| 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 | 38.6 | Very low | 45.6 | Very low | 229 Ų | 229 | 152.6 Ų | 152.6 | 100% | 1.128 | 84% | 0.837 | S | S | * | * | 0 | 89.5 | 0 | -63.6 | -60.6 | 157.4 | 0 | 0 | 105.8 | |||||
| 2 | A | 40.8 | Very low | 46.5 | Very low | 89 Ų | 89 | 155.7 Ų | 155.7 | 74% | 0.736 | 84% | 0.835 | S | S | * | * | 61.5 | 118.3 | 84.4 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 3 | S | 48.2 | Very low | 46.4 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | cis | -163 | 151.3 | 26.6 | -73 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 4 | Q | 50.3 | Low | 46.8 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -83.1 | 114.1 | 167.9 | -160.7 | 164.7 | 28 | 0 | 0 | 107.2 | R6 | Q4-R6 PolarHBondContact O-N 3.4Š| ||
| 5 | E | 46.6 | Very low | 46.8 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 116.7 | 173.2 | -83.4 | -166.4 | 152.1 | 0 | 0 | 109.7 | ||
| 6 | R | 50.2 | Low | 47 | Very low | 216 Ų | 216 | 146.1 Ų | 146.1 | 82% | 0.815 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 137.9 | 172.6 | -74.6 | -176.6 | 170.9 | 170.5 | -2.4 | 109.3 | Q4 | Q4-R6 PolarHBondContact O-N 3.4Š|
| 7 | V | 46 | Very low | 47.2 | Very low | 139 Ų | 139 | 151.1 Ų | 151.1 | 84% | 0.842 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 126.8 | 167.1 | -70.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 8 | D | 38.8 | Very low | 47.7 | Very low | 156 Ų | 156 | 155.4 Ų | 155.4 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | -118.1 | 105.2 | 166.3 | -76.8 | -31.9 | 0 | 0 | 0 | 109.2 | V10 | D8-V10 PolarHBondContact O-N 3.45Š| ||
| 9 | S | 49.8 | Very low | 47.5 | Very low | 105 Ų | 105 | 153.5 Ų | 153.5 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | trans | -69.5 | 120.3 | 171.7 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | T11 | S9-T11 PolarHBondContact O-N 3.19Š| ||
| 10 | V | 43.3 | Very low | 47.6 | Very low | 130 Ų | 130 | 155.1 Ų | 155.1 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | trans | -68.4 | 101.6 | 170.3 | 172.6 | 0 | 0 | 0 | 0 | 109.1 | D8 K12 | D8-V10 PolarHBondContact O-N 3.45Å; V10-K12 HydrophobicContact CG1-CG 4.44Å; V10-K12 PolarHBondContact O-N 3.05Å | ||
| 11 | T | 49.5 | Very low | 48 | Very low | 128 Ų | 128 | 157.3 Ų | 157.3 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -74.2 | 101.6 | 167.8 | 45.3 | 0 | 0 | 0 | 0 | 108.7 | S9 G13 | S9-T11 PolarHBondContact O-N 3.19Å; T11-G13 PolarHBondContact O-N 2.99Å | ||
| 12 | K | 55.5 | Low | 48.7 | Very low | 189 Ų | 189 | 155.1 Ų | 155.1 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -67.5 | 100.4 | 167.7 | -74.9 | -173 | 177.8 | 178.8 | 0 | 108.3 | V10 T14 | V10-K12 HydrophobicContact CG1-CG 4.44Å; V10-K12 PolarHBondContact O-N 3.05Å; K12-T14 PolarHBondContact O-N 2.88Å | ||
| 13 | G | 45.8 | Very low | 49.5 | Very low | 76 Ų | 76 | 154.9 Ų | 154.9 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -57.7 | 107 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T11 G15 | T11-G13 PolarHBondContact O-N 2.99Å; G13-G15 PolarHBondContact O-N 3Å | ||
| 14 | T | 51.8 | Low | 50.1 | Low | 136 Ų | 136 | 152.3 Ų | 152.3 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 79.6 | 167.9 | 46.4 | 0 | 0 | 0 | 0 | 108.8 | K12 F16 | K12-T14 PolarHBondContact O-N 2.88Å; T14-F16 VanDerWaalsContact C-N 3.31Å; T14-F16 PolarHBondContact O-N 3Å | ||
| 15 | G | 46.4 | Very low | 50.7 | Low | 67 Ų | 67 | 151 Ų | 151 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -69.7 | 91.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | G13 R17 | G13-G15 PolarHBondContact O-N 3Å; G15-R17 PolarHBondContact O-N 2.79Å | ||
| 16 | F | 49.9 | Very low | 51.8 | Low | 190 Ų | 190 | 145.9 Ų | 145.9 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | trans | -66.4 | 83.3 | 169.3 | -149.5 | -91.4 | 0 | 0 | 0 | 107.8 | T14 R18 | T14-F16 VanDerWaalsContact C-N 3.31Å; T14-F16 PolarHBondContact O-N 3Å; F16-R18 PolarHBondContact O-N 3.05Å | ||
| 17 | R | 50.8 | Low | 52.7 | Low | 232 Ų | 232 | 140.6 Ų | 140.6 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | trans | -62.7 | 104.7 | 168.5 | -69.2 | -157.3 | -160 | -105.9 | 6.9 | 105.8 | G15 C19 | G15-R17 PolarHBondContact O-N 2.79Å; R17-C19 PolarHBondContact O-N 2.9Å | ||
