| 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 | 52.3 | Low | 57.2 | Low | 252 Ų | 252 | 148.4 Ų | 148.4 | 100% | 1.241 | 80% | 0.803 | S | S | * | * | 0 | 115.7 | 0 | -88.6 | 170.2 | 160.8 | 0 | 0 | 106.3 | |||||
| 2 | A | 56.5 | Low | 57.6 | Low | 104 Ų | 104 | 148.1 Ų | 148.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 133.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 3 | E | 56.8 | Low | 58.2 | Low | 185 Ų | 185 | 151.2 Ų | 151.2 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 144.3 | 172.7 | -77.7 | -159.4 | 149.4 | 0 | 0 | 110.6 | D5 | E3-D5 PolarHBondContact O-N 3.46Š|
| 4 | P | 60.7 | Low | 59.3 | Low | 88 Ų | 88 | 149.6 Ų | 149.6 | 57% | 0.571 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 122.4 | 176.7 | 29.8 | -29.9 | 0 | 0 | 0 | 109.7 | Y6 | P4-Y6 HydrophobicContact CG-CE2 4.1Å; P4-Y6 VanDerWaalsContact O-CD2 3.3Å; P4-Y6 WeakPolarHBondContact O-CD2 3.45Å; P4-Y6 PolarHBondContact O-N 3.05Å; P4-Y6 VanDerWaalsContact O-N 3.14Å |
| 5 | D | 59.4 | Low | 60.6 | Low | 153 Ų | 153 | 150.8 Ų | 150.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -68.5 | 103.6 | 173 | -137.7 | -0.4 | 0 | 0 | 0 | 108 | E3 L7 | E3-D5 PolarHBondContact O-N 3.46Å; D5-L7 VanDerWaalsContact C-N 3.32Å; D5-L7 PolarHBondContact O-N 3.12Å | ||
| 6 | Y | 60.3 | Low | 61.7 | Low | 197 Ų | 197 | 151.1 Ų | 151.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -72.9 | 95.4 | 172.8 | -65.4 | -87.9 | 0 | 0 | 0 | 106.8 | P4 E8 | P4-Y6 HydrophobicContact CG-CE2 4.1Å; P4-Y6 VanDerWaalsContact O-CD2 3.3Å; P4-Y6 WeakPolarHBondContact O-CD2 3.45Å; P4-Y6 PolarHBondContact O-N 3.05Å; P4-Y6 VanDerWaalsContact O-N 3.14Å; Y6-E8 PolarHBondContact O-N 3.1Å | ||
| 7 | L | 53.3 | Low | 62.9 | Low | 157 Ų | 157 | 149.6 Ų | 149.6 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -46.1 | 109.2 | 169.6 | -68.3 | 170.1 | 0 | 0 | 0 | 108.6 | D5 G9 | D5-L7 VanDerWaalsContact C-N 3.32Å; D5-L7 PolarHBondContact O-N 3.12Å; L7-G9 PolarHBondContact O-N 3.46Å | ||
| 8 | E | 58.4 | Low | 63.7 | Low | 210 Ų | 210 | 152 Ų | 152 | 98% | 0.981 | 80% | 0.801 | S | S | * | * | trans | -70.4 | 54.6 | 164 | -160.3 | 167.4 | -144.8 | 0 | 0 | 108 | Y6 | Y6-E8 PolarHBondContact O-N 3.1Š| ||
| 9 | G | 53.2 | Low | 64.6 | Low | 49 Ų | 49 | 154.7 Ų | 154.7 | 51% | 0.505 | 81% | 0.805 | S | S | . | * | trans | -95.6 | 119.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | L7 C11 | L7-G9 PolarHBondContact O-N 3.46Å; G9-C11 PolarHBondContact O-N 2.7Å; G9-C11 VanDerWaalsContact O-N 3.08Å | ||
| 10 | D | 60.8 | Low | 65.4 | Low | 142 Ų | 142 | 155.6 Ų | 155.6 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -26.5 | 110.5 | 174.1 | -81.7 | -45 | 0 | 0 | 0 | 112.9 | D12 | D10-D12 PolarHBondContact O-N 2.91Š| ||
| 11 | C | 57.7 | Low | 66.3 | Low | 95 Ų | 95 | 155 Ų | 155 | 64% | 0.642 | 81% | 0.806 | S | S | * | * | trans | -70.9 | 62.1 | 166.1 | -69.6 | 0 | 0 | 0 | 0 | 109.5 | G9 E13 L14 | G9-C11 PolarHBondContact O-N 2.7Å; G9-C11 VanDerWaalsContact O-N 3.08Å; C11-E13 PolarHBondContact O-N 3.22Å; C11-L14 HydrophobicContact CB-CB 4.44Å; C11-L14 PolarHBondContact O-N 3.24Å | ||
| 12 | D | 61.5 | Low | 67.9 | Low | 145 Ų | 145 | 146.8 Ų | 146.8 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -8.1 | 172 | -84 | -24 | 0 | 0 | 0 | 112.2 | D10 | D10-D12 PolarHBondContact O-N 2.91Š|
| 13 | E | 65.4 | Low | 69.2 | Low | 189 Ų | 189 | 146.4 Ų | 146.4 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -8.3 | 174.2 | -64.2 | -172.8 | 170.4 | 0 | 0 | 113.8 | C11 I15 | C11-E13 PolarHBondContact O-N 3.22Å; E13-I15 PolarHBondContact O-N 3.47Å |
| 14 | L | 74.2 | Confident | 70.5 | Confident | 129 Ų | 129 | 140.3 Ų | 140.3 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -80.8 | 113.4 | 176.9 | -116.8 | 71.9 | 0 | 0 | 0 | 110.5 | C11 Q16 | C11-L14 HydrophobicContact CB-CB 4.44Å; C11-L14 PolarHBondContact O-N 3.24Å; L14-Q16 PolarHBondContact O-N 3.4Å |
| 15 | I | 78.8 | Confident | 71.6 | Confident | 167 Ų | 167 | 142.7 Ų | 142.7 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | trans | -62.5 | 101.6 | 174.1 | -60.6 | 173.7 | 0 | 0 | 0 | 109.1 | E13 | E13-I15 PolarHBondContact O-N 3.47Š| ||
| 16 | Q | 77.7 | Confident | 72.9 | Confident | 155 Ų | 155 | 139.1 Ų | 139.1 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | trans | -75.2 | 136.6 | 172.3 | -64.5 | -163 | -7.8 | 0 | 0 | 110.4 | L14 K18 | L14-Q16 PolarHBondContact O-N 3.4Å; Q16-K18 PolarHBondContact O-N 3.17Å | ||
| 17 | P | 82.6 | Confident | 74.4 | Confident | 127 Ų | 127 | 132.1 Ų | 132.1 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | trans | -63.8 | 103.6 | 174.2 | 24.3 | -31 | 0 | 0 | 0 | 109.9 | ||||
| 18 | K | 77.1 | Confident | 76.2 | Confident | 192 Ų | 192 | 132.1 Ų | 132.1 | 84% | 0.835 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 125.6 | 173.9 | -69.6 | 179.5 | -178.9 | 174.7 | 0 | 109.1 | Q16 L20 | Q16-K18 PolarHBondContact O-N 3.17Å; K18-L20 PolarHBondContact O-N 3Å; K18-L20 VanDerWaalsContact O-N 3.15Å |
| 19 | K | 81 | Confident | 77.8 | Confident | 204 Ų | 204 | 128.1 Ų | 128.1 | 89% | 0.887 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 118.3 | 173.5 | -65 | -179.8 | -176.7 | 175.8 | 0 | 108.5 | I21 | K19-I21 PolarHBondContact O-N 2.87Š|
| 20 | L | 81 | Confident | 79.8 | Confident | 171 Ų | 171 | 129.9 Ų | 129.9 | 90% | 0.895 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -60 | 130.6 | 174.7 | -65.8 | 174.4 | 0 | 0 | 0 | 109.2 | K18 N22 | K18-L20 PolarHBondContact O-N 3Å; K18-L20 VanDerWaalsContact O-N 3.15Å; L20-N22 PolarHBondContact O-N 3.3Å |
| 21 | I | 82.8 | Confident | 81.4 | Confident | 144 Ų | 144 | 126 Ų | 126 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 119.8 | 178.7 | -62.3 | 168.6 | 0 | 0 | 0 | 107.6 | K19 P23 | K19-I21 PolarHBondContact O-N 2.87Å; I21-P23 VanDerWaalsContact O-CD 3.28Å; I21-P23 WeakPolarHBondContact O-CD 3.34Å |
| 22 | N | 86.3 | Confident | 83.1 | Confident | 79 Ų | 79 | 124 Ų | 124 | 42% | 0.422 | 63% | 0.63 | S | S | . | * | trans | -71.5 | 115.2 | 176.3 | 180 | -22.2 | 0 | 0 | 0 | 109.4 | L20 V24 K25 S26 | L20-N22 PolarHBondContact O-N 3.3Å; N22-V24 PolarHBondContact O-N 2.91Å; N22-V24 VanDerWaalsContact OD1-CB 3.27Å; N22-V24 WeakPolarHBondContact OD1-CB 3.3Å; N22-V24 PolarHBondContact OD1-N 3.02Å; N22-K25 HydrophobicContact CB-CB 4.02Å; N22-K25 HydrophobicContact CB-CG 3.96Å; N22-K25 CarbonylContact O-C 3.59Å; N22-K25 WeakPolarHBondContact O-CA 3.24Å; N22-K25 PolarHBondContact O-N 3.02Å; N22-K25 PolarHBondContact OD1-N 3.48Å; N22-S26 PolarHBondContact O-N 2.92Å | ||
| 23 | P | 84.4 | Confident | 84.5 | Confident | 96 Ų | 96 | 121.4 Ų | 121.4 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.6 | -27.1 | -176.3 | 25.3 | -34.3 | 0 | 0 | 0 | 113.3 | I21 S26 S27 | I21-P23 VanDerWaalsContact O-CD 3.28Å; I21-P23 WeakPolarHBondContact O-CD 3.34Å; P23-S26 VanDerWaalsContact CA-OG 3.28Å; P23-S26 WeakPolarHBondContact CA-OG 3.32Å; P23-S26 PolarHBondContact O-OG 3Å; P23-S27 WeakPolarHBondContact O-CB 3.42Å; P23-S27 PolarHBondContact O-N 3.29Å; P23-S27 VanDerWaalsContact O-N 3.13Å |
| 24 | V | 84.1 | Confident | 85.8 | Confident | 57 Ų | 57 | 117.2 Ų | 117.2 | 35% | 0.345 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.5 | -32.3 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | N22 H30 | N22-V24 PolarHBondContact O-N 2.91Å; N22-V24 VanDerWaalsContact OD1-CB 3.27Å; N22-V24 WeakPolarHBondContact OD1-CB 3.3Å; N22-V24 PolarHBondContact OD1-N 3.02Å; V24-H30 WeakPolarHBondContact CG1-CE1 3.36Å; V24-H30 WeakPolarHBondContact CG1-ND1 3.45Å |
| 25 | K | 84.2 | Confident | 86.7 | Confident | 138 Ų | 138 | 115.9 Ų | 115.9 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -86.5 | -22.8 | 176.7 | -60.7 | -65.1 | -173.8 | 179.9 | 0 | 112.2 | N22 Q31 | N22-K25 HydrophobicContact CB-CB 4.02Å; N22-K25 HydrophobicContact CB-CG 3.96Å; N22-K25 CarbonylContact O-C 3.59Å; N22-K25 WeakPolarHBondContact O-CA 3.24Å; N22-K25 PolarHBondContact O-N 3.02Å; N22-K25 PolarHBondContact OD1-N 3.48Å; K25-Q31 PolarHBondContact O-NE2 2.94Å |
| 26 | S | 85.7 | Confident | 87.2 | Confident | 79 Ų | 79 | 113.1 Ų | 113.1 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -78.6 | -31.8 | 172.6 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | N22 P23 R28 | N22-S26 PolarHBondContact O-N 2.92Å; P23-S26 VanDerWaalsContact CA-OG 3.28Å; P23-S26 WeakPolarHBondContact CA-OG 3.32Å; P23-S26 PolarHBondContact O-OG 3Å; S26-R28 PolarHBondContact O-N 3.35Å |
