 176.2 | -71.5 | 172.6 | 0 | 0 | 0 | 112.1 | Q81 K82 E88 V89 | Q81-L85 WeakPolarHBondContact O-CB 3.35Å; Q81-L85 WeakPolarHBondContact O-CG 3.35Å; Q81-L85 PolarHBondContact O-N 2.96Å; K82-L85 PolarHBondContact O-N 3.05Å; L85-E88 PolarHBondContact O-N 3.11Å; L85-V89 WeakPolarHBondContact O-CG2 3.45Å; L85-V89 PolarHBondContact O-N 2.68Å |
| 86 | Q | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 97.3 Ų | 97.3 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 178 | -173.9 | 166.8 | -8.8 | 0 | 0 | 112.1 | K82 K83 E84 E88 V89 E90 | K82-Q86 WeakPolarHBondContact O-CB 3.49Å; K82-Q86 PolarHBondContact O-N 2.9Å; K83-Q86 PolarHBondContact O-N 3.36Å; E84-Q86 VanDerWaalsContact C-N 3.3Å; E84-Q86 PolarHBondContact O-N 3.45Å; Q86-E88 VanDerWaalsContact C-N 3.29Å; Q86-E88 PolarHBondContact O-N 2.88Å; Q86-V89 PolarHBondContact O-N 3.48Å; Q86-E90 WeakPolarHBondContact O-CG 3.4Å; Q86-E90 PolarHBondContact O-N 3.43Å |
| 87 | R | 98.8 | Very high | 98.7 | Very high | 151 Ų | 151 | 94.3 Ų | 94.3 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.2 | -39.6 | 173.6 | -70.5 | 170.5 | -174.4 | 158.4 | -0.3 | 112 | K83 E84 E90 R91 | K83-R87 WeakPolarHBondContact O-CG 3.49Å; K83-R87 PolarHBondContact O-N 3.48Å; E84-R87 PolarHBondContact O-N 3.4Å; R87-E90 PolarHBondContact O-N 3.02Å; R87-R91 WeakPolarHBondContact O-CB 3.46Å; R87-R91 PolarHBondContact O-N 3.38Å |
| 88 | E | 98.7 | Very high | 98.7 | Very high | 78 Ų | 78 | 93 Ų | 93 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.1 | -41 | 179.2 | -176.9 | 59.5 | -169.8 | 0 | 0 | 111.9 | E84 L85 Q86 E90 R91 L92 | E84-E88 PolarHBondContact O-N 3.21Å; L85-E88 PolarHBondContact O-N 3.11Å; Q86-E88 VanDerWaalsContact C-N 3.29Å; Q86-E88 PolarHBondContact O-N 2.88Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E88-E90 PolarHBondContact O-N 2.92Å; E88-R91 PolarHBondContact O-N 3.35Å; E88-R91 IonicContact OE1-CZ 3.52Å; E88-R91 IonicContact OE1-NE 3.64Å; E88-R91 IonicContact OE1-NH2 3.5Å; E88-R91 PolarHBondContact OE1-NH2 2.87Å; E88-R91 IonicContact OE2-CZ 2.87Å; E88-R91 IonicContact OE2-NE 3.56Å; E88-R91 PolarHBondContact OE2-NE 3.36Å; E88-R91 IonicContact OE2-NH2 3.99Å; E88-L92 HydrophobicContact CG-CD1 4.12Å; E88-L92 WeakPolarHBondContact O-CB 3.49Å; E88-L92 VanDerWaalsContact O-CG 3.3Å; E88-L92 WeakPolarHBondContact O-CG 3.38Å; E88-L92 PolarHBondContact O-N 2.89Å |
| 89 | V | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 93.3 Ų | 93.3 | 62% | 0.624 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.3 | -44.4 | 172.9 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | L85 Q86 G93 | L85-V89 WeakPolarHBondContact O-CG2 3.45Å; L85-V89 PolarHBondContact O-N 2.68Å; Q86-V89 PolarHBondContact O-N 3.48Å; V89-G93 PolarHBondContact O-N 3.04Å |
| 90 | E | 98.7 | Very high | 98.7 | Very high | 114 Ų | 114 | 97.3 Ų | 97.3 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 177.4 | -72.6 | 168.9 | -165.1 | 0 | 0 | 111.5 | Q86 R87 E88 G93 V94 | Q86-E90 WeakPolarHBondContact O-CG 3.4Å; Q86-E90 PolarHBondContact O-N 3.43Å; R87-E90 PolarHBondContact O-N 3.02Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E88-E90 PolarHBondContact O-N 2.92Å; E90-G93 PolarHBondContact O-N 3.35Å; E90-V94 WeakPolarHBondContact O-CG2 3.3Å; E90-V94 PolarHBondContact O-N 3.27Å |