| 18 | R | 55.4 | Low | 54 | Low | 229 Ų | 229 | 135.8 Ų | 135.8 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | -60.6 | 105.8 | 167.8 | -63.6 | -169.5 | -137.3 | -149.1 | 4.6 | 106.4 | F16 R20 | F16-R18 PolarHBondContact O-N 3.05Å; R18-R20 PolarHBondContact O-N 2.93Å | ||
| 19 | C | 44.3 | Very low | 55.6 | Low | 119 Ų | 119 | 130 Ų | 130 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -52.9 | 117.3 | 166.4 | -91 | 0 | 0 | 0 | 0 | 107.4 | R17 K21 | R17-C19 PolarHBondContact O-N 2.9Å; C19-K21 PolarHBondContact O-N 3.08Å; C19-K21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | R | 50 | Low | 56.8 | Low | 185 Ų | 185 | 127.8 Ų | 127.8 | 70% | 0.698 | 70% | 0.696 | S | S | * | * | trans | -57.7 | 115.8 | 168.6 | -168.9 | 178.1 | -172.7 | -175.1 | 1.7 | 105.9 | R18 Q22 S47 | R18-R20 PolarHBondContact O-N 2.93Å; R20-Q22 PolarHBondContact O-N 2.84Å; R20-S47 PolarHBondContact NH2-OG 3Å | ||
| 21 | K | 55.4 | Low | 58.5 | Low | 201 Ų | 201 | 128.5 Ų | 128.5 | 87% | 0.874 | 69% | 0.691 | S | S | * | * | trans | -54.9 | 115.8 | 172.5 | -69.7 | -170.1 | 178.8 | -173.9 | 0 | 106.5 | C19 A23 | C19-K21 PolarHBondContact O-N 3.08Å; C19-K21 VanDerWaalsContact O-N 3.08Å; K21-A23 PolarHBondContact O-N 3.47Å | ||
| 22 | Q | 53.6 | Low | 60 | Low | 184 Ų | 184 | 127.5 Ų | 127.5 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | trans | -61.6 | 129.4 | 168 | -61.7 | -169.2 | 37.1 | 0 | 0 | 105.9 | R20 G24 | R20-Q22 PolarHBondContact O-N 2.84Å; Q22-G24 PolarHBondContact O-N 3.44Å | ||
| 23 | A | 58.6 | Low | 61.1 | Low | 83 Ų | 83 | 121.4 Ų | 121.4 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | trans | -64.5 | 95.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | K21 | K21-A23 PolarHBondContact O-N 3.47Š| ||
| 24 | G | 59.7 | Low | 62.9 | Low | 61 Ų | 61 | 128.9 Ų | 128.9 | 63% | 0.629 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 132.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q22 T26 | Q22-G24 PolarHBondContact O-N 3.44Å; G24-T26 PolarHBondContact O-N 2.88Å |
| 25 | Y | 63.6 | Low | 64.4 | Low | 150 Ų | 150 | 125.7 Ų | 125.7 | 59% | 0.588 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 134.1 | 160 | -73.2 | -79.6 | 0 | 0 | 0 | 108.8 | T29 C30 L33 | Y25-T29 WeakPolarHBondContact CB-OG1 3.43Å; Y25-C30 WeakPolarHBondContact CB-SG 3.46Å; Y25-L33 HydrophobicContact CD1-CD1 4.34Å; Y25-L33 HydrophobicContact CE1-CD1 4.29Å |
| 26 | T | 68.9 | Low | 66.3 | Low | 87 Ų | 87 | 125.8 Ų | 125.8 | 53% | 0.534 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 149.7 | 173 | 61.3 | 0 | 0 | 0 | 0 | 108.6 | G24 G28 T29 C30 | G24-T26 PolarHBondContact O-N 2.88Å; T26-G28 PolarHBondContact O-N 2.68Å; T26-G28 VanDerWaalsContact O-N 3.08Å; T26-T29 PolarHBondContact N-OG1 3.2Å; T26-T29 PolarHBondContact O-N 3.34Å; T26-T29 PolarHBondContact O-OG1 3.08Å; T26-T29 WeakPolarHBondContact OG1-CG2 3.47Å; T26-T29 PolarHBondContact OG1-OG1 3.44Å; T26-C30 PolarHBondContact O-N 3.2Å |
| 27 | P | 69.2 | Low | 67.7 | Low | 106 Ų | 106 | 118.5 Ų | 118.5 | 69% | 0.688 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -49.9 | -39.9 | -176.7 | -28.8 | 34.7 | 0 | 0 | 0 | 113.8 | T29 C30 E31 | P27-T29 PolarHBondContact O-N 3.4Å; P27-C30 WeakPolarHBondContact O-CB 3.43Å; P27-C30 PolarHBondContact O-N 2.98Å; P27-E31 PolarHBondContact O-N 3.49Å |
| 28 | G | 73.9 | Confident | 69.1 | Low | 37 Ų | 37 | 113.3 Ų | 113.3 | 38% | 0.381 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.6 | -31.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T26 C30 E31 L32 | T26-G28 PolarHBondContact O-N 2.68Å; T26-G28 VanDerWaalsContact O-N 3.08Å; G28-C30 VanDerWaalsContact C-N 3.35Å; G28-E31 PolarHBondContact O-N 3.17Å; G28-L32 PolarHBondContact O-N 3.07Å |
| 29 | T | 71.9 | Confident | 70.1 | Confident | 34 Ų | 34 | 108.3 Ų | 108.3 | 21% | 0.209 | 62% | 0.617 | C | S | . | * | H | α-helix | trans | -70.5 | -32.7 | 173.7 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | Y25 T26 P27 L33 | Y25-T29 WeakPolarHBondContact CB-OG1 3.43Å; T26-T29 PolarHBondContact N-OG1 3.2Å; T26-T29 PolarHBondContact O-N 3.34Å; T26-T29 PolarHBondContact O-OG1 3.08Å; T26-T29 WeakPolarHBondContact OG1-CG2 3.47Å; T26-T29 PolarHBondContact OG1-OG1 3.44Å; P27-T29 PolarHBondContact O-N 3.4Å; T29-L33 VanDerWaalsContact O-CG 3.28Å; T29-L33 WeakPolarHBondContact O-CG 3.37Å; T29-L33 PolarHBondContact O-N 3.09Å; T29-L33 VanDerWaalsContact O-N 3.14Å |