| 27 | S | 91.6 | Very high | 87.7 | Confident | 49 Ų | 49 | 110.5 Ų | 110.5 | 34% | 0.343 | 56% | 0.555 | S | S | . | * | trans | -77.9 | 109.6 | 178.1 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | P23 N29 H30 Q31 | P23-S27 WeakPolarHBondContact O-CB 3.42Å; P23-S27 PolarHBondContact O-N 3.29Å; P23-S27 VanDerWaalsContact O-N 3.13Å; S27-N29 VanDerWaalsContact C-N 3.33Å; S27-N29 PolarHBondContact O-N 3.44Å; S27-H30 PolarHBondContact O-N 3.21Å; S27-H30 PolarHBondContact OG-N 2.8Å; S27-Q31 PolarHBondContact O-N 3.35Å | ||
| 28 | R | 91.3 | Very high | 87.9 | Confident | 157 Ų | 157 | 107.4 Ų | 107.4 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.1 | -44.4 | 174.5 | -179.3 | 60.3 | -179.6 | -162.8 | -4.7 | 112.2 | S26 H30 Q31 D32 | S26-R28 PolarHBondContact O-N 3.35Å; R28-H30 VanDerWaalsContact C-N 3.29Å; R28-H30 PolarHBondContact O-N 2.86Å; R28-Q31 PolarHBondContact O-N 3.39Å; R28-Q31 VanDerWaalsContact O-N 3.11Å; R28-D32 VanDerWaalsContact CD-OD1 3.31Å; R28-D32 WeakPolarHBondContact CD-OD1 3.38Å; R28-D32 IonicContact CZ-OD1 3.87Å; R28-D32 IonicContact CZ-OD2 2.81Å; R28-D32 IonicContact NE-OD1 3.08Å; R28-D32 PolarHBondContact NE-OD1 3.22Å; R28-D32 IonicContact NE-OD2 3.93Å; R28-D32 PolarHBondContact NE-OD2 2.97Å; R28-D32 VanDerWaalsContact NE-OD2 3.08Å; R28-D32 IonicContact NH2-OD1 2.91Å; R28-D32 WeakPolarHBondContact O-CB 3.4Å; R28-D32 PolarHBondContact O-N 3.04Å; R28-D32 VanDerWaalsContact O-OD1 3.11Å |
| 29 | N | 93.5 | Very high | 88.4 | Confident | 127 Ų | 127 | 102.5 Ų | 102.5 | 68% | 0.679 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.7 | -42.1 | -179.5 | -171 | 40.2 | 0 | 0 | 0 | 112.1 | S27 D32 L33 | S27-N29 VanDerWaalsContact C-N 3.33Å; S27-N29 PolarHBondContact O-N 3.44Å; N29-D32 PolarHBondContact O-N 3.43Å; N29-L33 WeakPolarHBondContact O-CB 3.49Å; N29-L33 PolarHBondContact O-N 3.36Å |
| 30 | H | 94.7 | Very high | 88.6 | Confident | 85 Ų | 85 | 94.9 Ų | 94.9 | 39% | 0.394 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 177.4 | -173.1 | -55.9 | 0 | 0 | 0 | 111.7 | V24 S27 R28 D32 H34 | V24-H30 WeakPolarHBondContact CG1-CE1 3.36Å; V24-H30 WeakPolarHBondContact CG1-ND1 3.45Å; S27-H30 PolarHBondContact O-N 3.21Å; S27-H30 PolarHBondContact OG-N 2.8Å; R28-H30 VanDerWaalsContact C-N 3.29Å; R28-H30 PolarHBondContact O-N 2.86Å; H30-D32 VanDerWaalsContact C-N 3.28Å; H30-D32 PolarHBondContact O-N 2.84Å; H30-H34 WeakPolarHBondContact O-CB 3.44Å; H30-H34 PolarHBondContact O-N 3.35Å |
| 31 | Q | 93.4 | Very high | 88.7 | Confident | 62 Ų | 62 | 92.8 Ų | 92.8 | 29% | 0.29 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 176.4 | -63.8 | -171.1 | 18.9 | 0 | 0 | 111.8 | K25 S27 R28 H34 R35 | K25-Q31 PolarHBondContact O-NE2 2.94Å; S27-Q31 PolarHBondContact O-N 3.35Å; R28-Q31 PolarHBondContact O-N 3.39Å; R28-Q31 VanDerWaalsContact O-N 3.11Å; Q31-H34 PolarHBondContact O-N 2.9Å; Q31-R35 WeakPolarHBondContact O-CG 3.34Å; Q31-R35 PolarHBondContact O-N 3.01Å; Q31-R35 PolarHBondContact O-NH1 3.34Å |
| 32 | D | 93.7 | Very high | 88.6 | Confident | 53 Ų | 53 | 94.4 Ų | 94.4 | 28% | 0.283 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.2 | -45.7 | -177.3 | -66.5 | 4.2 | 0 | 0 | 0 | 110.2 | R28 N29 H30 H34 R35 E36 | R28-D32 VanDerWaalsContact CD-OD1 3.31Å; R28-D32 WeakPolarHBondContact CD-OD1 3.38Å; R28-D32 IonicContact CZ-OD1 3.87Å; R28-D32 IonicContact CZ-OD2 2.81Å; R28-D32 IonicContact NE-OD1 3.08Å; R28-D32 PolarHBondContact NE-OD1 3.22Å; R28-D32 IonicContact NE-OD2 3.93Å; R28-D32 PolarHBondContact NE-OD2 2.97Å; R28-D32 VanDerWaalsContact NE-OD2 3.08Å; R28-D32 IonicContact NH2-OD1 2.91Å; R28-D32 WeakPolarHBondContact O-CB 3.4Å; R28-D32 PolarHBondContact O-N 3.04Å; R28-D32 VanDerWaalsContact O-OD1 3.11Å; N29-D32 PolarHBondContact O-N 3.43Å; H30-D32 VanDerWaalsContact C-N 3.28Å; H30-D32 PolarHBondContact O-N 2.84Å; D32-H34 VanDerWaalsContact C-N 3.34Å; D32-H34 PolarHBondContact O-N 3.3Å; D32-R35 VanDerWaalsContact CG-NH2 3.29Å; D32-R35 PolarHBondContact O-N 3.26Å; D32-R35 IonicContact OD1-CZ 3.54Å; D32-R35 IonicContact OD1-NH1 2.72Å; D32-R35 PolarHBondContact OD1-NH1 3.41Å; D32-R35 IonicContact OD1-NH2 3.97Å; D32-R35 PolarHBondContact OD1-NH2 2.9Å; D32-R35 IonicContact OD2-NH2 2.78Å; D32-E36 PolarHBondContact O-N 3.22Å |
| 33 | L | 91.6 | Very high | 88.5 | Confident | 90 Ų | 90 | 98.7 Ų | 98.7 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | 171.4 | 179.2 | 63 | 0 | 0 | 0 | 112.2 | N29 R35 E36 L37 | N29-L33 WeakPolarHBondContact O-CB 3.49Å; N29-L33 PolarHBondContact O-N 3.36Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 3.18Å; L33-E36 PolarHBondContact O-N 3.32Å; L33-L37 HydrophobicContact CD1-CD1 4.28Å; L33-L37 HydrophobicContact CD1-CG 4.2Å; L33-L37 HydrophobicContact CG-CD1 4.08Å; L33-L37 HydrophobicContact CG-CG 4.42Å; L33-L37 WeakPolarHBondContact O-CB 3.33Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.39Å; L33-L37 PolarHBondContact O-N 3.06Å |
| 34 | H | 92 | Very high | 88 | Confident | 100 Ų | 100 | 96.5 Ų | 96.5 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 177.9 | 177.8 | 72.5 | 0 | 0 | 0 | 112.2 | H30 Q31 D32 I38 | H30-H34 WeakPolarHBondContact O-CB 3.44Å; H30-H34 PolarHBondContact O-N 3.35Å; Q31-H34 PolarHBondContact O-N 2.9Å; D32-H34 VanDerWaalsContact C-N 3.34Å; D32-H34 PolarHBondContact O-N 3.3Å; H34-I38 VanDerWaalsContact NE2-CD1 3.27Å; H34-I38 WeakPolarHBondContact NE2-CD1 3.42Å; H34-I38 WeakPolarHBondContact O-CG1 3.46Å; H34-I38 PolarHBondContact O-N 2.9Å; H34-I38 VanDerWaalsContact O-N 3.13Å |
| 35 | R | 93.5 | Very high | 87.5 | Confident | 102 Ų | 102 | 99.7 Ų | 99.7 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 175.4 | -69.9 | -165.4 | -50.8 | -81.1 | 6.3 | 111.1 | Q31 D32 L33 I38 M39 | Q31-R35 WeakPolarHBondContact O-CG 3.34Å; Q31-R35 PolarHBondContact O-N 3.01Å; Q31-R35 PolarHBondContact O-NH1 3.34Å; D32-R35 VanDerWaalsContact CG-NH2 3.29Å; D32-R35 PolarHBondContact O-N 3.26Å; D32-R35 IonicContact OD1-CZ 3.54Å; D32-R35 IonicContact OD1-NH1 2.72Å; D32-R35 PolarHBondContact OD1-NH1 3.41Å; D32-R35 IonicContact OD1-NH2 3.97Å; D32-R35 PolarHBondContact OD1-NH2 2.9Å; D32-R35 IonicContact OD2-NH2 2.78Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 3.18Å; R35-I38 PolarHBondContact O-N 3.3Å; R35-M39 VanDerWaalsContact O-CG 3.27Å; R35-M39 WeakPolarHBondContact O-CG 3.43Å; R35-M39 PolarHBondContact O-N 2.89Å |
| 36 | E | 89.6 | Confident | 86.8 | Confident | 108 Ų | 108 | 95 Ų | 95 | 51% | 0.505 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 178.4 | -168.8 | -173.3 | 159.2 | 0 | 0 | 112 | D32 L33 I38 M39 N40 | D32-E36 PolarHBondContact O-N 3.22Å; L33-E36 PolarHBondContact O-N 3.32Å; E36-I38 PolarHBondContact O-N 3.25Å; E36-M39 PolarHBondContact O-N 3.42Å; E36-M39 VanDerWaalsContact O-N 3.13Å; E36-N40 WeakPolarHBondContact O-CB 3.5Å; E36-N40 PolarHBondContact O-N 3.33Å |
| 37 | L | 87.9 | Confident | 85.7 | Confident | 101 Ų | 101 | 96.9 Ų | 96.9 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 177.5 | -72.5 | 172.9 | 0 | 0 | 0 | 112 | L33 M39 N40 Q41 | L33-L37 HydrophobicContact CD1-CD1 4.28Å; L33-L37 HydrophobicContact CD1-CG 4.2Å; L33-L37 HydrophobicContact CG-CD1 4.08Å; L33-L37 HydrophobicContact CG-CG 4.42Å; L33-L37 WeakPolarHBondContact O-CB 3.33Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.39Å; L33-L37 PolarHBondContact O-N 3.06Å; L37-M39 VanDerWaalsContact C-N 3.34Å; L37-M39 PolarHBondContact O-N 3.04Å; L37-N40 PolarHBondContact O-N 3.33Å; L37-Q41 WeakPolarHBondContact O-CB 3.29Å; L37-Q41 PolarHBondContact O-N 3.44Å |
| 38 | I | 87 | Confident | 84.2 | Confident | 61 Ų | 61 | 97.9 Ų | 97.9 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 175 | -72.3 | 177.4 | 0 | 0 | 0 | 111 | H34 R35 E36 Q41 K42 | H34-I38 VanDerWaalsContact NE2-CD1 3.27Å; H34-I38 WeakPolarHBondContact NE2-CD1 3.42Å; H34-I38 WeakPolarHBondContact O-CG1 3.46Å; H34-I38 PolarHBondContact O-N 2.9Å; H34-I38 VanDerWaalsContact O-N 3.13Å; R35-I38 PolarHBondContact O-N 3.3Å; E36-I38 PolarHBondContact O-N 3.25Å; I38-Q41 PolarHBondContact O-N 2.86Å; I38-K42 HydrophobicContact CG2-CD 4.09Å; I38-K42 HydrophobicContact CG2-CG 4.46Å; I38-K42 WeakPolarHBondContact O-CB 3.48Å; I38-K42 WeakPolarHBondContact O-CG 3.48Å; I38-K42 PolarHBondContact O-N 3.42Å |