| 91 | R | 98.7 | Very high | 98.6 | Very high | 107 Ų | 107 | 102.1 Ų | 102.1 | 40% | 0.404 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.7 | -52.2 | 176.8 | -173.2 | -170.7 | 72.8 | 81.3 | 2.6 | 111.5 | R87 E88 G93 V94 E95 | R87-R91 WeakPolarHBondContact O-CB 3.46Å; R87-R91 PolarHBondContact O-N 3.38Å; E88-R91 PolarHBondContact O-N 3.35Å; E88-R91 IonicContact OE1-CZ 3.52Å; E88-R91 IonicContact OE1-NE 3.64Å; E88-R91 IonicContact OE1-NH2 3.5Å; E88-R91 PolarHBondContact OE1-NH2 2.87Å; E88-R91 IonicContact OE2-CZ 2.87Å; E88-R91 IonicContact OE2-NE 3.56Å; E88-R91 PolarHBondContact OE2-NE 3.36Å; E88-R91 IonicContact OE2-NH2 3.99Å; R91-G93 VanDerWaalsContact C-N 3.26Å; R91-G93 PolarHBondContact O-N 3.03Å; R91-V94 PolarHBondContact O-N 2.81Å; R91-E95 IonicContact CZ-OE1 3.61Å; R91-E95 IonicContact CZ-OE2 3.74Å; R91-E95 IonicContact NH1-OE1 2.58Å; R91-E95 PolarHBondContact NH1-OE1 3.5Å; R91-E95 IonicContact NH1-OE2 2.86Å; R91-E95 PolarHBondContact NH1-OE2 3.19Å; R91-E95 PolarHBondContact O-N 2.96Å |
| 92 | L | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 103.4 Ų | 103.4 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -34.6 | 178.2 | -70.6 | 173.8 | 0 | 0 | 0 | 111.9 | E88 E95 N96 | E88-L92 HydrophobicContact CG-CD1 4.12Å; E88-L92 WeakPolarHBondContact O-CB 3.49Å; E88-L92 VanDerWaalsContact O-CG 3.3Å; E88-L92 WeakPolarHBondContact O-CG 3.38Å; E88-L92 PolarHBondContact O-N 2.89Å; L92-E95 PolarHBondContact O-N 3.25Å; L92-N96 VanDerWaalsContact O-CB 3.24Å; L92-N96 WeakPolarHBondContact O-CB 3.47Å; L92-N96 PolarHBondContact O-N 3.49Å |
| 93 | G | 98.7 | Very high | 98.6 | Very high | 42 Ų | 42 | 102.4 Ų | 102.4 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V89 E90 R91 A97 | V89-G93 PolarHBondContact O-N 3.04Å; E90-G93 PolarHBondContact O-N 3.35Å; R91-G93 VanDerWaalsContact C-N 3.26Å; R91-G93 PolarHBondContact O-N 3.03Å; G93-A97 WeakPolarHBondContact O-CB 3.46Å; G93-A97 PolarHBondContact O-N 2.86Å |
| 94 | V | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 104.3 Ų | 104.3 | 67% | 0.673 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -46 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | E90 R91 N96 A97 G98 | E90-V94 WeakPolarHBondContact O-CG2 3.3Å; E90-V94 PolarHBondContact O-N 3.27Å; R91-V94 PolarHBondContact O-N 2.81Å; V94-N96 PolarHBondContact O-N 2.93Å; V94-A97 PolarHBondContact O-N 2.58Å; V94-G98 PolarHBondContact O-N 3.2Å |
| 95 | E | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 101.2 Ų | 101.2 | 41% | 0.411 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 178.7 | -75.6 | 169.9 | -160.8 | 0 | 0 | 112.1 | R91 L92 A97 G98 M99 | R91-E95 IonicContact CZ-OE1 3.61Å; R91-E95 IonicContact CZ-OE2 3.74Å; R91-E95 IonicContact NH1-OE1 2.58Å; R91-E95 PolarHBondContact NH1-OE1 3.5Å; R91-E95 IonicContact NH1-OE2 2.86Å; R91-E95 PolarHBondContact NH1-OE2 3.19Å; R91-E95 PolarHBondContact O-N 2.96Å; L92-E95 PolarHBondContact O-N 3.25Å; E95-A97 PolarHBondContact O-N 3.38Å; E95-G98 PolarHBondContact O-N 3.44Å; E95-M99 WeakPolarHBondContact O-CG 3.29Å; E95-M99 PolarHBondContact O-N 2.88Å |
| 96 | N | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 100.7 Ų | 100.7 | 40% | 0.396 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 177.1 | -162.8 | -50 | 0 | 0 | 0 | 111.6 | L92 V94 G98 M99 R100 | L92-N96 VanDerWaalsContact O-CB 3.24Å; L92-N96 WeakPolarHBondContact O-CB 3.47Å; L92-N96 PolarHBondContact O-N 3.49Å; V94-N96 PolarHBondContact O-N 2.93Å; N96-G98 VanDerWaalsContact C-N 3.3Å; N96-G98 PolarHBondContact O-N 3.44Å; N96-M99 PolarHBondContact O-N 3.05Å; N96-R100 WeakPolarHBondContact O-CB 3.44Å; N96-R100 VanDerWaalsContact O-CG 3.29Å; N96-R100 WeakPolarHBondContact O-CG 3.4Å; N96-R100 PolarHBondContact O-N 3.32Å; N96-R100 WeakPolarHBondContact OD1-CD 3.24Å; N96-R100 PolarHBondContact OD1-NE 2.91Å |
| 97 | A | 98.5 | Very high | 98.4 | Very high | 39 Ų | 39 | 97.6 Ų | 97.6 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G93 V94 E95 R101 | G93-A97 WeakPolarHBondContact O-CB 3.46Å; G93-A97 PolarHBondContact O-N 2.86Å; V94-A97 PolarHBondContact O-N 2.58Å; E95-A97 PolarHBondContact O-N 3.38Å; A97-R101 WeakPolarHBondContact O-CG 3.41Å; A97-R101 PolarHBondContact O-N 3.2Å |