| 30 | C | 74.3 | Confident | 71.5 | Confident | 59 Ų | 59 | 105.5 Ų | 105.5 | 40% | 0.399 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.4 | -37.6 | 175.3 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | Y25 T26 P27 G28 R34 | Y25-C30 WeakPolarHBondContact CB-SG 3.46Å; T26-C30 PolarHBondContact O-N 3.2Å; P27-C30 WeakPolarHBondContact O-CB 3.43Å; P27-C30 PolarHBondContact O-N 2.98Å; G28-C30 VanDerWaalsContact C-N 3.35Å; C30-R34 WeakPolarHBondContact O-CB 3.28Å; C30-R34 PolarHBondContact O-N 3.22Å; C30-R34 VanDerWaalsContact O-N 3.09Å |
| 31 | E | 79.9 | Confident | 72.5 | Confident | 145 Ų | 145 | 105 Ų | 105 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.2 | -44 | 175.9 | -73.5 | 179 | 174.6 | 0 | 0 | 112 | P27 G28 L33 R34 G35 | P27-E31 PolarHBondContact O-N 3.49Å; G28-E31 PolarHBondContact O-N 3.17Å; E31-L33 VanDerWaalsContact C-N 3.35Å; E31-L33 PolarHBondContact O-N 3.47Å; E31-R34 PolarHBondContact O-N 3.28Å; E31-G35 PolarHBondContact O-N 3.14Å |
| 32 | L | 80.6 | Confident | 72.8 | Confident | 108 Ų | 108 | 104 Ų | 104 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -58.4 | -44.3 | 175.3 | -79.5 | 160.8 | 0 | 0 | 0 | 112.4 | G28 R34 G35 G36 A37 | G28-L32 PolarHBondContact O-N 3.07Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.43Å; L32-G35 CarbonylContact O-C 3.57Å; L32-G35 PolarHBondContact O-N 3.19Å; L32-G36 PolarHBondContact O-N 2.63Å; L32-A37 HydrophobicContact CB-CB 4.13Å; L32-A37 HydrophobicContact CD2-CB 4.06Å; L32-A37 VanDerWaalsContact O-CB 3.27Å; L32-A37 WeakPolarHBondContact O-CB 3.27Å; L32-A37 PolarHBondContact O-N 3.22Å; L32-A37 VanDerWaalsContact O-N 3.08Å |
| 33 | L | 79.5 | Confident | 73.4 | Confident | 60 Ų | 60 | 100.4 Ų | 100.4 | 31% | 0.314 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.5 | -39.8 | 176.7 | -71.1 | 169.2 | 0 | 0 | 0 | 111.9 | Y25 T29 E31 G35 G36 L39 | Y25-L33 HydrophobicContact CD1-CD1 4.34Å; Y25-L33 HydrophobicContact CE1-CD1 4.29Å; T29-L33 VanDerWaalsContact O-CG 3.28Å; T29-L33 WeakPolarHBondContact O-CG 3.37Å; T29-L33 PolarHBondContact O-N 3.09Å; T29-L33 VanDerWaalsContact O-N 3.14Å; E31-L33 VanDerWaalsContact C-N 3.35Å; E31-L33 PolarHBondContact O-N 3.47Å; L33-G35 PolarHBondContact O-N 3.17Å; L33-G36 PolarHBondContact O-N 3.22Å; L33-G36 VanDerWaalsContact O-N 3.17Å; L33-L39 HydrophobicContact CD2-CD2 3.48Å; L33-L39 VanDerWaalsContact CD2-CD2 3.48Å |
| 34 | R | 82.4 | Confident | 73.6 | Confident | 234 Ų | 234 | 102.8 Ų | 102.8 | 88% | 0.883 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.9 | -26.8 | 177.8 | -156.1 | 179 | -80.3 | -106.6 | 5.5 | 111.8 | C30 E31 L32 | C30-R34 WeakPolarHBondContact O-CB 3.28Å; C30-R34 PolarHBondContact O-N 3.22Å; C30-R34 VanDerWaalsContact O-N 3.09Å; E31-R34 PolarHBondContact O-N 3.28Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.43Å |
| 35 | G | 84.7 | Confident | 73.8 | Confident | 69 Ų | 69 | 103.9 Ų | 103.9 | 71% | 0.711 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 3.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E31 L32 L33 | E31-G35 PolarHBondContact O-N 3.14Å; L32-G35 CarbonylContact O-C 3.57Å; L32-G35 PolarHBondContact O-N 3.19Å; L33-G35 PolarHBondContact O-N 3.17Å |
| 36 | G | 85.2 | Confident | 73.5 | Confident | 69 Ų | 69 | 101.5 Ų | 101.5 | 71% | 0.711 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.5 | 16.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L32 L33 | L32-G36 PolarHBondContact O-N 2.63Å; L33-G36 PolarHBondContact O-N 3.22Å; L33-G36 VanDerWaalsContact O-N 3.17Å |
| 37 | A | 80.8 | Confident | 72.8 | Confident | 36 Ų | 36 | 101.5 Ų | 101.5 | 30% | 0.298 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 151.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L32 | L32-A37 HydrophobicContact CB-CB 4.13Å; L32-A37 HydrophobicContact CD2-CB 4.06Å; L32-A37 VanDerWaalsContact O-CB 3.27Å; L32-A37 WeakPolarHBondContact O-CB 3.27Å; L32-A37 PolarHBondContact O-N 3.22Å; L32-A37 VanDerWaalsContact O-N 3.08Å |