| 39 | M | 88 | Confident | 83 | Confident | 90 Ų | 90 | 97.8 Ų | 97.8 | 44% | 0.443 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 178.2 | -72.1 | -180 | 82.3 | 0 | 0 | 111.4 | R35 E36 L37 Q41 K42 R43 | R35-M39 VanDerWaalsContact O-CG 3.27Å; R35-M39 WeakPolarHBondContact O-CG 3.43Å; R35-M39 PolarHBondContact O-N 2.89Å; E36-M39 PolarHBondContact O-N 3.42Å; E36-M39 VanDerWaalsContact O-N 3.13Å; L37-M39 VanDerWaalsContact C-N 3.34Å; L37-M39 PolarHBondContact O-N 3.04Å; M39-Q41 PolarHBondContact O-N 2.9Å; M39-K42 PolarHBondContact O-N 2.91Å; M39-R43 VanDerWaalsContact O-CB 3.28Å; M39-R43 WeakPolarHBondContact O-CB 3.49Å; M39-R43 WeakPolarHBondContact O-CG 3.45Å; M39-R43 PolarHBondContact O-N 3.43Å |
| 40 | N | 85.3 | Confident | 81.8 | Confident | 43 Ų | 43 | 94.2 Ų | 94.2 | 23% | 0.23 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 178.2 | -72 | -16.8 | 0 | 0 | 0 | 112.2 | E36 L37 R43 G44 L45 | E36-N40 WeakPolarHBondContact O-CB 3.5Å; E36-N40 PolarHBondContact O-N 3.33Å; L37-N40 PolarHBondContact O-N 3.33Å; N40-R43 PolarHBondContact O-N 2.94Å; N40-G44 PolarHBondContact O-N 3.07Å; N40-L45 PolarHBondContact O-N 2.94Å |
| 41 | Q | 81.2 | Confident | 81 | Confident | 127 Ų | 127 | 94 Ų | 94 | 59% | 0.593 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.4 | -47 | 173.3 | -174.8 | 179 | 1.2 | 0 | 0 | 111.6 | L37 I38 M39 R43 G44 | L37-Q41 WeakPolarHBondContact O-CB 3.29Å; L37-Q41 PolarHBondContact O-N 3.44Å; I38-Q41 PolarHBondContact O-N 2.86Å; M39-Q41 PolarHBondContact O-N 2.9Å; Q41-R43 VanDerWaalsContact C-N 3.29Å; Q41-R43 PolarHBondContact O-N 3.48Å; Q41-G44 PolarHBondContact O-N 3.31Å; Q41-G44 VanDerWaalsContact O-N 3.16Å |
| 42 | K | 81.2 | Confident | 80.4 | Confident | 178 Ų | 178 | 97.1 Ų | 97.1 | 77% | 0.774 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63 | -34.9 | 176.7 | -74.9 | -179.6 | 178 | -175.8 | 0 | 112.6 | I38 M39 G44 | I38-K42 HydrophobicContact CG2-CD 4.09Å; I38-K42 HydrophobicContact CG2-CG 4.46Å; I38-K42 WeakPolarHBondContact O-CB 3.48Å; I38-K42 WeakPolarHBondContact O-CG 3.48Å; I38-K42 PolarHBondContact O-N 3.42Å; M39-K42 PolarHBondContact O-N 2.91Å; K42-G44 VanDerWaalsContact C-N 3.3Å |
| 43 | R | 84.4 | Confident | 79.9 | Confident | 170 Ų | 170 | 100.5 Ų | 100.5 | 64% | 0.642 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -4.7 | 177.3 | -70 | 174.3 | 176.6 | -174.9 | -2.2 | 113.6 | M39 N40 Q41 L45 | M39-R43 VanDerWaalsContact O-CB 3.28Å; M39-R43 WeakPolarHBondContact O-CB 3.49Å; M39-R43 WeakPolarHBondContact O-CG 3.45Å; M39-R43 PolarHBondContact O-N 3.43Å; N40-R43 PolarHBondContact O-N 2.94Å; Q41-R43 VanDerWaalsContact C-N 3.29Å; Q41-R43 PolarHBondContact O-N 3.48Å; R43-L45 HydrophobicContact CB-CD1 4.06Å; R43-L45 HydrophobicContact CB-CG 4.06Å; R43-L45 PolarHBondContact O-N 3.49Å |
| 44 | G | 74.6 | Confident | 79.5 | Confident | 49 Ų | 49 | 100 Ų | 100 | 51% | 0.505 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 14.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N40 Q41 K42 | N40-G44 PolarHBondContact O-N 3.07Å; Q41-G44 PolarHBondContact O-N 3.31Å; Q41-G44 VanDerWaalsContact O-N 3.16Å; K42-G44 VanDerWaalsContact C-N 3.3Å |
| 45 | L | 72.9 | Confident | 79.2 | Confident | 125 Ų | 125 | 99.2 Ų | 99.2 | 65% | 0.654 | 50% | 0.502 | S | S | * | . | trans | -83 | -23.4 | -177.4 | -66.1 | 172.9 | 0 | 0 | 0 | 113 | N40 R43 | N40-L45 PolarHBondContact O-N 2.94Å; R43-L45 HydrophobicContact CB-CD1 4.06Å; R43-L45 HydrophobicContact CB-CG 4.06Å; R43-L45 PolarHBondContact O-N 3.49Å | ||
| 46 | A | 68.6 | Low | 79 | Confident | 38 Ų | 38 | 98.4 Ų | 98.4 | 31% | 0.314 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -72.6 | 143.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q48 | A46-Q48 WeakPolarHBondContact O-CG 3.38Å; A46-Q48 PolarHBondContact O-N 3.13Å |
| 47 | P | 62.6 | Low | 79.1 | Confident | 119 Ų | 119 | 98 Ų | 98 | 77% | 0.773 | 51% | 0.509 | S | S | * | . | trans | -52.7 | 104.5 | 165.4 | -21.2 | 31.4 | 0 | 0 | 0 | 107.9 | N49 | P47-N49 PolarHBondContact O-N 3.36Š| ||
| 48 | Q | 61.4 | Low | 79.2 | Confident | 71 Ų | 71 | 96.1 Ų | 96.1 | 33% | 0.332 | 50% | 0.498 | S | S | . | . | trans | -71.3 | 88.6 | -177.7 | -71.1 | -69.6 | -38.2 | 0 | 0 | 106.5 | A46 K50 | A46-Q48 WeakPolarHBondContact O-CG 3.38Å; A46-Q48 PolarHBondContact O-N 3.13Å; Q48-K50 HydrophobicContact CB-CD 4.11Å; Q48-K50 HydrophobicContact CB-CG 3.94Å; Q48-K50 PolarHBondContact O-N 2.89Å | ||
| 49 | N | 66.3 | Low | 79.4 | Confident | 154 Ų | 154 | 99.4 Ų | 99.4 | 82% | 0.824 | 51% | 0.51 | S | S | * | . | trans | -67.3 | 56.4 | 154.1 | -70.8 | -12.6 | 0 | 0 | 0 | 107.7 | P47 | P47-N49 PolarHBondContact O-N 3.36Š| ||
| 50 | K | 67 | Low | 79.8 | Confident | 52 Ų | 52 | 102.7 Ų | 102.7 | 23% | 0.226 | 52% | 0.517 | C | S | . | . | trans | -51.3 | 133.8 | 171.3 | -90.4 | 164.7 | -173.2 | -163.5 | 0 | 106.2 | Q48 E52 Q54 K55 E58 | Q48-K50 HydrophobicContact CB-CD 4.11Å; Q48-K50 HydrophobicContact CB-CG 3.94Å; Q48-K50 PolarHBondContact O-N 2.89Å; K50-E52 PolarHBondContact O-N 3.04Å; K50-Q54 HydrophobicContact CB-CB 4.49Å; K50-Q54 HydrophobicContact CD-CG 4.47Å; K50-Q54 HydrophobicContact CG-CG 4.34Å; K50-K55 HydrophobicContact CB-CG 3.78Å; K50-K55 VanDerWaalsContact O-CE 3.29Å; K50-K55 WeakPolarHBondContact O-CE 3.34Å; K50-E58 WeakPolarHBondContact CE-OE1 3.41Å; K50-E58 IonicContact NZ-OE1 3.4Å; K50-E58 PolarHBondContact NZ-OE1 3.43Å; K50-E58 IonicContact NZ-OE2 2.79Å; K50-E58 PolarHBondContact NZ-OE2 3.45Å | ||
| 51 | P | 79 | Confident | 80.2 | Confident | 81 Ų | 81 | 107.7 Ų | 107.7 | 53% | 0.526 | 54% | 0.537 | S | S | . | . | trans | -54.9 | 142.6 | 173.1 | 24.5 | -32.1 | 0 | 0 | 0 | 108.4 | L53 Q54 K55 | P51-L53 PolarHBondContact O-N 3.14Å; P51-L53 VanDerWaalsContact O-N 3.08Å; P51-Q54 HydrophobicContact CG-CB 3.86Å; P51-Q54 WeakPolarHBondContact O-CB 3.33Å; P51-Q54 PolarHBondContact O-N 3.36Å; P51-K55 PolarHBondContact O-N 3.32Å | ||
| 52 | E | 79.8 | Confident | 80.9 | Confident | 127 Ų | 127 | 109.8 Ų | 109.8 | 59% | 0.593 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -51.9 | -37.7 | -175.7 | -71 | -56.5 | 128.9 | 0 | 0 | 112 | K50 Q54 K55 V56 | K50-E52 PolarHBondContact O-N 3.04Å; E52-Q54 VanDerWaalsContact C-N 3.34Å; E52-Q54 PolarHBondContact O-N 2.89Å; E52-K55 PolarHBondContact O-N 3.42Å; E52-K55 IonicContact OE1-NZ 2.7Å; E52-K55 PolarHBondContact OE1-NZ 3.07Å; E52-V56 WeakPolarHBondContact O-CG2 3.34Å; E52-V56 PolarHBondContact O-N 2.93Å |
| 53 | L | 84.7 | Confident | 81.5 | Confident | 125 Ų | 125 | 106.3 Ų | 106.3 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -55.9 | -44.5 | 174.1 | -177.9 | 61.3 | 0 | 0 | 0 | 113 | P51 V56 L57 | P51-L53 PolarHBondContact O-N 3.14Å; P51-L53 VanDerWaalsContact O-N 3.08Å; L53-V56 PolarHBondContact O-N 3.22Å; L53-L57 HydrophobicContact CD1-CD1 4.42Å; L53-L57 HydrophobicContact CD1-CG 4.39Å; L53-L57 HydrophobicContact CG-CD1 4.25Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 3.25Å |
| 54 | Q | 82.2 | Confident | 82 | Confident | 79 Ų | 79 | 103.3 Ų | 103.3 | 37% | 0.369 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 179.2 | -177.4 | 177.6 | -13.3 | 0 | 0 | 111.4 | K50 P51 E52 V56 L57 E58 | K50-Q54 HydrophobicContact CB-CB 4.49Å; K50-Q54 HydrophobicContact CD-CG 4.47Å; K50-Q54 HydrophobicContact CG-CG 4.34Å; P51-Q54 HydrophobicContact CG-CB 3.86Å; P51-Q54 WeakPolarHBondContact O-CB 3.33Å; P51-Q54 PolarHBondContact O-N 3.36Å; E52-Q54 VanDerWaalsContact C-N 3.34Å; E52-Q54 PolarHBondContact O-N 2.89Å; Q54-V56 VanDerWaalsContact C-N 3.32Å; Q54-V56 PolarHBondContact O-N 3.43Å; Q54-L57 PolarHBondContact O-N 3.08Å; Q54-E58 HydrophobicContact CG-CG 4.44Å; Q54-E58 PolarHBondContact NE2-OE1 3.42Å; Q54-E58 WeakPolarHBondContact O-CB 3.39Å; Q54-E58 WeakPolarHBondContact O-CG 3.28Å; Q54-E58 PolarHBondContact O-N 2.93Å |
| 55 | K | 85.4 | Confident | 83 | Confident | 83 Ų | 83 | 104.6 Ų | 104.6 | 36% | 0.361 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 174.7 | -64 | 179 | -175 | 162.3 | 0 | 111.2 | K50 P51 E52 E58 K59 | K50-K55 HydrophobicContact CB-CG 3.78Å; K50-K55 VanDerWaalsContact O-CE 3.29Å; K50-K55 WeakPolarHBondContact O-CE 3.34Å; P51-K55 PolarHBondContact O-N 3.32Å; E52-K55 PolarHBondContact O-N 3.42Å; E52-K55 IonicContact OE1-NZ 2.7Å; E52-K55 PolarHBondContact OE1-NZ 3.07Å; K55-E58 PolarHBondContact O-N 2.97Å; K55-K59 VanDerWaalsContact O-CB 3.27Å; K55-K59 WeakPolarHBondContact O-CB 3.42Å; K55-K59 PolarHBondContact O-N 3.46Å |