| 98 | G | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 93.4 Ų | 93.4 | 25% | 0.247 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -59.4 | -55.5 | 172.8 | 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 3.44Å; N96-G98 VanDerWaalsContact C-N 3.3Å; N96-G98 PolarHBondContact O-N 3.44Å; G98-R100 VanDerWaalsContact C-N 3.26Å; G98-R100 PolarHBondContact O-N 3.03Å; G98-R101 WeakPolarHBondContact O-CB 3.46Å; G98-R101 PolarHBondContact O-N 2.96Å; G98-R101 VanDerWaalsContact O-N 3.08Å; G98-E102 PolarHBondContact O-N 3.37Å |
| 99 | M | 98.4 | Very high | 98.3 | Very high | 106 Ų | 106 | 98.4 Ų | 98.4 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.9 | -37.8 | 179.1 | -69.9 | -172.3 | -71.3 | 0 | 0 | 112.7 | E95 N96 E102 L103 | E95-M99 WeakPolarHBondContact O-CG 3.29Å; E95-M99 PolarHBondContact O-N 2.88Å; N96-M99 PolarHBondContact O-N 3.05Å; M99-E102 PolarHBondContact O-N 3.5Å; M99-L103 WeakPolarHBondContact O-CG 3.47Å; M99-L103 PolarHBondContact O-N 3.46Å |
| 100 | R | 98.4 | Very high | 98.2 | Very high | 167 Ų | 167 | 98.3 Ų | 98.3 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 176.1 | -76.6 | 174.8 | 176.9 | -86.7 | -0 | 112.6 | N96 G98 E102 L103 E104 | N96-R100 WeakPolarHBondContact O-CB 3.44Å; N96-R100 VanDerWaalsContact O-CG 3.29Å; N96-R100 WeakPolarHBondContact O-CG 3.4Å; N96-R100 PolarHBondContact O-N 3.32Å; N96-R100 WeakPolarHBondContact OD1-CD 3.24Å; N96-R100 PolarHBondContact OD1-NE 2.91Å; G98-R100 VanDerWaalsContact C-N 3.26Å; G98-R100 PolarHBondContact O-N 3.03Å; R100-E102 VanDerWaalsContact C-N 3.34Å; R100-L103 PolarHBondContact O-N 3.27Å; R100-E104 WeakPolarHBondContact O-CB 3.41Å; R100-E104 PolarHBondContact O-N 3.47Å |
| 101 | R | 98.3 | Very high | 98.2 | Very high | 180 Ų | 180 | 94.2 Ų | 94.2 | 68% | 0.679 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.8 | -39.3 | 176 | -71.3 | 178.8 | -172.6 | 136.2 | 0.4 | 111.8 | A97 G98 E104 G105 | A97-R101 WeakPolarHBondContact O-CG 3.41Å; A97-R101 PolarHBondContact O-N 3.2Å; G98-R101 WeakPolarHBondContact O-CB 3.46Å; G98-R101 PolarHBondContact O-N 2.96Å; G98-R101 VanDerWaalsContact O-N 3.08Å; R101-E104 PolarHBondContact O-N 3.25Å; R101-G105 PolarHBondContact O-N 2.95Å |
| 102 | E | 98.2 | Very high | 98 | Very high | 135 Ų | 135 | 91.7 Ų | 91.7 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.2 | -46.1 | 175.6 | -70.2 | 178.3 | -166.1 | 0 | 0 | 111.5 | G98 M99 R100 E104 G105 L106 | G98-E102 PolarHBondContact O-N 3.37Å; M99-E102 PolarHBondContact O-N 3.5Å; R100-E102 VanDerWaalsContact C-N 3.34Å; E102-E104 PolarHBondContact O-N 2.92Å; E102-G105 PolarHBondContact O-N 3.43Å; E102-L106 WeakPolarHBondContact O-CG 3.5Å; E102-L106 PolarHBondContact O-N 2.88Å |
| 103 | L | 98.4 | Very high | 97.9 | Very high | 123 Ų | 123 | 93.6 Ų | 93.6 | 64% | 0.644 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.9 | -44 | 175.3 | -76.5 | 173 | 0 | 0 | 0 | 112.3 | M99 R100 L106 G107 | M99-L103 WeakPolarHBondContact O-CG 3.47Å; M99-L103 PolarHBondContact O-N 3.46Å; R100-L103 PolarHBondContact O-N 3.27Å; L103-L106 PolarHBondContact O-N 2.87Å; L103-G107 PolarHBondContact O-N 3.43Å |
| 104 | E | 97.9 | Very high | 97.8 | Very high | 146 Ų | 146 | 96.4 Ų | 96.4 | 68% | 0.682 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -46.2 | 175.3 | -176.2 | -179.8 | -174.5 | 0 | 0 | 111.4 | R100 R101 E102 L106 G107 A108 | R100-E104 WeakPolarHBondContact O-CB 3.41Å; R100-E104 PolarHBondContact O-N 3.47Å; R101-E104 PolarHBondContact O-N 3.25Å; E102-E104 PolarHBondContact O-N 2.92Å; E104-L106 PolarHBondContact O-N 3.47Å; E104-G107 PolarHBondContact O-N 3.4Å; E104-A108 WeakPolarHBondContact O-CB 3.47Å; E104-A108 PolarHBondContact O-N 3.06Å |