| 38 | P | 80.2 | Confident | 72.2 | Confident | 123 Ų | 123 | 101 Ų | 101 | 80% | 0.799 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148.7 | 177.1 | 24.9 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 39 | L | 75.9 | Confident | 71.1 | Confident | 125 Ų | 125 | 105.8 Ų | 105.8 | 65% | 0.654 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 142.9 | -179.8 | -70.1 | 166.5 | 0 | 0 | 0 | 111 | L33 L41 | L33-L39 HydrophobicContact CD2-CD2 3.48Å; L33-L39 VanDerWaalsContact CD2-CD2 3.48Å; L39-L41 PolarHBondContact O-N 3.35Å |
| 40 | P | 74.3 | Confident | 70.1 | Confident | 59 Ų | 59 | 114.9 Ų | 114.9 | 38% | 0.383 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 123.5 | 178.6 | -21.3 | 30.3 | 0 | 0 | 0 | 111 | Q42 | P40-Q42 PolarHBondContact O-N 3.07Š|
| 41 | L | 69.3 | Low | 69 | Low | 175 Ų | 175 | 115.3 Ų | 115.3 | 92% | 0.916 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -67 | -21.6 | 177.6 | -63.4 | 177.5 | 0 | 0 | 0 | 112.5 | L39 | L39-L41 PolarHBondContact O-N 3.35Š|
| 42 | Q | 63.6 | Low | 68 | Low | 180 Ų | 180 | 113 Ų | 113 | 84% | 0.841 | 66% | 0.662 | S | S | * | * | trans | -114.4 | 104.5 | 175.4 | -67.3 | -176.4 | 2.9 | 0 | 0 | 109.1 | P40 | P40-Q42 PolarHBondContact O-N 3.07Š| ||
| 43 | C | 66.2 | Low | 67 | Low | 109 Ų | 109 | 113.2 Ų | 113.2 | 74% | 0.736 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -89 | 140.9 | 163.9 | 48.5 | 0 | 0 | 0 | 0 | 109 | ||
| 44 | N | 61.4 | Low | 66.1 | Low | 133 Ų | 133 | 115.5 Ų | 115.5 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 131.5 | 168.2 | -74.2 | -52.7 | 0 | 0 | 0 | 107.8 | T46 | N44-T46 PolarHBondContact O-N 3.08Š|
| 45 | P | 64.7 | Low | 65.1 | Low | 84 Ų | 84 | 113.8 Ų | 113.8 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 123.1 | -177.1 | 20.9 | -30.9 | 0 | 0 | 0 | 108.5 | S47 L49 | P45-S47 PolarHBondContact O-N 3.05Å; P45-L49 HydrophobicContact CB-CB 3.94Å |
| 46 | T | 56.2 | Low | 63.9 | Low | 100 Ų | 100 | 119.7 Ų | 119.7 | 61% | 0.613 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 131.8 | 161.4 | 46.5 | 0 | 0 | 0 | 0 | 106.5 | N44 S48 L49 | N44-T46 PolarHBondContact O-N 3.08Å; T46-S48 PolarHBondContact O-N 3.18Å; T46-S48 PolarHBondContact O-OG 3.33Å; T46-L49 PolarHBondContact O-N 3.28Å; T46-L49 VanDerWaalsContact O-N 3.07Å |
| 47 | S | 54.4 | Low | 62.8 | Low | 87 Ų | 87 | 121.2 Ų | 121.2 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | -2.6 | -166.2 | 73.2 | 0 | 0 | 0 | 0 | 117.6 | R20 P45 | R20-S47 PolarHBondContact NH2-OG 3Å; P45-S47 PolarHBondContact O-N 3.05Å |
| 48 | S | 56.7 | Low | 62 | Low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -22.1 | 172.5 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | T46 R50 | T46-S48 PolarHBondContact O-N 3.18Å; T46-S48 PolarHBondContact O-OG 3.33Å; S48-R50 VanDerWaalsContact C-N 3.27Å; S48-R50 PolarHBondContact O-N 3.11Å; S48-R50 VanDerWaalsContact O-N 3.11Å |
| 49 | L | 51.2 | Low | 61.3 | Low | 137 Ų | 137 | 123.1 Ų | 123.1 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | -88.1 | 64.1 | 175 | -144.1 | 90.3 | 0 | 0 | 0 | 110.7 | P45 T46 G51 | P45-L49 HydrophobicContact CB-CB 3.94Å; T46-L49 PolarHBondContact O-N 3.28Å; T46-L49 VanDerWaalsContact O-N 3.07Å; L49-G51 PolarHBondContact O-N 2.9Å | ||
| 50 | R | 51.3 | Low | 60.7 | Low | 225 Ų | 225 | 121.5 Ų | 121.5 | 85% | 0.849 | 73% | 0.726 | S | S | * | * | trans | -71.6 | 105.9 | 155.1 | -85.5 | -152.1 | -73.5 | -95.6 | 3.6 | 106 | S48 S52 | S48-R50 VanDerWaalsContact C-N 3.27Å; S48-R50 PolarHBondContact O-N 3.11Å; S48-R50 VanDerWaalsContact O-N 3.11Å; R50-S52 PolarHBondContact O-N 3.18Å | ||
| 51 | G | 51.8 | Low | 60.3 | Low | 68 Ų | 68 | 125.4 Ų | 125.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -51.2 | 108.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | L49 | L49-G51 PolarHBondContact O-N 2.9Š| ||
| 52 | S | 57.6 | Low | 60.1 | Low | 96 Ų | 96 | 127.8 Ų | 127.8 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 134.3 | 168.2 | 51.6 | 0 | 0 | 0 | 0 | 106.7 | R50 S54 | R50-S52 PolarHBondContact O-N 3.18Å; S52-S54 PolarHBondContact O-N 3.37Å |
| 53 | P | 59.8 | Low | 60.3 | Low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 140.8 | 168.1 | 24 | -31.8 | 0 | 0 | 0 | 108.1 | K55 | P53-K55 PolarHBondContact O-N 2.88Š|