| 56 | V | 89.9 | Confident | 83.9 | Confident | 85 Ų | 85 | 103.7 Ų | 103.7 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 178.5 | 171 | 0 | 0 | 0 | 0 | 111.4 | E52 L53 Q54 K59 R60 | E52-V56 WeakPolarHBondContact O-CG2 3.34Å; E52-V56 PolarHBondContact O-N 2.93Å; L53-V56 PolarHBondContact O-N 3.22Å; Q54-V56 VanDerWaalsContact C-N 3.32Å; Q54-V56 PolarHBondContact O-N 3.43Å; V56-K59 PolarHBondContact O-N 3.25Å; V56-R60 WeakPolarHBondContact O-CB 3.48Å; V56-R60 PolarHBondContact O-N 2.87Å |
| 57 | L | 92.3 | Very high | 85.2 | Confident | 101 Ų | 101 | 108.9 Ų | 108.9 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 177.1 | -71.5 | 175.7 | 0 | 0 | 0 | 112.2 | L53 Q54 R60 K61 | L53-L57 HydrophobicContact CD1-CD1 4.42Å; L53-L57 HydrophobicContact CD1-CG 4.39Å; L53-L57 HydrophobicContact CG-CD1 4.25Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 3.25Å; Q54-L57 PolarHBondContact O-N 3.08Å; L57-R60 PolarHBondContact O-N 3.14Å; L57-K61 WeakPolarHBondContact O-CB 3.38Å; L57-K61 PolarHBondContact O-N 2.96Å |
| 58 | E | 89.9 | Confident | 86.5 | Confident | 60 Ų | 60 | 105.8 Ų | 105.8 | 28% | 0.28 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 175.4 | -74.3 | 178.6 | -166.3 | 0 | 0 | 111.4 | K50 Q54 K55 K61 R62 | K50-E58 WeakPolarHBondContact CE-OE1 3.41Å; K50-E58 IonicContact NZ-OE1 3.4Å; K50-E58 PolarHBondContact NZ-OE1 3.43Å; K50-E58 IonicContact NZ-OE2 2.79Å; K50-E58 PolarHBondContact NZ-OE2 3.45Å; Q54-E58 HydrophobicContact CG-CG 4.44Å; Q54-E58 PolarHBondContact NE2-OE1 3.42Å; Q54-E58 WeakPolarHBondContact O-CB 3.39Å; Q54-E58 WeakPolarHBondContact O-CG 3.28Å; Q54-E58 PolarHBondContact O-N 2.93Å; K55-E58 PolarHBondContact O-N 2.97Å; E58-K61 PolarHBondContact O-N 2.96Å; E58-R62 WeakPolarHBondContact O-CG 3.42Å; E58-R62 PolarHBondContact O-N 2.9Å |
| 59 | K | 91.1 | Very high | 87.9 | Confident | 130 Ų | 130 | 107.4 Ų | 107.4 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.7 | -49.6 | 175.6 | -176.1 | -180 | 174.8 | -177.4 | 0 | 111.3 | K55 V56 K61 R62 E63 | K55-K59 VanDerWaalsContact O-CB 3.27Å; K55-K59 WeakPolarHBondContact O-CB 3.42Å; K55-K59 PolarHBondContact O-N 3.46Å; V56-K59 PolarHBondContact O-N 3.25Å; K59-K61 VanDerWaalsContact C-N 3.32Å; K59-K61 PolarHBondContact O-N 3.36Å; K59-R62 WeakPolarHBondContact O-CB 3.38Å; K59-R62 PolarHBondContact O-N 3.38Å; K59-R62 VanDerWaalsContact O-N 3.17Å; K59-E63 WeakPolarHBondContact CE-OE1 3.42Å; K59-E63 HydrophobicContact CG-CG 4.49Å; K59-E63 WeakPolarHBondContact O-CG 3.34Å; K59-E63 PolarHBondContact O-N 3.17Å |
| 60 | R | 95.2 | Very high | 88.9 | Confident | 159 Ų | 159 | 106.8 Ų | 106.8 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.6 | -43.2 | 177.5 | -177.2 | -179.4 | 178.5 | 124.6 | -2.6 | 111.8 | V56 L57 E63 Q64 | V56-R60 WeakPolarHBondContact O-CB 3.48Å; V56-R60 PolarHBondContact O-N 2.87Å; L57-R60 PolarHBondContact O-N 3.14Å; R60-E63 PolarHBondContact O-N 3.27Å; R60-Q64 WeakPolarHBondContact O-CG 2.96Å; R60-Q64 PolarHBondContact O-N 3.31Å |
| 61 | K | 95.4 | Very high | 89.9 | Confident | 149 Ų | 149 | 110.2 Ų | 110.2 | 65% | 0.648 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 177.2 | -172.4 | 177.7 | -179.1 | 179 | 0 | 111.2 | L57 E58 K59 Q64 V65 | L57-K61 WeakPolarHBondContact O-CB 3.38Å; L57-K61 PolarHBondContact O-N 2.96Å; E58-K61 PolarHBondContact O-N 2.96Å; K59-K61 VanDerWaalsContact C-N 3.32Å; K59-K61 PolarHBondContact O-N 3.36Å; K61-Q64 PolarHBondContact O-N 3.48Å; K61-V65 WeakPolarHBondContact O-CG2 3.33Å; K61-V65 PolarHBondContact O-N 3.48Å; K61-V65 VanDerWaalsContact O-N 3.14Å |
| 62 | R | 94.9 | Very high | 90.1 | Very high | 171 Ų | 171 | 112 Ų | 112 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.2 | -45.8 | 175.6 | -72 | 175.4 | -178.8 | -178.5 | 0.3 | 111.8 | E58 K59 Q64 V65 I66 | E58-R62 WeakPolarHBondContact O-CG 3.42Å; E58-R62 PolarHBondContact O-N 2.9Å; K59-R62 WeakPolarHBondContact O-CB 3.38Å; K59-R62 PolarHBondContact O-N 3.38Å; K59-R62 VanDerWaalsContact O-N 3.17Å; R62-Q64 VanDerWaalsContact C-N 3.32Å; R62-Q64 PolarHBondContact O-N 2.9Å; R62-V65 PolarHBondContact O-N 3.31Å; R62-I66 WeakPolarHBondContact O-CG1 3.48Å; R62-I66 PolarHBondContact O-N 3.48Å |
| 63 | E | 94.8 | Very high | 90.1 | Very high | 104 Ų | 104 | 111.4 Ų | 111.4 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -39 | 178.1 | -74.1 | 173.6 | 177.2 | 0 | 0 | 112.3 | K59 R60 I66 K67 | K59-E63 WeakPolarHBondContact CE-OE1 3.42Å; K59-E63 HydrophobicContact CG-CG 4.49Å; K59-E63 WeakPolarHBondContact O-CG 3.34Å; K59-E63 PolarHBondContact O-N 3.17Å; R60-E63 PolarHBondContact O-N 3.27Å; E63-I66 PolarHBondContact O-N 3.42Å; E63-K67 VanDerWaalsContact O-CB 3.28Å; E63-K67 WeakPolarHBondContact O-CB 3.28Å; E63-K67 PolarHBondContact O-N 2.9Å |
| 64 | Q | 94.1 | Very high | 90 | Very high | 108 Ų | 108 | 109.7 Ų | 109.7 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 174.8 | -76.7 | 176.8 | -0.4 | 0 | 0 | 112.2 | R60 K61 R62 K67 A68 | R60-Q64 WeakPolarHBondContact O-CG 2.96Å; R60-Q64 PolarHBondContact O-N 3.31Å; K61-Q64 PolarHBondContact O-N 3.48Å; R62-Q64 VanDerWaalsContact C-N 3.32Å; R62-Q64 PolarHBondContact O-N 2.9Å; Q64-K67 PolarHBondContact O-N 2.93Å; Q64-A68 WeakPolarHBondContact O-CB 3.41Å; Q64-A68 PolarHBondContact O-N 3.31Å |
| 65 | V | 95 | Very high | 89.6 | Confident | 75 Ų | 75 | 108.5 Ų | 108.5 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | K61 R62 K67 A68 Q69 | K61-V65 WeakPolarHBondContact O-CG2 3.33Å; K61-V65 PolarHBondContact O-N 3.48Å; K61-V65 VanDerWaalsContact O-N 3.14Å; R62-V65 PolarHBondContact O-N 3.31Å; V65-K67 VanDerWaalsContact C-N 3.32Å; V65-K67 PolarHBondContact O-N 3.21Å; V65-A68 PolarHBondContact O-N 3.05Å; V65-Q69 WeakPolarHBondContact O-CG 3.37Å; V65-Q69 PolarHBondContact O-N 3.2Å |
| 66 | I | 93.1 | Very high | 88.9 | Confident | 106 Ų | 106 | 108.5 Ų | 108.5 | 54% | 0.544 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 177.7 | -69.1 | 161.8 | 0 | 0 | 0 | 110.7 | R62 E63 Q69 K70 | R62-I66 WeakPolarHBondContact O-CG1 3.48Å; R62-I66 PolarHBondContact O-N 3.48Å; E63-I66 PolarHBondContact O-N 3.42Å; I66-Q69 PolarHBondContact O-N 3.28Å; I66-K70 WeakPolarHBondContact O-CB 3.3Å; I66-K70 PolarHBondContact O-N 2.97Å |
| 67 | K | 94.4 | Very high | 88 | Confident | 147 Ų | 147 | 113 Ų | 113 | 64% | 0.639 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.2 | -46.2 | 177.3 | -174 | -177.8 | 175.6 | -171.5 | 0 | 111.2 | E63 Q64 V65 K70 E71 | E63-K67 VanDerWaalsContact O-CB 3.28Å; E63-K67 WeakPolarHBondContact O-CB 3.28Å; E63-K67 PolarHBondContact O-N 2.9Å; Q64-K67 PolarHBondContact O-N 2.93Å; V65-K67 VanDerWaalsContact C-N 3.32Å; V65-K67 PolarHBondContact O-N 3.21Å; K67-K70 PolarHBondContact O-N 3.17Å; K67-E71 WeakPolarHBondContact O-CB 3.35Å; K67-E71 PolarHBondContact O-N 3.37Å |
| 68 | A | 91.1 | Very high | 87.1 | Confident | 55 Ų | 55 | 115.3 Ų | 115.3 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q64 V65 K70 E71 E72 | Q64-A68 WeakPolarHBondContact O-CB 3.41Å; Q64-A68 PolarHBondContact O-N 3.31Å; V65-A68 PolarHBondContact O-N 3.05Å; A68-K70 VanDerWaalsContact C-N 3.33Å; A68-K70 PolarHBondContact O-N 3.41Å; A68-E71 PolarHBondContact O-N 3.49Å; A68-E72 WeakPolarHBondContact O-CB 3.49Å; A68-E72 PolarHBondContact O-N 3.15Å |
| 69 | Q | 89.8 | Confident | 86.6 | Confident | 104 Ų | 104 | 115.5 Ų | 115.5 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 175.9 | -74.2 | -179 | -3.4 | 0 | 0 | 112.5 | V65 I66 E72 Q73 | V65-Q69 WeakPolarHBondContact O-CG 3.37Å; V65-Q69 PolarHBondContact O-N 3.2Å; I66-Q69 PolarHBondContact O-N 3.28Å; Q69-E72 PolarHBondContact O-N 3.27Å; Q69-Q73 WeakPolarHBondContact O-CB 3.33Å; Q69-Q73 VanDerWaalsContact O-CG 3.29Å; Q69-Q73 WeakPolarHBondContact O-CG 3.35Å; Q69-Q73 PolarHBondContact O-N 2.94Å |
| 70 | K | 88.8 | Confident | 86.3 | Confident | 141 Ų | 141 | 112.6 Ų | 112.6 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.2 | -41 | 178.3 | -170.8 | 178.8 | 179.3 | -177 | 0 | 111.5 | I66 K67 A68 Q73 E74 | I66-K70 WeakPolarHBondContact O-CB 3.3Å; I66-K70 PolarHBondContact O-N 2.97Å; K67-K70 PolarHBondContact O-N 3.17Å; A68-K70 VanDerWaalsContact C-N 3.33Å; A68-K70 PolarHBondContact O-N 3.41Å; K70-Q73 PolarHBondContact O-N 3.46Å; K70-E74 WeakPolarHBondContact O-CB 3.27Å; K70-E74 PolarHBondContact O-N 3.36Å |