| 105 | G | 97.9 | Very high | 97.6 | Very high | 33 Ų | 33 | 100.3 Ų | 100.3 | 34% | 0.34 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | R101 E102 R109 | R101-G105 PolarHBondContact O-N 2.95Å; E102-G105 PolarHBondContact O-N 3.43Å; G105-R109 WeakPolarHBondContact O-CG 3.38Å; G105-R109 PolarHBondContact O-N 3.46Å; G105-R109 VanDerWaalsContact O-N 3.15Å |
| 106 | L | 97.9 | Very high | 97.3 | Very high | 108 Ų | 108 | 102.6 Ų | 102.6 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.2 | -42.7 | 174.7 | -70.3 | 174.2 | 0 | 0 | 0 | 111.7 | E102 L103 E104 A108 R109 L110 | E102-L106 WeakPolarHBondContact O-CG 3.5Å; E102-L106 PolarHBondContact O-N 2.88Å; L103-L106 PolarHBondContact O-N 2.87Å; E104-L106 PolarHBondContact O-N 3.47Å; L106-A108 VanDerWaalsContact C-N 3.35Å; L106-A108 PolarHBondContact O-N 3.08Å; L106-R109 PolarHBondContact O-N 2.99Å; L106-L110 PolarHBondContact O-N 2.91Å |
| 107 | G | 97.9 | Very high | 97 | Very high | 38 Ų | 38 | 101.1 Ų | 101.1 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L103 E104 R109 L110 A111 | L103-G107 PolarHBondContact O-N 3.43Å; E104-G107 PolarHBondContact O-N 3.4Å; G107-R109 PolarHBondContact O-N 2.95Å; G107-L110 PolarHBondContact O-N 2.9Å; G107-A111 WeakPolarHBondContact O-CB 3.42Å; G107-A111 PolarHBondContact O-N 3.34Å |
| 108 | A | 97.6 | Very high | 96.7 | Very high | 63 Ų | 63 | 107.7 Ų | 107.7 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E104 L106 A111 A112 | E104-A108 WeakPolarHBondContact O-CB 3.47Å; E104-A108 PolarHBondContact O-N 3.06Å; L106-A108 VanDerWaalsContact C-N 3.35Å; L106-A108 PolarHBondContact O-N 3.08Å; A108-A111 PolarHBondContact O-N 2.98Å; A108-A112 PolarHBondContact O-N 3.27Å |
| 109 | R | 97 | Very high | 96 | Very high | 184 Ų | 184 | 108.9 Ų | 108.9 | 69% | 0.694 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.2 | -45.8 | 175.8 | -70.8 | 175.3 | -171.8 | -154.9 | 3.2 | 111.7 | G105 L106 G107 A111 A112 L113 | G105-R109 WeakPolarHBondContact O-CG 3.38Å; G105-R109 PolarHBondContact O-N 3.46Å; G105-R109 VanDerWaalsContact O-N 3.15Å; L106-R109 PolarHBondContact O-N 2.99Å; G107-R109 PolarHBondContact O-N 2.95Å; R109-A111 PolarHBondContact O-N 3.36Å; R109-A112 PolarHBondContact O-N 2.99Å; R109-L113 WeakPolarHBondContact O-CG 3.36Å; R109-L113 PolarHBondContact O-N 3.43Å |
| 110 | L | 97.7 | Very high | 95.4 | Very high | 100 Ų | 100 | 109.1 Ų | 109.1 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 176.9 | -176.7 | 120.1 | 0 | 0 | 0 | 111.3 | L106 G107 A112 L113 Q114 | L106-L110 PolarHBondContact O-N 2.91Å; G107-L110 PolarHBondContact O-N 2.9Å; L110-A112 VanDerWaalsContact C-N 3.32Å; L110-A112 PolarHBondContact O-N 3.26Å; L110-L113 PolarHBondContact O-N 3.41Å; L110-Q114 WeakPolarHBondContact O-CG 3.29Å; L110-Q114 PolarHBondContact O-N 3.43Å |
| 111 | A | 96.8 | Very high | 94.3 | Very high | 29 Ų | 29 | 108.8 Ų | 108.8 | 24% | 0.24 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -61.5 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G107 A108 R109 Q114 R115 | G107-A111 WeakPolarHBondContact O-CB 3.42Å; G107-A111 PolarHBondContact O-N 3.34Å; A108-A111 PolarHBondContact O-N 2.98Å; R109-A111 PolarHBondContact O-N 3.36Å; A111-Q114 PolarHBondContact O-N 2.93Å; A111-R115 VanDerWaalsContact O-CG 3.29Å; A111-R115 WeakPolarHBondContact O-CG 3.35Å; A111-R115 PolarHBondContact O-N 3.15Å |
| 112 | A | 96.3 | Very high | 92.9 | Very high | 54 Ų | 54 | 105.7 Ų | 105.7 | 45% | 0.446 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.1 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A108 R109 L110 R115 F116 | A108-A112 PolarHBondContact O-N 3.27Å; R109-A112 PolarHBondContact O-N 2.99Å; L110-A112 VanDerWaalsContact C-N 3.32Å; L110-A112 PolarHBondContact O-N 3.26Å; A112-R115 PolarHBondContact O-N 3.3Å; A112-F116 WeakPolarHBondContact O-CB 3.37Å; A112-F116 PolarHBondContact O-N 2.89Å |