| 54 | S | 60.7 | Low | 60.4 | Low | 108 Ų | 108 | 122.3 Ų | 122.3 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 118.7 | 177 | 68.9 | 0 | 0 | 0 | 0 | 107.5 | S52 K56 | S52-S54 PolarHBondContact O-N 3.37Å; S54-K56 VanDerWaalsContact C-N 3.34Å; S54-K56 PolarHBondContact O-N 2.98Å |
| 55 | K | 60.6 | Low | 60.6 | Low | 199 Ų | 199 | 121.1 Ų | 121.1 | 87% | 0.865 | 71% | 0.712 | S | S | * | * | trans | -63 | 104.4 | 172.9 | -75.4 | -179.1 | 178.7 | 178.8 | 0 | 105.3 | P53 A57 | P53-K55 PolarHBondContact O-N 2.88Å; K55-A57 PolarHBondContact O-N 3.06Å | ||
| 56 | K | 60.4 | Low | 60.5 | Low | 193 Ų | 193 | 124.8 Ų | 124.8 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 125.5 | 161.7 | -66.3 | -176.2 | 178.8 | -178.3 | 0 | 105.7 | S54 A58 | S54-K56 VanDerWaalsContact C-N 3.34Å; S54-K56 PolarHBondContact O-N 2.98Å; K56-A58 PolarHBondContact O-N 3.19Å |
| 57 | A | 62.1 | Low | 60.6 | Low | 100 Ų | 100 | 125.9 Ų | 125.9 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 119.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | K55 S59 | K55-A57 PolarHBondContact O-N 3.06Å; A57-S59 PolarHBondContact O-N 3.38Å |
| 58 | A | 64.3 | Low | 61.1 | Low | 95 Ų | 95 | 123.8 Ų | 123.8 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 134.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | K56 A60 | K56-A58 PolarHBondContact O-N 3.19Å; A58-A60 PolarHBondContact O-N 2.9Å |
| 59 | S | 65.3 | Low | 61.4 | Low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 126.4 | 174.3 | 50.3 | 0 | 0 | 0 | 0 | 109 | A57 I61 | A57-S59 PolarHBondContact O-N 3.38Å; S59-I61 PolarHBondContact O-N 3.3Å |
| 60 | A | 62.5 | Low | 62.1 | Low | 90 Ų | 90 | 126.5 Ų | 126.5 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | trans | -55.9 | 111.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110 | A58 Y62 | A58-A60 PolarHBondContact O-N 2.9Å; A60-Y62 PolarHBondContact O-N 3.16Å | ||
| 61 | I | 66.2 | Low | 62.8 | Low | 141 Ų | 141 | 120.1 Ų | 120.1 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | trans | -72 | 110 | 170.7 | -58.3 | 172.8 | 0 | 0 | 0 | 105.8 | S59 L63 | S59-I61 PolarHBondContact O-N 3.3Å; I61-L63 HydrophobicContact CG2-CD2 4.25Å; I61-L63 HydrophobicContact CG2-CG 4.05Å; I61-L63 PolarHBondContact O-N 3.4Å | ||
| 62 | Y | 65.1 | Low | 64 | Low | 225 Ų | 225 | 125.8 Ų | 125.8 | 88% | 0.882 | 72% | 0.721 | S | S | * | * | trans | -72.9 | 91.5 | 173.5 | -114 | -92.3 | 0 | 0 | 0 | 108.7 | A60 | A60-Y62 PolarHBondContact O-N 3.16Š| ||
| 63 | L | 67 | Low | 65 | Low | 102 Ų | 102 | 127.9 Ų | 127.9 | 53% | 0.534 | 72% | 0.724 | S | S | . | * | trans | -82.8 | 140.6 | 169.4 | -71.8 | 169.8 | 0 | 0 | 0 | 109.5 | I61 | I61-L63 HydrophobicContact CG2-CD2 4.25Å; I61-L63 HydrophobicContact CG2-CG 4.05Å; I61-L63 PolarHBondContact O-N 3.4Å | ||
| 64 | P | 69.6 | Low | 66 | Low | 72 Ų | 72 | 131.4 Ų | 131.4 | 47% | 0.468 | 72% | 0.723 | S | S | . | * | trans | -59.9 | 144.2 | 175 | 23 | -31 | 0 | 0 | 0 | 110.5 | I66 L67 A68 | P64-I66 PolarHBondContact O-N 2.83Å; P64-L67 HydrophobicContact CG-CD1 4.21Å; P64-L67 HydrophobicContact CG-CG 4.45Å; P64-L67 PolarHBondContact O-N 3.36Å; P64-A68 PolarHBondContact O-N 3.22Å | ||
| 65 | P | 65.3 | Low | 67.2 | Low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -53.4 | -25.8 | -170.9 | -28.5 | 34.4 | 0 | 0 | 0 | 115.4 | L67 A68 | P65-L67 VanDerWaalsContact C-N 3.3Å; P65-L67 PolarHBondContact O-N 3.28Å; P65-A68 WeakPolarHBondContact O-CB 3.47Å; P65-A68 PolarHBondContact O-N 2.99Å |
| 66 | I | 61.5 | Low | 68.3 | Low | 162 Ų | 162 | 123.7 Ų | 123.7 | 83% | 0.831 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -70.7 | -27.6 | -178.2 | -37.2 | 174.4 | 0 | 0 | 0 | 111.8 | P64 | P64-I66 PolarHBondContact O-N 2.83Š|
| 67 | L | 60.2 | Low | 69.5 | Low | 122 Ų | 122 | 118.2 Ų | 118.2 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -101.4 | 1.2 | 177.2 | -59.2 | 179.7 | 0 | 0 | 0 | 112.3 | P64 P65 T69 | P64-L67 HydrophobicContact CG-CD1 4.21Å; P64-L67 HydrophobicContact CG-CG 4.45Å; P64-L67 PolarHBondContact O-N 3.36Å; P65-L67 VanDerWaalsContact C-N 3.3Å; P65-L67 PolarHBondContact O-N 3.28Å; L67-T69 PolarHBondContact O-N 3.05Å; L67-T69 VanDerWaalsContact O-N 3.16Å |