| 71 | E | 86.9 | Confident | 85.9 | Confident | 124 Ų | 124 | 111.6 Ų | 111.6 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -41.2 | 176.2 | -174.7 | 170.6 | -178 | 0 | 0 | 111.5 | K67 A68 E74 A75 | K67-E71 WeakPolarHBondContact O-CB 3.35Å; K67-E71 PolarHBondContact O-N 3.37Å; A68-E71 PolarHBondContact O-N 3.49Å; E71-E74 PolarHBondContact O-N 3.37Å; E71-A75 WeakPolarHBondContact O-CB 3.49Å; E71-A75 PolarHBondContact O-N 3.08Å |
| 72 | E | 83.9 | Confident | 85.7 | Confident | 118 Ų | 118 | 110.2 Ų | 110.2 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.9 | -49.4 | 172.1 | -176.5 | 179.4 | -172.1 | 0 | 0 | 111.1 | A68 Q69 E74 A75 H76 | A68-E72 WeakPolarHBondContact O-CB 3.49Å; A68-E72 PolarHBondContact O-N 3.15Å; Q69-E72 PolarHBondContact O-N 3.27Å; E72-E74 VanDerWaalsContact C-N 3.3Å; E72-E74 PolarHBondContact O-N 2.86Å; E72-A75 WeakPolarHBondContact O-CB 3.43Å; E72-A75 PolarHBondContact O-N 3.37Å; E72-H76 PolarHBondContact O-CD2 2.89Å; E72-H76 PolarHBondContact O-N 3.38Å; E72-H76 IonicContact OE1-NE2 3.86Å |
| 73 | Q | 79.5 | Confident | 85.3 | Confident | 116 Ų | 116 | 106.1 Ų | 106.1 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 176.2 | -73.6 | 177.5 | 11.9 | 0 | 0 | 112.8 | Q69 K70 H76 K77 | Q69-Q73 WeakPolarHBondContact O-CB 3.33Å; Q69-Q73 VanDerWaalsContact O-CG 3.29Å; Q69-Q73 WeakPolarHBondContact O-CG 3.35Å; Q69-Q73 PolarHBondContact O-N 2.94Å; K70-Q73 PolarHBondContact O-N 3.46Å; Q73-H76 PolarHBondContact O-N 3.47Å; Q73-K77 WeakPolarHBondContact O-CG 3.3Å; Q73-K77 PolarHBondContact O-N 2.92Å |
| 74 | E | 81.3 | Confident | 85 | Confident | 88 Ų | 88 | 104.1 Ų | 104.1 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.3 | -37.9 | 177.1 | -164 | 176.2 | 155.2 | 0 | 0 | 111.5 | K70 E71 E72 H76 K77 K78 | K70-E74 WeakPolarHBondContact O-CB 3.27Å; K70-E74 PolarHBondContact O-N 3.36Å; E71-E74 PolarHBondContact O-N 3.37Å; E72-E74 VanDerWaalsContact C-N 3.3Å; E72-E74 PolarHBondContact O-N 2.86Å; E74-H76 VanDerWaalsContact C-N 3.34Å; E74-K77 PolarHBondContact O-N 3.4Å; E74-K78 HydrophobicContact CG-CD 4.35Å; E74-K78 WeakPolarHBondContact O-CB 3.41Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 3.39Å; E74-K78 VanDerWaalsContact OE1-CE 3.24Å; E74-K78 WeakPolarHBondContact OE1-CE 3.35Å; E74-K78 IonicContact OE1-NZ 3.1Å; E74-K78 PolarHBondContact OE1-NZ 2.82Å |
| 75 | A | 74.8 | Confident | 85 | Confident | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E71 E72 K77 K78 R79 | E71-A75 WeakPolarHBondContact O-CB 3.49Å; E71-A75 PolarHBondContact O-N 3.08Å; E72-A75 WeakPolarHBondContact O-CB 3.43Å; E72-A75 PolarHBondContact O-N 3.37Å; A75-K77 VanDerWaalsContact C-N 3.34Å; A75-K77 PolarHBondContact O-N 2.93Å; A75-K78 CarbonylContact O-C 3.54Å; A75-K78 PolarHBondContact O-N 3Å; A75-R79 WeakPolarHBondContact O-CG 3.42Å; A75-R79 PolarHBondContact O-N 3.33Å; A75-R79 VanDerWaalsContact O-N 3.17Å |
| 76 | H | 69.8 | Low | 85 | Confident | 82 Ų | 82 | 105.3 Ų | 105.3 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 172.9 | -80.9 | -75.8 | 0 | 0 | 0 | 112.9 | E72 Q73 E74 K78 R79 | E72-H76 PolarHBondContact O-CD2 2.89Å; E72-H76 PolarHBondContact O-N 3.38Å; E72-H76 IonicContact OE1-NE2 3.86Å; Q73-H76 PolarHBondContact O-N 3.47Å; E74-H76 VanDerWaalsContact C-N 3.34Å; H76-K78 VanDerWaalsContact C-N 3.35Å; H76-R79 PolarHBondContact CE1-NH2 3.5Å; H76-R79 PolarHBondContact ND1-NE 2.86Å; H76-R79 PolarHBondContact ND1-NH1 3.24Å; H76-R79 PolarHBondContact ND1-NH2 3.2Å; H76-R79 WeakPolarHBondContact O-CB 3.44Å; H76-R79 WeakPolarHBondContact O-CG 3.34Å; H76-R79 PolarHBondContact O-N 3.45Å |
| 77 | K | 72.4 | Confident | 85 | Confident | 179 Ų | 179 | 103.5 Ų | 103.5 | 78% | 0.778 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.5 | -28.9 | 176.3 | -72.7 | 177.1 | -176.7 | -174.5 | 0 | 113.2 | Q73 E74 A75 R79 | Q73-K77 WeakPolarHBondContact O-CG 3.3Å; Q73-K77 PolarHBondContact O-N 2.92Å; E74-K77 PolarHBondContact O-N 3.4Å; A75-K77 VanDerWaalsContact C-N 3.34Å; A75-K77 PolarHBondContact O-N 2.93Å; K77-R79 VanDerWaalsContact C-N 3.29Å |
| 78 | K | 73.4 | Confident | 85 | Confident | 150 Ų | 150 | 101.8 Ų | 101.8 | 65% | 0.652 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -0.5 | 176.2 | -71.8 | 175.1 | -176.9 | 167.9 | 0 | 113.3 | E74 A75 H76 S80 | E74-K78 HydrophobicContact CG-CD 4.35Å; E74-K78 WeakPolarHBondContact O-CB 3.41Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.33Å; E74-K78 PolarHBondContact O-N 3.39Å; E74-K78 VanDerWaalsContact OE1-CE 3.24Å; E74-K78 WeakPolarHBondContact OE1-CE 3.35Å; E74-K78 IonicContact OE1-NZ 3.1Å; E74-K78 PolarHBondContact OE1-NZ 2.82Å; A75-K78 CarbonylContact O-C 3.54Å; A75-K78 PolarHBondContact O-N 3Å; H76-K78 VanDerWaalsContact C-N 3.35Å; K78-S80 PolarHBondContact O-N 2.93Å |
| 79 | R | 78.8 | Confident | 85.3 | Confident | 64 Ų | 64 | 107.4 Ų | 107.4 | 24% | 0.242 | 51% | 0.512 | C | S | . | . | trans | -59.7 | 137.1 | 174.7 | -69.2 | -174.8 | 180 | -170.4 | -4.9 | 109.8 | A75 H76 K77 E83 I84 M87 | A75-R79 WeakPolarHBondContact O-CG 3.42Å; A75-R79 PolarHBondContact O-N 3.33Å; A75-R79 VanDerWaalsContact O-N 3.17Å; H76-R79 PolarHBondContact CE1-NH2 3.5Å; H76-R79 PolarHBondContact ND1-NE 2.86Å; H76-R79 PolarHBondContact ND1-NH1 3.24Å; H76-R79 PolarHBondContact ND1-NH2 3.2Å; H76-R79 WeakPolarHBondContact O-CB 3.44Å; H76-R79 WeakPolarHBondContact O-CG 3.34Å; H76-R79 PolarHBondContact O-N 3.45Å; K77-R79 VanDerWaalsContact C-N 3.29Å; R79-E83 HydrophobicContact CB-CB 4.43Å; R79-E83 HydrophobicContact CB-CG 4.49Å; R79-E83 WeakPolarHBondContact CD-OE1 3.47Å; R79-E83 WeakPolarHBondContact CG-OE1 3.36Å; R79-E83 IonicContact NE-OE1 2.6Å; R79-I84 HydrophobicContact CB-CG1 4.17Å; R79-M87 PolarHBondContact NH1-SD 2.85Å | ||
| 80 | S | 84.4 | Confident | 85.5 | Confident | 70 Ų | 70 | 107.6 Ų | 107.6 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | trans | -64.8 | 148.4 | 176.8 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | K78 L82 E83 I84 | K78-S80 PolarHBondContact O-N 2.93Å; S80-L82 PolarHBondContact O-N 3.46Å; S80-L82 VanDerWaalsContact O-N 3.12Å; S80-L82 PolarHBondContact OG-N 2.67Å; S80-E83 WeakPolarHBondContact O-CA 3.47Å; S80-E83 WeakPolarHBondContact O-CB 3.3Å; S80-E83 PolarHBondContact O-N 3.45Å; S80-I84 PolarHBondContact O-N 3.11Å | ||
| 81 | D | 87.7 | Confident | 85.9 | Confident | 137 Ų | 137 | 106 Ų | 106 | 73% | 0.733 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -51.4 | -36.6 | 173.5 | -68.3 | -19.1 | 0 | 0 | 0 | 111.8 | I84 E85 | D81-I84 PolarHBondContact O-N 2.93Å; D81-E85 PolarHBondContact O-N 3.47Å |
| 82 | L | 91.4 | Very high | 86.4 | Confident | 120 Ų | 120 | 106.8 Ų | 106.8 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.4 | -41.4 | 174.6 | 177.6 | 63.4 | 0 | 0 | 0 | 112.6 | S80 I84 E85 L86 | S80-L82 PolarHBondContact O-N 3.46Å; S80-L82 VanDerWaalsContact O-N 3.12Å; S80-L82 PolarHBondContact OG-N 2.67Å; L82-I84 VanDerWaalsContact C-N 3.34Å; L82-E85 PolarHBondContact O-N 3.11Å; L82-L86 HydrophobicContact CD1-CG 4.41Å; L82-L86 HydrophobicContact CG-CD1 4.28Å; L82-L86 WeakPolarHBondContact O-CB 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 3.21Å |
| 83 | E | 86.6 | Confident | 87 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 179.6 | -170.6 | -174.3 | 162.4 | 0 | 0 | 111.1 | R79 S80 L86 M87 | R79-E83 HydrophobicContact CB-CB 4.43Å; R79-E83 HydrophobicContact CB-CG 4.49Å; R79-E83 WeakPolarHBondContact CD-OE1 3.47Å; R79-E83 WeakPolarHBondContact CG-OE1 3.36Å; R79-E83 IonicContact NE-OE1 2.6Å; S80-E83 WeakPolarHBondContact O-CA 3.47Å; S80-E83 WeakPolarHBondContact O-CB 3.3Å; S80-E83 PolarHBondContact O-N 3.45Å; E83-L86 PolarHBondContact O-N 3.39Å; E83-M87 PolarHBondContact O-N 3.36Å |
| 84 | I | 88.5 | Confident | 87.7 | Confident | 61 Ų | 61 | 104.9 Ų | 104.9 | 31% | 0.313 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 173.3 | -66.4 | 163 | 0 | 0 | 0 | 110.3 | R79 S80 D81 L82 M87 K88 | R79-I84 HydrophobicContact CB-CG1 4.17Å; S80-I84 PolarHBondContact O-N 3.11Å; D81-I84 PolarHBondContact O-N 2.93Å; L82-I84 VanDerWaalsContact C-N 3.34Å; I84-M87 PolarHBondContact O-N 2.84Å; I84-K88 HydrophobicContact CG2-CD 4.49Å; I84-K88 WeakPolarHBondContact O-CG 3.29Å; I84-K88 PolarHBondContact O-N 2.91Å |