| 113 | L | 96.3 | Very high | 90.9 | Very high | 121 Ų | 121 | 101.1 Ų | 101.1 | 63% | 0.634 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 176.3 | -67.7 | 173.9 | 0 | 0 | 0 | 112.1 | R109 L110 F116 A117 | R109-L113 WeakPolarHBondContact O-CG 3.36Å; R109-L113 PolarHBondContact O-N 3.43Å; L110-L113 PolarHBondContact O-N 3.41Å; L113-F116 WeakPolarHBondContact O-CB 3.34Å; L113-F116 PolarHBondContact O-N 3.49Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.22Å |
| 114 | Q | 95.5 | Very high | 88.7 | Confident | 102 Ų | 102 | 98.7 Ų | 98.7 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.9 | -41.7 | 176.2 | -74.1 | 176.3 | -18.3 | 0 | 0 | 112.4 | L110 A111 F116 A117 R118 | L110-Q114 WeakPolarHBondContact O-CG 3.29Å; L110-Q114 PolarHBondContact O-N 3.43Å; A111-Q114 PolarHBondContact O-N 2.93Å; Q114-F116 VanDerWaalsContact C-N 3.34Å; Q114-A117 PolarHBondContact O-N 3.03Å; Q114-R118 WeakPolarHBondContact O-CG 3.42Å; Q114-R118 PolarHBondContact O-N 3.25Å |
| 115 | R | 94.5 | Very high | 86.6 | Confident | 192 Ų | 192 | 95.6 Ų | 95.6 | 73% | 0.725 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.2 | -43.4 | 174.5 | -72.5 | 172.3 | -168 | 167.3 | 4 | 111.3 | A111 A112 R118 G119 | A111-R115 VanDerWaalsContact O-CG 3.29Å; A111-R115 WeakPolarHBondContact O-CG 3.35Å; A111-R115 PolarHBondContact O-N 3.15Å; A112-R115 PolarHBondContact O-N 3.3Å; R115-R118 PolarHBondContact O-N 3.12Å; R115-G119 PolarHBondContact O-N 3.13Å |
| 116 | F | 92.5 | Very high | 84.3 | Confident | 137 Ų | 137 | 101.3 Ų | 101.3 | 60% | 0.601 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.2 | -51.1 | 176.2 | 177.5 | -103.5 | 0 | 0 | 0 | 111.4 | A112 L113 Q114 R118 G119 L120 | A112-F116 WeakPolarHBondContact O-CB 3.37Å; A112-F116 PolarHBondContact O-N 2.89Å; L113-F116 WeakPolarHBondContact O-CB 3.34Å; L113-F116 PolarHBondContact O-N 3.49Å; Q114-F116 VanDerWaalsContact C-N 3.34Å; F116-R118 PolarHBondContact O-N 3.43Å; F116-G119 PolarHBondContact O-N 3.4Å; F116-G119 VanDerWaalsContact O-N 3.12Å; F116-L120 HydrophobicContact CD1-CD1 4.18Å; F116-L120 HydrophobicContact CE1-CD1 3.64Å; F116-L120 HydrophobicContact CE1-CG 4.34Å; F116-L120 HydrophobicContact CZ-CD1 3.97Å; F116-L120 HydrophobicContact CZ-CD2 4.29Å; F116-L120 HydrophobicContact CZ-CG 4.35Å; F116-L120 PolarHBondContact O-N 2.97Å; F116-L120 VanDerWaalsContact O-N 3.13Å |
| 117 | A | 93.4 | Very high | 82.1 | Confident | 43 Ų | 43 | 103.2 Ų | 103.2 | 36% | 0.355 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -57.8 | -45.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L113 Q114 G119 L120 E121 | L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.22Å; Q114-A117 PolarHBondContact O-N 3.03Å; A117-G119 VanDerWaalsContact C-N 3.32Å; A117-G119 PolarHBondContact O-N 3.12Å; A117-L120 WeakPolarHBondContact O-CB 3.5Å; A117-L120 PolarHBondContact O-N 3.41Å; A117-L120 VanDerWaalsContact O-N 3.12Å; A117-E121 PolarHBondContact O-N 3.49Å; A117-E121 VanDerWaalsContact O-N 3.12Å |
| 118 | R | 91.6 | Very high | 79.8 | Confident | 177 Ų | 177 | 110.2 Ų | 110.2 | 67% | 0.668 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.9 | -36.3 | 175.5 | -74.9 | -178.9 | -176.6 | 173.5 | 2.2 | 113.3 | Q114 R115 F116 L120 E121 S122 | Q114-R118 WeakPolarHBondContact O-CG 3.42Å; Q114-R118 PolarHBondContact O-N 3.25Å; R115-R118 PolarHBondContact O-N 3.12Å; F116-R118 PolarHBondContact O-N 3.43Å; R118-L120 PolarHBondContact O-N 3.12Å; R118-E121 PolarHBondContact O-N 2.89Å; R118-S122 WeakPolarHBondContact O-CB 3.49Å; R118-S122 PolarHBondContact O-N 3.32Å |