| 68 | A | 64.3 | Low | 70.6 | Confident | 44 Ų | 44 | 117.5 Ų | 117.5 | 36% | 0.364 | 66% | 0.663 | S | S | . | * | trans | -69.5 | 113 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | P64 P65 H70 | P64-A68 PolarHBondContact O-N 3.22Å; P65-A68 WeakPolarHBondContact O-CB 3.47Å; P65-A68 PolarHBondContact O-N 2.99Å; A68-H70 PolarHBondContact O-N 2.82Å | ||
| 69 | T | 63.1 | Low | 71.5 | Confident | 138 Ų | 138 | 115.2 Ų | 115.2 | 85% | 0.847 | 64% | 0.641 | S | S | * | * | trans | -63.1 | 100.5 | 169.6 | 53.7 | 0 | 0 | 0 | 0 | 107.6 | L67 S71 | L67-T69 PolarHBondContact O-N 3.05Å; L67-T69 VanDerWaalsContact O-N 3.16Å; T69-S71 PolarHBondContact O-N 3.39Å | ||
| 70 | H | 65.6 | Low | 72.4 | Confident | 151 Ų | 151 | 116.2 Ų | 116.2 | 70% | 0.699 | 63% | 0.634 | S | S | * | * | trans | -57.1 | 113.3 | 172.5 | -68.3 | -73.5 | 0 | 0 | 0 | 107.6 | A68 H72 | A68-H70 PolarHBondContact O-N 2.82Å; H70-H72 PolarHBondContact O-N 2.93Å | ||
| 71 | S | 66.4 | Low | 73.6 | Confident | 90 Ų | 90 | 115.5 Ų | 115.5 | 63% | 0.629 | 63% | 0.629 | S | S | * | * | trans | -61.3 | 116.6 | 174.4 | 61.3 | 0 | 0 | 0 | 0 | 107.6 | T69 L73 | T69-S71 PolarHBondContact O-N 3.39Å; S71-L73 PolarHBondContact O-N 3.35Å | ||
| 72 | H | 75.3 | Confident | 74.3 | Confident | 187 Ų | 187 | 115.5 Ų | 115.5 | 87% | 0.866 | 63% | 0.63 | S | S | * | * | trans | -66.4 | 6.2 | 174.3 | -61.7 | -66.8 | 0 | 0 | 0 | 113.3 | H70 | H70-H72 PolarHBondContact O-N 2.93Š| ||
| 73 | L | 79.4 | Confident | 75.3 | Confident | 141 Ų | 141 | 106.3 Ų | 106.3 | 74% | 0.738 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -77.4 | 138.9 | 177.6 | -57.1 | 179.5 | 0 | 0 | 0 | 110 | S71 | S71-L73 PolarHBondContact O-N 3.35Š|
| 74 | R | 81.6 | Confident | 76 | Confident | 187 Ų | 187 | 105.4 Ų | 105.4 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 135.4 | 173.6 | -66.5 | -69.4 | -176.8 | 165.3 | -0.3 | 109.5 | ||
| 75 | P | 86.2 | Confident | 76.6 | Confident | 78 Ų | 78 | 110.2 Ų | 110.2 | 51% | 0.506 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -55 | 146.4 | 169.9 | -24.8 | 32.8 | 0 | 0 | 0 | 111.6 | S77 L78 C79 | P75-S77 PolarHBondContact O-N 3.34Å; P75-S77 VanDerWaalsContact O-N 3.1Å; P75-L78 PolarHBondContact O-N 2.84Å; P75-C79 PolarHBondContact O-N 3.23Å |
| 76 | A | 83.8 | Confident | 77.6 | Confident | 66 Ų | 66 | 109.4 Ų | 109.4 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -55 | -33.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L78 C79 Q80 | A76-L78 PolarHBondContact O-N 2.68Å; A76-C79 PolarHBondContact O-N 2.94Å; A76-Q80 WeakPolarHBondContact O-CB 3.44Å; A76-Q80 VanDerWaalsContact O-CG 3.3Å; A76-Q80 WeakPolarHBondContact O-CG 3.46Å; A76-Q80 PolarHBondContact O-N 3.23Å |
| 77 | S | 85.2 | Confident | 78.9 | Confident | 78 Ų | 78 | 113 Ų | 113 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.9 | -41.8 | 176.5 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | P75 Q80 A81 | P75-S77 PolarHBondContact O-N 3.34Å; P75-S77 VanDerWaalsContact O-N 3.1Å; S77-Q80 PolarHBondContact O-N 2.9Å; S77-A81 WeakPolarHBondContact O-CB 3.37Å; S77-A81 PolarHBondContact O-N 3.28Å |
| 78 | L | 85.4 | Confident | 80.3 | Confident | 85 Ų | 85 | 115.9 Ų | 115.9 | 45% | 0.445 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69.2 | -35.7 | 177.2 | -69.3 | -174.1 | 0 | 0 | 0 | 111.8 | P75 A76 Q80 | P75-L78 PolarHBondContact O-N 2.84Å; A76-L78 PolarHBondContact O-N 2.68Å; L78-Q80 VanDerWaalsContact C-N 3.31Å |
| 79 | C | 81.7 | Confident | 81.5 | Confident | 47 Ų | 47 | 122 Ų | 122 | 32% | 0.318 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.4 | -37.6 | 174.6 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | P75 A76 Y85 | P75-C79 PolarHBondContact O-N 3.23Å; A76-C79 PolarHBondContact O-N 2.94Å; C79-Y85 HydrophobicContact CB-CE2 4.17Å; C79-Y85 WeakPolarHBondContact O-CE2 3.3Å |
| 80 | Q | 85.8 | Confident | 82.7 | Confident | 126 Ų | 126 | 124.1 Ų | 124.1 | 59% | 0.589 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.3 | -28.8 | -179.8 | -70.8 | 172.7 | 2 | 0 | 0 | 113.6 | A76 S77 L78 N82 G83 Y85 | A76-Q80 WeakPolarHBondContact O-CB 3.44Å; A76-Q80 VanDerWaalsContact O-CG 3.3Å; A76-Q80 WeakPolarHBondContact O-CG 3.46Å; A76-Q80 PolarHBondContact O-N 3.23Å; S77-Q80 PolarHBondContact O-N 2.9Å; L78-Q80 VanDerWaalsContact C-N 3.31Å; Q80-N82 PolarHBondContact O-N 3.27Å; Q80-N82 VanDerWaalsContact O-N 3.16Å; Q80-G83 PolarHBondContact O-N 3.04Å; Q80-Y85 HydrophobicContact CG-CD2 4.09Å; Q80-Y85 HydrophobicContact CG-CE2 4.27Å |