| 85 | E | 94.4 | Very high | 88.5 | Confident | 107 Ų | 107 | 106.9 Ų | 106.9 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.5 | -36.8 | -179.1 | -158.8 | 59.2 | -151 | 0 | 0 | 112.5 | D81 L82 K88 R89 | D81-E85 PolarHBondContact O-N 3.47Å; L82-E85 PolarHBondContact O-N 3.11Å; E85-K88 PolarHBondContact O-N 3.43Å; E85-K88 WeakPolarHBondContact OE2-CD 3.42Å; E85-K88 IonicContact OE2-NZ 3.08Å; E85-K88 PolarHBondContact OE2-NZ 3.21Å; E85-K88 VanDerWaalsContact OE2-NZ 3.1Å; E85-R89 WeakPolarHBondContact O-CB 3.42Å; E85-R89 PolarHBondContact O-N 3.03Å |
| 86 | L | 94.8 | Very high | 89.4 | Confident | 102 Ų | 102 | 108.1 Ų | 108.1 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 171.6 | -74.5 | 174.1 | 0 | 0 | 0 | 111.8 | L82 E83 R89 Q90 | L82-L86 HydrophobicContact CD1-CG 4.41Å; L82-L86 HydrophobicContact CG-CD1 4.28Å; L82-L86 WeakPolarHBondContact O-CB 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 3.21Å; E83-L86 PolarHBondContact O-N 3.39Å; L86-R89 PolarHBondContact O-N 3.24Å; L86-Q90 PolarHBondContact O-N 3.36Å |
| 87 | M | 91.4 | Very high | 90.6 | Very high | 68 Ų | 68 | 109.6 Ų | 109.6 | 34% | 0.335 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 174.6 | -95.4 | -155 | -51.1 | 0 | 0 | 112.4 | R79 E83 I84 R89 Q90 Q91 | R79-M87 PolarHBondContact NH1-SD 2.85Å; E83-M87 PolarHBondContact O-N 3.36Å; I84-M87 PolarHBondContact O-N 2.84Å; M87-R89 VanDerWaalsContact C-N 3.29Å; M87-R89 PolarHBondContact O-N 3.08Å; M87-Q90 WeakPolarHBondContact O-CB 3.46Å; M87-Q90 PolarHBondContact O-N 3.42Å; M87-Q91 WeakPolarHBondContact O-CG 3.34Å; M87-Q91 PolarHBondContact O-N 2.78Å |
| 88 | K | 95.3 | Very high | 91.8 | Very high | 110 Ų | 110 | 105.4 Ų | 105.4 | 48% | 0.478 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 177 | -73.3 | 174.3 | -171.5 | 164.5 | 0 | 111.3 | I84 E85 Q90 Q91 K92 | I84-K88 HydrophobicContact CG2-CD 4.49Å; I84-K88 WeakPolarHBondContact O-CG 3.29Å; I84-K88 PolarHBondContact O-N 2.91Å; E85-K88 PolarHBondContact O-N 3.43Å; E85-K88 WeakPolarHBondContact OE2-CD 3.42Å; E85-K88 IonicContact OE2-NZ 3.08Å; E85-K88 PolarHBondContact OE2-NZ 3.21Å; E85-K88 VanDerWaalsContact OE2-NZ 3.1Å; K88-Q90 VanDerWaalsContact C-N 3.34Å; K88-Q91 PolarHBondContact O-N 2.72Å; K88-K92 WeakPolarHBondContact O-CB 3.42Å; K88-K92 PolarHBondContact O-N 3Å |
| 89 | R | 96.4 | Very high | 92.7 | Very high | 173 Ų | 173 | 103.7 Ų | 103.7 | 65% | 0.653 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 176.3 | -174.8 | 176.3 | -179.2 | 177.8 | -0.1 | 111.1 | E85 L86 M87 K92 L93 | E85-R89 WeakPolarHBondContact O-CB 3.42Å; E85-R89 PolarHBondContact O-N 3.03Å; L86-R89 PolarHBondContact O-N 3.24Å; M87-R89 VanDerWaalsContact C-N 3.29Å; M87-R89 PolarHBondContact O-N 3.08Å; R89-K92 PolarHBondContact O-N 3.25Å; R89-L93 HydrophobicContact CG-CD1 4.46Å; R89-L93 WeakPolarHBondContact O-CG 3.09Å; R89-L93 PolarHBondContact O-N 3.47Å |
| 90 | Q | 95.8 | Very high | 93.4 | Very high | 108 Ų | 108 | 105.9 Ų | 105.9 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 175.8 | -178.8 | 179.7 | 1.9 | 0 | 0 | 111.6 | L86 M87 K88 K92 L93 E94 | L86-Q90 PolarHBondContact O-N 3.36Å; M87-Q90 WeakPolarHBondContact O-CB 3.46Å; M87-Q90 PolarHBondContact O-N 3.42Å; K88-Q90 VanDerWaalsContact C-N 3.34Å; Q90-K92 PolarHBondContact O-N 2.86Å; Q90-L93 WeakPolarHBondContact O-CB 3.22Å; Q90-L93 PolarHBondContact O-N 3.37Å; Q90-E94 PolarHBondContact NE2-OE1 2.92Å; Q90-E94 PolarHBondContact O-N 2.78Å |
| 91 | Q | 95.8 | Very high | 93.7 | Very high | 108 Ų | 108 | 108 Ų | 108 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.7 | -38.3 | 178 | -74.4 | -179.5 | -12.6 | 0 | 0 | 112.5 | M87 K88 E94 Q95 | M87-Q91 WeakPolarHBondContact O-CG 3.34Å; M87-Q91 PolarHBondContact O-N 2.78Å; K88-Q91 PolarHBondContact O-N 2.72Å; Q91-E94 PolarHBondContact O-N 3.03Å; Q91-Q95 WeakPolarHBondContact O-CG 3.45Å; Q91-Q95 PolarHBondContact O-N 2.81Å |
| 92 | K | 97.2 | Very high | 94 | Very high | 141 Ų | 141 | 107 Ų | 107 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.4 | -40.2 | 176.2 | -170.3 | 176 | -173.4 | 177.5 | 0 | 112 | K88 R89 Q90 L96 | K88-K92 WeakPolarHBondContact O-CB 3.42Å; K88-K92 PolarHBondContact O-N 3Å; R89-K92 PolarHBondContact O-N 3.25Å; Q90-K92 PolarHBondContact O-N 2.86Å; K92-L96 WeakPolarHBondContact O-CG 3.46Å; K92-L96 PolarHBondContact O-N 2.74Å; K92-L96 VanDerWaalsContact O-N 3.14Å |
| 93 | L | 96.6 | Very high | 93.9 | Very high | 91 Ų | 91 | 104.9 Ų | 104.9 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 176.3 | -68.9 | 171.8 | 0 | 0 | 0 | 111.2 | R89 Q90 Q95 L96 E97 | R89-L93 HydrophobicContact CG-CD1 4.46Å; R89-L93 WeakPolarHBondContact O-CG 3.09Å; R89-L93 PolarHBondContact O-N 3.47Å; Q90-L93 WeakPolarHBondContact O-CB 3.22Å; Q90-L93 PolarHBondContact O-N 3.37Å; L93-Q95 VanDerWaalsContact C-N 3.3Å; L93-Q95 PolarHBondContact O-N 3.44Å; L93-L96 PolarHBondContact O-N 3.12Å; L93-L96 VanDerWaalsContact O-N 3.13Å; L93-E97 PolarHBondContact O-N 3.14Å |
| 94 | E | 95.9 | Very high | 93.9 | Very high | 102 Ų | 102 | 106.1 Ų | 106.1 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | 176.6 | -73.3 | 173.2 | -171.5 | 0 | 0 | 112.1 | Q90 Q91 E97 L98 | Q90-E94 PolarHBondContact NE2-OE1 2.92Å; Q90-E94 PolarHBondContact O-N 2.78Å; Q91-E94 PolarHBondContact O-N 3.03Å; E94-E97 PolarHBondContact O-N 2.8Å; E94-L98 WeakPolarHBondContact O-CB 3.22Å; E94-L98 PolarHBondContact O-N 3Å |
| 95 | Q | 96.1 | Very high | 93.9 | Very high | 130 Ų | 130 | 109.2 Ų | 109.2 | 61% | 0.607 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -42.6 | 174.7 | -75 | 174.7 | 19.9 | 0 | 0 | 112.5 | Q91 L93 L98 E99 | Q91-Q95 WeakPolarHBondContact O-CG 3.45Å; Q91-Q95 PolarHBondContact O-N 2.81Å; L93-Q95 VanDerWaalsContact C-N 3.3Å; L93-Q95 PolarHBondContact O-N 3.44Å; Q95-L98 PolarHBondContact O-N 3.2Å; Q95-E99 WeakPolarHBondContact O-CB 2.82Å; Q95-E99 PolarHBondContact O-N 3.27Å |
| 96 | L | 95.6 | Very high | 93.4 | Very high | 81 Ų | 81 | 110.3 Ų | 110.3 | 42% | 0.424 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.6 | -35.8 | 177.9 | -72 | 170.9 | 0 | 0 | 0 | 112.3 | K92 L93 Q100 | K92-L96 WeakPolarHBondContact O-CG 3.46Å; K92-L96 PolarHBondContact O-N 2.74Å; K92-L96 VanDerWaalsContact O-N 3.14Å; L93-L96 PolarHBondContact O-N 3.12Å; L93-L96 VanDerWaalsContact O-N 3.13Å; L96-Q100 WeakPolarHBondContact O-CB 3.44Å; L96-Q100 WeakPolarHBondContact O-CG 3.48Å; L96-Q100 PolarHBondContact O-N 2.81Å; L96-Q100 PolarHBondContact O-NE2 3.35Å |
| 97 | E | 94.9 | Very high | 92.6 | Very high | 113 Ų | 113 | 111.4 Ų | 111.4 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 173.1 | -75.5 | -179.4 | -178.7 | 0 | 0 | 111 | L93 E94 E99 Q100 Q101 | L93-E97 PolarHBondContact O-N 3.14Å; E94-E97 PolarHBondContact O-N 2.8Å; E97-E99 VanDerWaalsContact C-N 3.35Å; E97-E99 PolarHBondContact O-N 3.29Å; E97-Q100 PolarHBondContact O-N 3.5Å; E97-Q101 WeakPolarHBondContact O-CG 3.47Å; E97-Q101 PolarHBondContact O-N 3.16Å |
| 98 | L | 95.8 | Very high | 92.1 | Very high | 91 Ų | 91 | 115.5 Ų | 115.5 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 177.5 | -171.8 | 67.8 | 0 | 0 | 0 | 112 | E94 Q95 Q101 K102 | E94-L98 WeakPolarHBondContact O-CB 3.22Å; E94-L98 PolarHBondContact O-N 3Å; Q95-L98 PolarHBondContact O-N 3.2Å; L98-Q101 PolarHBondContact O-N 3.42Å; L98-K102 WeakPolarHBondContact O-CG 3.28Å; L98-K102 PolarHBondContact O-N 2.96Å |
| 99 | E | 93.7 | Very high | 91.5 | Very high | 115 Ų | 115 | 116.6 Ų | 116.6 | 54% | 0.537 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 175.7 | -171.7 | 173.3 | -162.9 | 0 | 0 | 111.5 | Q95 E97 Q101 K102 I103 | Q95-E99 WeakPolarHBondContact O-CB 2.82Å; Q95-E99 PolarHBondContact O-N 3.27Å; E97-E99 VanDerWaalsContact C-N 3.35Å; E97-E99 PolarHBondContact O-N 3.29Å; E99-Q101 PolarHBondContact O-N 3.06Å; E99-K102 PolarHBondContact O-N 3.41Å; E99-I103 HydrophobicContact CG-CD1 4.06Å; E99-I103 VanDerWaalsContact O-CG1 3.28Å; E99-I103 WeakPolarHBondContact O-CG1 3.48Å; E99-I103 PolarHBondContact O-N 3.37Å |
| 100 | Q | 92.5 | Very high | 90.8 | Very high | 109 Ų | 109 | 110.9 Ų | 110.9 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 173.4 | -82.3 | 178.1 | 90.4 | 0 | 0 | 112.4 | L96 E97 K102 I103 Q104 | L96-Q100 WeakPolarHBondContact O-CB 3.44Å; L96-Q100 WeakPolarHBondContact O-CG 3.48Å; L96-Q100 PolarHBondContact O-N 2.81Å; L96-Q100 PolarHBondContact O-NE2 3.35Å; E97-Q100 PolarHBondContact O-N 3.5Å; Q100-K102 VanDerWaalsContact C-N 3.34Å; Q100-I103 PolarHBondContact O-N 3.49Å; Q100-Q104 WeakPolarHBondContact O-CB 3.35Å; Q100-Q104 VanDerWaalsContact O-CG 3.3Å; Q100-Q104 WeakPolarHBondContact O-CG 3.27Å; Q100-Q104 PolarHBondContact O-N 2.95Å |