| 119 | G | 84.5 | Confident | 77.8 | Confident | 49 Ų | 49 | 111.1 Ų | 111.1 | 51% | 0.505 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.6 | -34.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R115 F116 A117 G123 | R115-G119 PolarHBondContact O-N 3.13Å; F116-G119 PolarHBondContact O-N 3.4Å; F116-G119 VanDerWaalsContact O-N 3.12Å; A117-G119 VanDerWaalsContact C-N 3.32Å; A117-G119 PolarHBondContact O-N 3.12Å; G119-G123 PolarHBondContact O-N 2.99Å |
| 120 | L | 84.3 | Confident | 75.8 | Confident | 110 Ų | 110 | 108.2 Ų | 108.2 | 58% | 0.576 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.2 | -37.9 | 173.3 | -60.9 | 175.7 | 0 | 0 | 0 | 112.2 | F116 A117 R118 | F116-L120 HydrophobicContact CD1-CD1 4.18Å; F116-L120 HydrophobicContact CE1-CD1 3.64Å; F116-L120 HydrophobicContact CE1-CG 4.34Å; F116-L120 HydrophobicContact CZ-CD1 3.97Å; F116-L120 HydrophobicContact CZ-CD2 4.29Å; F116-L120 HydrophobicContact CZ-CG 4.35Å; F116-L120 PolarHBondContact O-N 2.97Å; F116-L120 VanDerWaalsContact O-N 3.13Å; A117-L120 WeakPolarHBondContact O-CB 3.5Å; A117-L120 PolarHBondContact O-N 3.41Å; A117-L120 VanDerWaalsContact O-N 3.12Å; R118-L120 PolarHBondContact O-N 3.12Å |
| 121 | E | 76.6 | Confident | 73.5 | Confident | 160 Ų | 160 | 107.8 Ų | 107.8 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.2 | -37.2 | -179.6 | -68.2 | 179.8 | 161.9 | 0 | 0 | 113.1 | A117 R118 | A117-E121 PolarHBondContact O-N 3.49Å; A117-E121 VanDerWaalsContact O-N 3.12Å; R118-E121 PolarHBondContact O-N 2.89Å |
| 122 | S | 67.9 | Low | 71.4 | Confident | 116 Ų | 116 | 111.8 Ų | 111.8 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -86.3 | -11.1 | -176.8 | -157.4 | 0 | 0 | 0 | 0 | 113.7 | R118 | R118-S122 WeakPolarHBondContact O-CB 3.49Å; R118-S122 PolarHBondContact O-N 3.32Å |
| 123 | G | 55.7 | Low | 69.6 | Low | 39 Ų | 39 | 120.5 Ų | 120.5 | 40% | 0.402 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -109.6 | 78.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G119 G125 | G119-G123 PolarHBondContact O-N 2.99Å; G123-G125 PolarHBondContact O-N 3Å |
| 124 | G | 52.4 | Low | 67.7 | Low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 70% | 0.696 | S | S | * | * | trans | -52.7 | 121.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N126 | G124-N126 PolarHBondContact O-N 3.22Š| ||
| 125 | G | 53.4 | Low | 65.9 | Low | 82 Ų | 82 | 123.9 Ų | 123.9 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 73 | -6.4 | 144.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | G123 | G123-G125 PolarHBondContact O-N 3Š|
| 126 | N | 50.3 | Low | 64.1 | Low | 153 Ų | 153 | 120.5 Ų | 120.5 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | -128.3 | 21.3 | -170 | -143 | 44.3 | 0 | 0 | 0 | 117.8 | G124 | G124-N126 PolarHBondContact O-N 3.22Š| ||
| 127 | L | 52.3 | Low | 62.2 | Low | 148 Ų | 148 | 117.9 Ų | 117.9 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | trans | -116 | 30.1 | 175.9 | -76.2 | 167.5 | 0 | 0 | 0 | 114.1 | A129 | L127-A129 PolarHBondContact O-N 3.05Š| ||
| 128 | L | 50.1 | Low | 60.4 | Low | 184 Ų | 184 | 120.5 Ų | 120.5 | 96% | 0.963 | 73% | 0.73 | S | S | * | * | trans | -75.5 | 23.8 | 168.9 | -160.9 | 67.8 | 0 | 0 | 0 | 113.1 | ||||
| 129 | A | 54.8 | Low | 59 | Low | 83 Ų | 83 | 118.2 Ų | 118.2 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -151.6 | 61.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L127 | L127-A129 PolarHBondContact O-N 3.05Š|
| 130 | T | 54.2 | Low | 57.7 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 172.2 | 75.8 | 144.5 | 41.3 | 0 | 0 | 0 | 0 | 109 | P132 | T130-P132 WeakPolarHBondContact O-CD 3.5Š| ||
| 131 | A | 50.3 | Low | 56.4 | Low | 91 Ų | 91 | 122.8 Ų | 122.8 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -72 | 122.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | R133 | A131-R133 PolarHBondContact O-N 2.92Å; A131-R133 VanDerWaalsContact O-N 3.14Å | ||