| 81 | A | 86.9 | Confident | 83.7 | Confident | 76 Ų | 76 | 125.3 Ų | 125.3 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -58.4 | -30 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S77 G83 | S77-A81 WeakPolarHBondContact O-CB 3.37Å; S77-A81 PolarHBondContact O-N 3.28Å; A81-G83 PolarHBondContact O-N 3.16Å |
| 82 | N | 81.6 | Confident | 84.4 | Confident | 140 Ų | 140 | 125.8 Ų | 125.8 | 75% | 0.749 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 5.2 | -176.8 | -65.4 | -16 | 0 | 0 | 0 | 113.8 | Q80 A84 | Q80-N82 PolarHBondContact O-N 3.27Å; Q80-N82 VanDerWaalsContact O-N 3.16Å; N82-A84 PolarHBondContact O-N 3.01Å |
| 83 | G | 84.5 | Confident | 84.6 | Confident | 33 Ų | 33 | 125.2 Ų | 125.2 | 34% | 0.34 | 65% | 0.652 | S | S | . | * | S | Bend | trans | 64.8 | 8.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q80 A81 Y85 S86 | Q80-G83 PolarHBondContact O-N 3.04Å; A81-G83 PolarHBondContact O-N 3.16Å; G83-Y85 PolarHBondContact O-N 3.2Å; G83-Y85 VanDerWaalsContact O-N 3.11Å; G83-S86 VanDerWaalsContact O-CB 3.25Å; G83-S86 WeakPolarHBondContact O-CB 3.34Å; G83-S86 PolarHBondContact O-N 3.27Å |
| 84 | A | 82.1 | Confident | 84.5 | Confident | 82 Ų | 82 | 123.2 Ų | 123.2 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -20.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N82 | N82-A84 PolarHBondContact O-N 3.01Š|
| 85 | Y | 81.7 | Confident | 84.3 | Confident | 173 Ų | 173 | 119.8 Ų | 119.8 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -6.7 | 176.2 | -64.1 | -85.1 | 0 | 0 | 0 | 113.1 | C79 Q80 G83 R87 | C79-Y85 HydrophobicContact CB-CE2 4.17Å; C79-Y85 WeakPolarHBondContact O-CE2 3.3Å; Q80-Y85 HydrophobicContact CG-CD2 4.09Å; Q80-Y85 HydrophobicContact CG-CE2 4.27Å; G83-Y85 PolarHBondContact O-N 3.2Å; G83-Y85 VanDerWaalsContact O-N 3.11Å; Y85-R87 PolarHBondContact O-N 2.9Å |
| 86 | S | 86.8 | Confident | 83.9 | Confident | 92 Ų | 92 | 125.5 Ų | 125.5 | 64% | 0.643 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -78.3 | 120.2 | 175.6 | -61 | 0 | 0 | 0 | 0 | 109.2 | G83 | G83-S86 VanDerWaalsContact O-CB 3.25Å; G83-S86 WeakPolarHBondContact O-CB 3.34Å; G83-S86 PolarHBondContact O-N 3.27Å |
| 87 | R | 88.6 | Confident | 83.9 | Confident | 237 Ų | 237 | 126.7 Ų | 126.7 | 89% | 0.894 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 131 | 176.5 | -173.3 | 172.8 | -179 | 167 | 0.3 | 109.9 | Y85 Q89 | Y85-R87 PolarHBondContact O-N 2.9Å; R87-Q89 PolarHBondContact O-N 3.45Å |
| 88 | E | 89.4 | Confident | 84.1 | Confident | 183 Ų | 183 | 129.3 Ų | 129.3 | 86% | 0.855 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 131.2 | 172.4 | -67.1 | -175.8 | -179.5 | 0 | 0 | 110.6 | ||
| 89 | Q | 90.3 | Very high | 84.3 | Confident | 171 Ų | 171 | 133.3 Ų | 133.3 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 132.1 | 176.1 | -68.3 | 178.7 | -10.7 | 0 | 0 | 109.4 | R87 K91 | R87-Q89 PolarHBondContact O-N 3.45Å; Q89-K91 PolarHBondContact O-N 3.29Å; Q89-K91 VanDerWaalsContact O-N 3.15Å |
| 90 | F | 89.2 | Confident | 84.6 | Confident | 184 Ų | 184 | 137 Ų | 137 | 81% | 0.807 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 118 | 174.8 | 174.1 | -105 | 0 | 0 | 0 | 109.8 | P92 | F90-P92 HydrophobicContact CE1-CB 3.82Å; F90-P92 HydrophobicContact CE1-CG 4.37Å; F90-P92 HydrophobicContact CZ-CB 4.17Å |
| 91 | K | 85.3 | Confident | 84.8 | Confident | 176 Ų | 176 | 133.6 Ų | 133.6 | 77% | 0.765 | 68% | 0.683 | S | S | * | * | trans | -103.5 | 108.4 | 170.9 | -65.5 | -173.8 | -180 | -179.6 | 0 | 107.5 | Q89 Q93 | Q89-K91 PolarHBondContact O-N 3.29Å; Q89-K91 VanDerWaalsContact O-N 3.15Å; K91-Q93 PolarHBondContact O-N 2.92Å | ||
| 92 | P | 81.8 | Confident | 85 | Confident | 99 Ų | 99 | 136.5 Ų | 136.5 | 64% | 0.643 | 68% | 0.681 | S | S | * | * | trans | -58.6 | 125 | 175.2 | 23.8 | -31.3 | 0 | 0 | 0 | 108.6 | F90 | F90-P92 HydrophobicContact CE1-CB 3.82Å; F90-P92 HydrophobicContact CE1-CG 4.37Å; F90-P92 HydrophobicContact CZ-CB 4.17Å | ||
| 93 | Q | 80.4 | Confident | 85.4 | Confident | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | -70.2 | 150 | 169.2 | -76 | -173.5 | -4.2 | 0 | 0 | 109.1 | K91 T95 | K91-Q93 PolarHBondContact O-N 2.92Å; Q93-T95 PolarHBondContact O-N 3.47Å | ||