| 101 | Q | 91.9 | Very high | 90.1 | Very high | 114 Ų | 114 | 108.9 Ų | 108.9 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.5 | -75 | 175.7 | 10.8 | 0 | 0 | 111.4 | E97 L98 E99 I103 Q104 E105 | E97-Q101 WeakPolarHBondContact O-CG 3.47Å; E97-Q101 PolarHBondContact O-N 3.16Å; L98-Q101 PolarHBondContact O-N 3.42Å; E99-Q101 PolarHBondContact O-N 3.06Å; Q101-I103 PolarHBondContact O-N 2.83Å; Q101-Q104 PolarHBondContact O-N 3.48Å; Q101-E105 WeakPolarHBondContact O-CB 3.31Å; Q101-E105 PolarHBondContact O-N 2.88Å |
| 102 | K | 92.8 | Very high | 89.3 | Confident | 116 Ų | 116 | 111 Ų | 111 | 50% | 0.504 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.2 | -74.8 | 177.2 | -179.9 | -177.1 | 0 | 112.4 | L98 E99 Q100 Q104 E105 E106 | L98-K102 WeakPolarHBondContact O-CG 3.28Å; L98-K102 PolarHBondContact O-N 2.96Å; E99-K102 PolarHBondContact O-N 3.41Å; Q100-K102 VanDerWaalsContact C-N 3.34Å; K102-Q104 VanDerWaalsContact C-N 3.3Å; K102-Q104 PolarHBondContact O-N 3.13Å; K102-E105 PolarHBondContact O-N 3.35Å; K102-E106 WeakPolarHBondContact O-CB 3.46Å; K102-E106 WeakPolarHBondContact O-CG 3.31Å; K102-E106 PolarHBondContact O-N 3.42Å |
| 103 | I | 89.4 | Confident | 88.4 | Confident | 77 Ų | 77 | 111.7 Ų | 111.7 | 40% | 0.395 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 177.2 | -70 | 164.3 | 0 | 0 | 0 | 110.8 | E99 Q100 Q101 Q107 | E99-I103 HydrophobicContact CG-CD1 4.06Å; E99-I103 VanDerWaalsContact O-CG1 3.28Å; E99-I103 WeakPolarHBondContact O-CG1 3.48Å; E99-I103 PolarHBondContact O-N 3.37Å; Q100-I103 PolarHBondContact O-N 3.49Å; Q101-I103 PolarHBondContact O-N 2.83Å; I103-Q107 WeakPolarHBondContact O-CB 3.41Å; I103-Q107 VanDerWaalsContact O-CG 3.3Å; I103-Q107 WeakPolarHBondContact O-CG 3.27Å; I103-Q107 PolarHBondContact O-N 2.89Å |
| 104 | Q | 87 | Confident | 87.6 | Confident | 111 Ų | 111 | 110.7 Ų | 110.7 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 175.8 | -73.6 | 173 | 15 | 0 | 0 | 111.2 | Q100 Q101 K102 E106 Q107 E108 | Q100-Q104 WeakPolarHBondContact O-CB 3.35Å; Q100-Q104 VanDerWaalsContact O-CG 3.3Å; Q100-Q104 WeakPolarHBondContact O-CG 3.27Å; Q100-Q104 PolarHBondContact O-N 2.95Å; Q101-Q104 PolarHBondContact O-N 3.48Å; K102-Q104 VanDerWaalsContact C-N 3.3Å; K102-Q104 PolarHBondContact O-N 3.13Å; Q104-E106 PolarHBondContact O-N 3.13Å; Q104-Q107 WeakPolarHBondContact O-CB 3.44Å; Q104-Q107 PolarHBondContact O-N 2.93Å; Q104-E108 WeakPolarHBondContact O-CG 3.46Å; Q104-E108 PolarHBondContact O-N 2.99Å |
| 105 | E | 88.3 | Confident | 86.6 | Confident | 127 Ų | 127 | 110 Ų | 110 | 59% | 0.593 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 176.9 | -172.2 | -178.4 | 179.4 | 0 | 0 | 111.8 | Q101 K102 Q107 E108 N109 | Q101-E105 WeakPolarHBondContact O-CB 3.31Å; Q101-E105 PolarHBondContact O-N 2.88Å; K102-E105 PolarHBondContact O-N 3.35Å; E105-Q107 VanDerWaalsContact C-N 3.34Å; E105-Q107 PolarHBondContact O-N 3.36Å; E105-E108 PolarHBondContact O-N 2.97Å; E105-N109 VanDerWaalsContact O-CB 3.22Å; E105-N109 WeakPolarHBondContact O-CB 3.4Å; E105-N109 PolarHBondContact O-N 3.41Å |
| 106 | E | 84.9 | Confident | 85.6 | Confident | 130 Ų | 130 | 110.4 Ų | 110.4 | 61% | 0.607 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 174.2 | -77.4 | 179.9 | -175.7 | 0 | 0 | 111.8 | K102 Q104 N109 T110 | K102-E106 WeakPolarHBondContact O-CB 3.46Å; K102-E106 WeakPolarHBondContact O-CG 3.31Å; K102-E106 PolarHBondContact O-N 3.42Å; Q104-E106 PolarHBondContact O-N 3.13Å; E106-N109 PolarHBondContact O-N 3.27Å; E106-T110 WeakPolarHBondContact O-CB 3.48Å; E106-T110 PolarHBondContact O-N 3.43Å; E106-T110 PolarHBondContact O-OG1 2.99Å |
| 107 | Q | 77.8 | Confident | 84.5 | Confident | 125 Ų | 125 | 114.2 Ų | 114.2 | 58% | 0.584 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.4 | -42.3 | 173.9 | -80.6 | -173.9 | 56 | 0 | 0 | 111.6 | I103 Q104 E105 T110 K115 | I103-Q107 WeakPolarHBondContact O-CB 3.41Å; I103-Q107 VanDerWaalsContact O-CG 3.3Å; I103-Q107 WeakPolarHBondContact O-CG 3.27Å; I103-Q107 PolarHBondContact O-N 2.89Å; Q104-Q107 WeakPolarHBondContact O-CB 3.44Å; Q104-Q107 PolarHBondContact O-N 2.93Å; E105-Q107 VanDerWaalsContact C-N 3.34Å; E105-Q107 PolarHBondContact O-N 3.36Å; Q107-T110 PolarHBondContact O-N 2.94Å; Q107-K115 WeakPolarHBondContact O-CE 3.28Å; Q107-K115 PolarHBondContact O-NZ 3.25Å |
| 108 | E | 80.3 | Confident | 83.2 | Confident | 154 Ų | 154 | 110.3 Ų | 110.3 | 72% | 0.72 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 176.3 | -73.9 | -176.9 | 175.4 | 0 | 0 | 111.4 | Q104 E105 T110 K115 | Q104-E108 WeakPolarHBondContact O-CG 3.46Å; Q104-E108 PolarHBondContact O-N 2.99Å; E105-E108 PolarHBondContact O-N 2.97Å; E108-T110 VanDerWaalsContact C-N 3.29Å; E108-T110 PolarHBondContact O-N 3.21Å; E108-K115 PolarHBondContact O-NZ 3.31Å; E108-K115 VanDerWaalsContact O-NZ 3.14Å |
| 109 | N | 82.4 | Confident | 82 | Confident | 133 Ų | 133 | 109.9 Ų | 109.9 | 71% | 0.711 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -75.6 | -13.3 | -178.3 | -155.8 | -6.2 | 0 | 0 | 0 | 113.6 | E105 E106 | E105-N109 VanDerWaalsContact O-CB 3.22Å; E105-N109 WeakPolarHBondContact O-CB 3.4Å; E105-N109 PolarHBondContact O-N 3.41Å; E106-N109 PolarHBondContact O-N 3.27Å |
| 110 | T | 81.2 | Confident | 80.8 | Confident | 52 Ų | 52 | 110.4 Ų | 110.4 | 32% | 0.319 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -66.1 | 129.4 | 174.7 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | E106 Q107 E108 V114 K115 | E106-T110 WeakPolarHBondContact O-CB 3.48Å; E106-T110 PolarHBondContact O-N 3.43Å; E106-T110 PolarHBondContact O-OG1 2.99Å; Q107-T110 PolarHBondContact O-N 2.94Å; E108-T110 VanDerWaalsContact C-N 3.29Å; E108-T110 PolarHBondContact O-N 3.21Å; T110-V114 HydrophobicContact CG2-CB 3.91Å; T110-V114 HydrophobicContact CG2-CG1 3.99Å; T110-K115 HydrophobicContact CG2-CG 4.4Å; T110-K115 WeakPolarHBondContact O-CE 3.45Å; T110-K115 PolarHBondContact O-NZ 3.34Å; T110-K115 VanDerWaalsContact O-NZ 3.12Å |
| 111 | P | 82.8 | Confident | 79.6 | Confident | 67 Ų | 67 | 113.7 Ų | 113.7 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | trans | -58.3 | 142.2 | -179.9 | -24.2 | 32.3 | 0 | 0 | 0 | 113.5 | F113 V114 K115 | P111-F113 VanDerWaalsContact C-N 3.29Å; P111-F113 HydrophobicContact CB-CD1 3.61Å; P111-F113 HydrophobicContact CB-CE1 3.26Å; P111-F113 HydrophobicContact CB-CZ 4Å; P111-F113 HydrophobicContact CG-CE1 3.98Å; P111-F113 HydrophobicContact CG-CZ 4.37Å; P111-F113 PolarHBondContact O-N 3.46Å; P111-V114 HydrophobicContact CB-CG2 4.41Å; P111-V114 WeakPolarHBondContact O-CB 3.28Å; P111-V114 PolarHBondContact O-N 3.46Å; P111-K115 PolarHBondContact O-N 2.91Å | ||
| 112 | E | 78.9 | Confident | 78.4 | Confident | 153 Ų | 153 | 115.6 Ų | 115.6 | 72% | 0.715 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.4 | -34.4 | -174.1 | -64.8 | -167 | 164.5 | 0 | 0 | 114.4 | V114 K115 M116 | E112-V114 PolarHBondContact O-N 3.3Å; E112-K115 WeakPolarHBondContact O-CB 3.27Å; E112-K115 PolarHBondContact O-N 3.11Å; E112-K115 VanDerWaalsContact O-N 3.11Å; E112-M116 WeakPolarHBondContact O-CG 3.38Å; E112-M116 PolarHBondContact O-N 3.44Å |
| 113 | F | 77.7 | Confident | 76.9 | Confident | 155 Ų | 155 | 113.6 Ų | 113.6 | 68% | 0.68 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.1 | -28.5 | 178.8 | 70.2 | -94 | 0 | 0 | 0 | 112.5 | P111 K117 | P111-F113 VanDerWaalsContact C-N 3.29Å; P111-F113 HydrophobicContact CB-CD1 3.61Å; P111-F113 HydrophobicContact CB-CE1 3.26Å; P111-F113 HydrophobicContact CB-CZ 4Å; P111-F113 HydrophobicContact CG-CE1 3.98Å; P111-F113 HydrophobicContact CG-CZ 4.37Å; P111-F113 PolarHBondContact O-N 3.46Å; F113-K117 WeakPolarHBondContact O-CB 3.31Å; F113-K117 PolarHBondContact O-N 2.6Å; F113-K117 VanDerWaalsContact O-N 3.11Å |
| 114 | V | 78.9 | Confident | 75.7 | Confident | 69 Ų | 69 | 117.9 Ų | 117.9 | 42% | 0.418 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73 | -41.4 | 174.3 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | T110 P111 E112 K117 G118 | T110-V114 HydrophobicContact CG2-CB 3.91Å; T110-V114 HydrophobicContact CG2-CG1 3.99Å; P111-V114 HydrophobicContact CB-CG2 4.41Å; P111-V114 WeakPolarHBondContact O-CB 3.28Å; P111-V114 PolarHBondContact O-N 3.46Å; E112-V114 PolarHBondContact O-N 3.3Å; V114-K117 PolarHBondContact O-N 2.79Å; V114-G118 PolarHBondContact O-N 3.34Å |