| 132 | P | 51.9 | Low | 55.7 | Low | 113 Ų | 113 | 122.3 Ų | 122.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -67.4 | 117.1 | 167.6 | 28.7 | -29.4 | 0 | 0 | 0 | 106.3 | T130 L134 | T130-P132 WeakPolarHBondContact O-CD 3.5Å; P132-L134 PolarHBondContact O-N 3.14Å | ||
| 133 | R | 58.9 | Low | 55.5 | Low | 238 Ų | 238 | 122.1 Ų | 122.1 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | trans | -63.7 | 100.7 | 169.9 | -72.4 | -160.1 | 167.5 | -137.5 | -1.9 | 107.6 | A131 N135 | A131-R133 PolarHBondContact O-N 2.92Å; A131-R133 VanDerWaalsContact O-N 3.14Å; R133-N135 VanDerWaalsContact C-N 3.31Å; R133-N135 PolarHBondContact O-N 2.99Å | ||
| 134 | L | 55.9 | Low | 56 | Low | 152 Ų | 152 | 129.7 Ų | 129.7 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | -68.3 | 97.7 | 162.9 | -69 | 173.4 | 0 | 0 | 0 | 106.7 | P132 T136 | P132-L134 PolarHBondContact O-N 3.14Å; L134-T136 PolarHBondContact O-N 2.97Å | ||
| 135 | N | 58.2 | Low | 56.9 | Low | 141 Ų | 141 | 131.9 Ų | 131.9 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | -70.4 | 80.9 | 167.9 | 56 | -10.3 | 0 | 0 | 0 | 108.8 | R133 A137 | R133-N135 VanDerWaalsContact C-N 3.31Å; R133-N135 PolarHBondContact O-N 2.99Å; N135-A137 PolarHBondContact O-N 2.81Å | ||
| 136 | T | 57.7 | Low | 57.8 | Low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -71.7 | 78.1 | 164.8 | -51.7 | 0 | 0 | 0 | 0 | 108.5 | L134 S138 | L134-T136 PolarHBondContact O-N 2.97Å; T136-S138 PolarHBondContact O-N 3.1Å; T136-S138 VanDerWaalsContact O-N 3.1Å | ||
| 137 | A | 52.4 | Low | 58.3 | Low | 81 Ų | 81 | 131.9 Ų | 131.9 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | trans | -74.8 | 91.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | N135 V139 | N135-A137 PolarHBondContact O-N 2.81Å; A137-V139 PolarHBondContact O-N 3.5Å; A137-V139 VanDerWaalsContact O-N 3.12Å | ||
| 138 | S | 55 | Low | 58.6 | Low | 99 Ų | 99 | 133.9 Ų | 133.9 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -68.4 | 103.8 | 165.6 | -66 | 0 | 0 | 0 | 0 | 108.5 | T136 I140 | T136-S138 PolarHBondContact O-N 3.1Å; T136-S138 VanDerWaalsContact O-N 3.1Å; S138-I140 PolarHBondContact O-N 3.12Å | ||
| 139 | V | 62.2 | Low | 58.9 | Low | 128 Ų | 128 | 129.6 Ų | 129.6 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -68.7 | 109.5 | 171.2 | 175.8 | 0 | 0 | 0 | 0 | 108 | A137 T141 | A137-V139 PolarHBondContact O-N 3.5Å; A137-V139 VanDerWaalsContact O-N 3.12Å; V139-T141 PolarHBondContact O-N 3.2Å | ||
| 140 | I | 57.4 | Low | 59 | Low | 144 Ų | 144 | 134.2 Ų | 134.2 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -88.9 | 102.5 | 170.6 | -57.6 | 175.4 | 0 | 0 | 0 | 107.2 | S138 I142 | S138-I140 PolarHBondContact O-N 3.12Å; I140-I142 HydrophobicContact CG2-CG1 4.13Å; I140-I142 PolarHBondContact O-N 3.17Å; I140-I142 VanDerWaalsContact O-N 3.17Å | ||
| 141 | T | 57.5 | Low | 59 | Low | 112 Ų | 112 | 134.5 Ų | 134.5 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | -75.7 | 100.4 | 171.6 | -47.1 | 0 | 0 | 0 | 0 | 108.9 | V139 V143 | V139-T141 PolarHBondContact O-N 3.2Å; T141-V143 HydrophobicContact CG2-CG2 4.24Å; T141-V143 PolarHBondContact O-N 3.22Å | ||
| 142 | I | 60.5 | Low | 59.1 | Low | 149 Ų | 149 | 138.3 Ų | 138.3 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -79.3 | 98.8 | 169.2 | -57.2 | 177.2 | 0 | 0 | 0 | 107.4 | I140 K144 | I140-I142 HydrophobicContact CG2-CG1 4.13Å; I140-I142 PolarHBondContact O-N 3.17Å; I140-I142 VanDerWaalsContact O-N 3.17Å; I142-K144 PolarHBondContact O-N 3.21Å | ||
| 143 | V | 63.7 | Low | 59 | Low | 113 Ų | 113 | 144.4 Ų | 144.4 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -72.8 | 108.8 | 170.3 | -177 | 0 | 0 | 0 | 0 | 107.8 | T141 T145 | T141-V143 HydrophobicContact CG2-CG2 4.24Å; T141-V143 PolarHBondContact O-N 3.22Å; V143-T145 PolarHBondContact O-N 3.11Å; V143-T145 VanDerWaalsContact O-N 3.11Å | ||