| 115 | K | 76.1 | Confident | 74.5 | Confident | 89 Ų | 89 | 118.8 Ų | 118.8 | 39% | 0.387 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.6 | -44.6 | 175.2 | -61.8 | 176 | 177.2 | 163.3 | 0 | 111.3 | Q107 E108 T110 P111 E112 G118 | Q107-K115 WeakPolarHBondContact O-CE 3.28Å; Q107-K115 PolarHBondContact O-NZ 3.25Å; E108-K115 PolarHBondContact O-NZ 3.31Å; E108-K115 VanDerWaalsContact O-NZ 3.14Å; T110-K115 HydrophobicContact CG2-CG 4.4Å; T110-K115 WeakPolarHBondContact O-CE 3.45Å; T110-K115 PolarHBondContact O-NZ 3.34Å; T110-K115 VanDerWaalsContact O-NZ 3.12Å; P111-K115 PolarHBondContact O-N 2.91Å; E112-K115 WeakPolarHBondContact O-CB 3.27Å; E112-K115 PolarHBondContact O-N 3.11Å; E112-K115 VanDerWaalsContact O-N 3.11Å; K115-G118 PolarHBondContact O-N 2.91Å |
| 116 | M | 75.3 | Confident | 73.1 | Confident | 137 Ų | 137 | 119.5 Ų | 119.5 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.8 | -34.1 | 178.9 | -70.4 | -115.5 | -86.3 | 0 | 0 | 113.3 | E112 G118 N119 L120 | E112-M116 WeakPolarHBondContact O-CG 3.38Å; E112-M116 PolarHBondContact O-N 3.44Å; M116-G118 VanDerWaalsContact C-N 3.31Å; M116-G118 PolarHBondContact O-N 3.08Å; M116-N119 PolarHBondContact O-N 3.47Å; M116-L120 PolarHBondContact O-N 3.19Å |
| 117 | K | 71.3 | Confident | 71.8 | Confident | 162 Ų | 162 | 116 Ų | 116 | 70% | 0.704 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.7 | -37.3 | 176.8 | -171.6 | -175.1 | -179.7 | -176.3 | 0 | 112.5 | F113 V114 R121 | F113-K117 WeakPolarHBondContact O-CB 3.31Å; F113-K117 PolarHBondContact O-N 2.6Å; F113-K117 VanDerWaalsContact O-N 3.11Å; V114-K117 PolarHBondContact O-N 2.79Å; K117-R121 PolarHBondContact O-N 2.94Å; K117-R121 VanDerWaalsContact O-N 3.15Å |
| 118 | G | 68.1 | Low | 70.7 | Confident | 30 Ų | 30 | 111.7 Ų | 111.7 | 31% | 0.309 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.2 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V114 K115 M116 R121 R122 | V114-G118 PolarHBondContact O-N 3.34Å; K115-G118 PolarHBondContact O-N 2.91Å; M116-G118 VanDerWaalsContact C-N 3.31Å; M116-G118 PolarHBondContact O-N 3.08Å; G118-R121 PolarHBondContact O-N 2.92Å; G118-R122 PolarHBondContact O-N 2.67Å |
| 119 | N | 70.9 | Confident | 69.4 | Low | 83 Ų | 83 | 106.7 Ų | 106.7 | 44% | 0.444 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 177.5 | -65.2 | -13.9 | 0 | 0 | 0 | 111.7 | M116 R121 R122 T123 | M116-N119 PolarHBondContact O-N 3.47Å; N119-R121 VanDerWaalsContact C-N 3.28Å; N119-R121 PolarHBondContact O-N 3.13Å; N119-R122 PolarHBondContact O-N 3.31Å; N119-R122 PolarHBondContact OD1-NH2 3.36Å; N119-T123 PolarHBondContact O-N 3.03Å; N119-T123 PolarHBondContact O-OG1 2.89Å |
| 120 | L | 68.1 | Low | 68 | Low | 125 Ų | 125 | 107.9 Ų | 107.9 | 65% | 0.654 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.7 | -28.4 | 177 | -159.8 | 68.2 | 0 | 0 | 0 | 113 | M116 T123 K124 | M116-L120 PolarHBondContact O-N 3.19Å; L120-T123 PolarHBondContact O-OG1 2.87Å; L120-K124 WeakPolarHBondContact O-CB 3.3Å; L120-K124 PolarHBondContact O-N 3.37Å |
| 121 | R | 66.8 | Low | 66.6 | Low | 179 Ų | 179 | 113.3 Ų | 113.3 | 68% | 0.675 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.3 | -38.8 | 173.1 | -172.8 | 178.6 | 178.7 | -123.5 | 0.3 | 112.1 | K117 G118 N119 Q125 | K117-R121 PolarHBondContact O-N 2.94Å; K117-R121 VanDerWaalsContact O-N 3.15Å; G118-R121 PolarHBondContact O-N 2.92Å; N119-R121 VanDerWaalsContact C-N 3.28Å; N119-R121 PolarHBondContact O-N 3.13Å; R121-Q125 PolarHBondContact O-N 3.24Å |
| 122 | R | 67 | Low | 64.9 | Low | 154 Ų | 154 | 118.7 Ų | 118.7 | 58% | 0.581 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.3 | -47.1 | 177.1 | -79.4 | -174.1 | -84.1 | -139.6 | 1.3 | 111.9 | G118 N119 K124 Q125 E126 | G118-R122 PolarHBondContact O-N 2.67Å; N119-R122 PolarHBondContact O-N 3.31Å; N119-R122 PolarHBondContact OD1-NH2 3.36Å; R122-K124 VanDerWaalsContact C-N 3.31Å; R122-K124 PolarHBondContact O-N 3.15Å; R122-Q125 PolarHBondContact O-N 3.28Å; R122-Q125 VanDerWaalsContact O-N 3.08Å; R122-E126 PolarHBondContact O-N 3.08Å; R122-E126 VanDerWaalsContact O-N 3.07Å |
| 123 | T | 62.7 | Low | 63.4 | Low | 74 Ų | 74 | 115.3 Ų | 115.3 | 45% | 0.454 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.5 | -33.9 | 177.6 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | N119 L120 Q125 E126 A127 | N119-T123 PolarHBondContact O-N 3.03Å; N119-T123 PolarHBondContact O-OG1 2.89Å; L120-T123 PolarHBondContact O-OG1 2.87Å; T123-Q125 VanDerWaalsContact C-N 3.34Å; T123-Q125 PolarHBondContact O-N 2.91Å; T123-E126 PolarHBondContact O-N 3.14Å; T123-A127 VanDerWaalsContact O-CB 3.3Å; T123-A127 WeakPolarHBondContact O-CB 3.48Å; T123-A127 PolarHBondContact O-N 2.81Å |
| 124 | K | 63 | Low | 61.5 | Low | 166 Ų | 166 | 117.6 Ų | 117.6 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65 | -33 | 171.9 | -103.5 | -165.7 | 173.6 | -168.1 | 0 | 113.9 | L120 R122 G128 | L120-K124 WeakPolarHBondContact O-CB 3.3Å; L120-K124 PolarHBondContact O-N 3.37Å; R122-K124 VanDerWaalsContact C-N 3.31Å; R122-K124 PolarHBondContact O-N 3.15Å; K124-G128 PolarHBondContact O-N 3.25Å; K124-G128 VanDerWaalsContact O-N 3.08Å |
| 125 | Q | 61.5 | Low | 60.6 | Low | 130 Ų | 130 | 120.1 Ų | 120.1 | 61% | 0.607 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.5 | -37.2 | 176.6 | -99.5 | 178.2 | -45.6 | 0 | 0 | 112.1 | R121 R122 T123 G129 | R121-Q125 PolarHBondContact O-N 3.24Å; R122-Q125 PolarHBondContact O-N 3.28Å; R122-Q125 VanDerWaalsContact O-N 3.08Å; T123-Q125 VanDerWaalsContact C-N 3.34Å; T123-Q125 PolarHBondContact O-N 2.91Å; Q125-G129 PolarHBondContact O-N 2.8Å |
| 126 | E | 59 | Low | 59.8 | Low | 143 Ų | 143 | 121.7 Ų | 121.7 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.9 | -43.6 | 173.6 | -71 | 174.3 | 174.6 | 0 | 0 | 111.2 | R122 T123 G128 G129 | R122-E126 PolarHBondContact O-N 3.08Å; R122-E126 VanDerWaalsContact O-N 3.07Å; T123-E126 PolarHBondContact O-N 3.14Å; E126-G128 PolarHBondContact O-N 2.98Å; E126-G129 PolarHBondContact O-N 2.89Å |
| 127 | A | 57.9 | Low | 59 | Low | 55 Ų | 55 | 120.8 Ų | 120.8 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.5 | -33.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | T123 G129 | T123-A127 VanDerWaalsContact O-CB 3.3Å; T123-A127 WeakPolarHBondContact O-CB 3.48Å; T123-A127 PolarHBondContact O-N 2.81Å; A127-G129 VanDerWaalsContact C-N 3.33Å |
| 128 | G | 55 | Low | 58.2 | Low | 35 Ų | 35 | 118.4 Ų | 118.4 | 36% | 0.361 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -79.1 | -10.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K124 E126 | K124-G128 PolarHBondContact O-N 3.25Å; K124-G128 VanDerWaalsContact O-N 3.08Å; E126-G128 PolarHBondContact O-N 2.98Å |
| 129 | G | 53.4 | Low | 57.6 | Low | 50 Ų | 50 | 123.9 Ų | 123.9 | 52% | 0.515 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -84.4 | -24.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q125 E126 A127 | Q125-G129 PolarHBondContact O-N 2.8Å; E126-G129 PolarHBondContact O-N 2.89Å; A127-G129 VanDerWaalsContact C-N 3.33Å |
| 130 | E | 52.3 | Low | 56.7 | Low | 157 Ų | 157 | 126.7 Ų | 126.7 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -79.9 | -24.9 | 177 | -67.5 | -175.8 | 160.9 | 0 | 0 | 112.6 | Q132 | E130-Q132 VanDerWaalsContact C-N 3.3Å; E130-Q132 PolarHBondContact O-N 3.36Å |
| 131 | E | 52 | Low | 55.9 | Low | 166 Ų | 166 | 126.8 Ų | 126.8 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -7.1 | 179.4 | -73 | -175.7 | 165 | 0 | 0 | 114.9 | ||
| 132 | Q | 47.3 | Very low | 55.1 | Low | 181 Ų | 181 | 122.8 Ų | 122.8 | 85% | 0.846 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 5.5 | 177.6 | -68 | -167.6 | 38.8 | 0 | 0 | 114.4 | E130 | E130-Q132 VanDerWaalsContact C-N 3.3Å; E130-Q132 PolarHBondContact O-N 3.36Å |
| 133 | A | 46.8 | Very low | 54.1 | Low | 82 Ų | 82 | 120.2 Ų | 120.2 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | trans | -122.8 | 53.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 134 | T | 38.3 | Very low | 53.3 | Low | 203 Ų | 203 | 124.4 Ų | 124.4 | 100% | 1.245 | 69% | 0.692 | S | S | * | * | trans | -148.1 | 0 | 160.6 | 37.2 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 134 of 134 residues in 26 ms
(Link to these results)