| 144 | K | 67.2 | Low | 58.7 | Low | 197 Ų | 197 | 142.2 Ų | 142.2 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -73.4 | 99.7 | 173.1 | -174.3 | 154.7 | -177.4 | 163.1 | 0 | 108.9 | I142 | I142-K144 PolarHBondContact O-N 3.21Š| ||
| 145 | T | 71.2 | Confident | 58.5 | Low | 117 Ų | 117 | 144.1 Ų | 144.1 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 131 | 171.9 | 38.7 | 0 | 0 | 0 | 0 | 110.3 | V143 | V143-T145 PolarHBondContact O-N 3.11Å; V143-T145 VanDerWaalsContact O-N 3.11Å |
| 146 | P | 72.2 | Confident | 57.7 | Low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 152.5 | 173.4 | 27.9 | -32.4 | 0 | 0 | 0 | 110.8 | Q148 | P146-Q148 PolarHBondContact O-N 3.33Š|
| 147 | P | 61 | Low | 57.3 | Low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 125.8 | -179.8 | 26.3 | -32.1 | 0 | 0 | 0 | 110.3 | A149 | P147-A149 PolarHBondContact O-N 3.45Š|
| 148 | Q | 57.4 | Low | 57.1 | Low | 191 Ų | 191 | 144.9 Ų | 144.9 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 124.7 | 171.3 | -78.1 | -163.8 | -19 | 0 | 0 | 109.8 | P146 H150 | P146-Q148 PolarHBondContact O-N 3.33Å; Q148-H150 PolarHBondContact O-N 3.36Å |
| 149 | A | 56.3 | Low | 57.2 | Low | 93 Ų | 93 | 147.2 Ų | 147.2 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 120.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | P147 V151 | P147-A149 PolarHBondContact O-N 3.45Å; A149-V151 PolarHBondContact O-N 3.21Å |
| 150 | H | 56.7 | Low | 57 | Low | 180 Ų | 180 | 148.2 Ų | 148.2 | 83% | 0.833 | 83% | 0.83 | S | S | * | * | trans | -76.1 | 102.6 | 177.5 | -151.5 | -72.1 | 0 | 0 | 0 | 108.8 | Q148 Q152 | Q148-H150 PolarHBondContact O-N 3.36Å; H150-Q152 PolarHBondContact O-N 3.36Å | ||
| 151 | V | 55.1 | Low | 57 | Low | 128 Ų | 128 | 148.4 Ų | 148.4 | 78% | 0.776 | 84% | 0.835 | S | S | * | * | trans | -77.8 | 114.1 | 170.8 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | A149 R153 | A149-V151 PolarHBondContact O-N 3.21Å; V151-R153 PolarHBondContact O-N 3.38Å | ||
| 152 | Q | 53.1 | Low | 56.9 | Low | 171 Ų | 171 | 150.5 Ų | 150.5 | 80% | 0.799 | 84% | 0.844 | S | S | * | * | trans | -65.6 | 121.3 | 171.5 | -71.1 | 177.6 | -12.4 | 0 | 0 | 108.7 | H150 E154 | H150-Q152 PolarHBondContact O-N 3.36Å; Q152-E154 PolarHBondContact O-N 3.26Å | ||
| 153 | R | 49.9 | Very low | 56.7 | Low | 241 Ų | 241 | 150.6 Ų | 150.6 | 91% | 0.909 | 85% | 0.849 | S | S | * | * | trans | -68.3 | 112.5 | 165.3 | -91.9 | -175 | 178.6 | 177 | -0.5 | 108 | V151 | V151-R153 PolarHBondContact O-N 3.38Š| ||
| 154 | E | 51 | Low | 56.2 | Low | 192 Ų | 192 | 153.1 Ų | 153.1 | 90% | 0.897 | 86% | 0.86 | S | S | * | * | trans | -65 | 134.8 | 161 | -69.7 | -161.4 | 129.3 | 0 | 0 | 109.8 | Q152 G156 | Q152-E154 PolarHBondContact O-N 3.26Å; E154-G156 PolarHBondContact O-N 3.41Å | ||
| 155 | Q | 52 | Low | 55.4 | Low | 193 Ų | 193 | 150 Ų | 150 | 90% | 0.902 | 86% | 0.86 | S | S | * | * | trans | -76.4 | 113.4 | 174.7 | -63.6 | -178.8 | 15 | 0 | 0 | 108.7 | ||||
| 156 | G | 41.2 | Very low | 54.2 | Low | 88 Ų | 88 | 152.5 Ų | 152.5 | 91% | 0.907 | 87% | 0.871 | S | S | * | * | trans | -97.7 | 95.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | E154 | E154-G156 PolarHBondContact O-N 3.41Š| ||
| 157 | G | 49.3 | Very low | 52.7 | Low | 67 Ų | 67 | 156.3 Ų | 156.3 | 69% | 0.691 | 89% | 0.886 | S | S | * | * | trans | -136.7 | 94.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 158 | S | 49.7 | Very low | 52 | Low | 204 Ų | 204 | 158.9 Ų | 158.9 | 100% | 1.427 | 89% | 0.891 | S | S | * | * | trans | -179.8 | 0 | 139.4 | -75.2 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 158 of 158 residues in 64.7 ms
(Link to these results)