| 94 | A | 77.1 | Confident | 85.7 | Confident | 99 Ų | 99 | 140.6 Ų | 140.6 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | trans | -55.2 | 112.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | R96 | A94-R96 PolarHBondContact O-N 3.44Š| ||
| 95 | T | 76.4 | Confident | 86.2 | Confident | 116 Ų | 116 | 140.1 Ų | 140.1 | 71% | 0.712 | 66% | 0.662 | S | S | * | * | trans | -61.7 | 126.1 | 179.1 | -49 | 0 | 0 | 0 | 0 | 108 | Q93 L98 | Q93-T95 PolarHBondContact O-N 3.47Å; T95-L98 HydrophobicContact CG2-CD2 4.44Å | ||
| 96 | R | 78.4 | Confident | 86.8 | Confident | 198 Ų | 198 | 137.1 Ų | 137.1 | 75% | 0.747 | 65% | 0.654 | S | S | * | * | trans | -64.1 | 146.6 | 169.3 | -61.8 | 179.8 | -179.4 | 176.8 | 0.2 | 108.5 | A94 L98 | A94-R96 PolarHBondContact O-N 3.44Å; R96-L98 PolarHBondContact O-N 3Å | ||
| 97 | D | 84.4 | Confident | 87 | Confident | 90 Ų | 90 | 135.1 Ų | 135.1 | 48% | 0.481 | 64% | 0.636 | S | S | . | * | trans | -59.9 | 107.6 | 177.5 | -65.8 | -33.9 | 0 | 0 | 0 | 110.3 | E99 K100 E101 | D97-E99 PolarHBondContact O-N 3.28Å; D97-K100 HydrophobicContact CB-CB 4.05Å; D97-K100 HydrophobicContact CB-CD 3.83Å; D97-K100 HydrophobicContact CB-CG 3.79Å; D97-K100 PolarHBondContact O-N 2.97Å; D97-K100 WeakPolarHBondContact OD2-CD 3.3Å; D97-K100 WeakPolarHBondContact OD2-CE 3.4Å; D97-K100 IonicContact OD2-NZ 2.8Å; D97-K100 PolarHBondContact OD2-NZ 2.92Å; D97-E101 PolarHBondContact O-N 3.47Å; D97-E101 VanDerWaalsContact O-N 3.15Å | ||
| 98 | L | 88.1 | Confident | 87.3 | Confident | 134 Ų | 134 | 126.2 Ų | 126.2 | 70% | 0.702 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.1 | -33.6 | -175.7 | -62.6 | 179.9 | 0 | 0 | 0 | 111.9 | T95 R96 E101 K102 | T95-L98 HydrophobicContact CG2-CD2 4.44Å; R96-L98 PolarHBondContact O-N 3Å; L98-E101 PolarHBondContact O-N 3.11Å; L98-K102 VanDerWaalsContact O-CB 3.31Å; L98-K102 WeakPolarHBondContact O-CB 3.47Å; L98-K102 PolarHBondContact O-N 2.99Å |
| 99 | E | 89.4 | Confident | 87.4 | Confident | 168 Ų | 168 | 125.7 Ų | 125.7 | 79% | 0.785 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.8 | -38.3 | 177.4 | -65.5 | -178 | 172.5 | 0 | 0 | 112.5 | D97 R103 | D97-E99 PolarHBondContact O-N 3.28Å; E99-R103 WeakPolarHBondContact O-CB 3.47Å; E99-R103 PolarHBondContact O-N 3.05Å |
| 100 | K | 88.6 | Confident | 87.5 | Confident | 124 Ų | 124 | 121.6 Ų | 121.6 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.4 | -45.3 | 175.7 | -67 | -176.2 | -176.2 | 155.3 | 0 | 110.4 | D97 K102 R103 R104 | D97-K100 HydrophobicContact CB-CB 4.05Å; D97-K100 HydrophobicContact CB-CD 3.83Å; D97-K100 HydrophobicContact CB-CG 3.79Å; D97-K100 PolarHBondContact O-N 2.97Å; D97-K100 WeakPolarHBondContact OD2-CD 3.3Å; D97-K100 WeakPolarHBondContact OD2-CE 3.4Å; D97-K100 IonicContact OD2-NZ 2.8Å; D97-K100 PolarHBondContact OD2-NZ 2.92Å; K100-K102 PolarHBondContact O-N 3.42Å; K100-R103 PolarHBondContact O-N 2.88Å; K100-R104 VanDerWaalsContact O-CB 3.29Å; K100-R104 WeakPolarHBondContact O-CB 3.46Å; K100-R104 PolarHBondContact O-N 3.46Å |
| 101 | E | 89.1 | Confident | 87.4 | Confident | 56 Ų | 56 | 116.9 Ų | 116.9 | 26% | 0.262 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.8 | -39.9 | 178.6 | -163.2 | 65.9 | -149.5 | 0 | 0 | 111.7 | D97 L98 R103 R104 L105 | D97-E101 PolarHBondContact O-N 3.47Å; D97-E101 VanDerWaalsContact O-N 3.15Å; L98-E101 PolarHBondContact O-N 3.11Å; E101-R103 VanDerWaalsContact C-N 3.35Å; E101-R103 PolarHBondContact O-N 3.3Å; E101-R104 WeakPolarHBondContact O-CB 3.47Å; E101-R104 PolarHBondContact O-N 3.46Å; E101-R104 IonicContact OE1-CZ 3.49Å; E101-R104 IonicContact OE1-NH1 3.51Å; E101-R104 PolarHBondContact OE1-NH1 3.17Å; E101-L105 HydrophobicContact CG-CD1 4.33Å; E101-L105 WeakPolarHBondContact O-CB 3.28Å; E101-L105 WeakPolarHBondContact O-CG 3.47Å; E101-L105 PolarHBondContact O-N 2.85Å |
| 102 | K | 91 | Very high | 87.5 | Confident | 137 Ų | 137 | 111.5 Ų | 111.5 | 60% | 0.596 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59 | -47.2 | 174.2 | -175.5 | -180 | 177.8 | -176.6 | 0 | 111 | L98 K100 L105 Q106 | L98-K102 VanDerWaalsContact O-CB 3.31Å; L98-K102 WeakPolarHBondContact O-CB 3.47Å; L98-K102 PolarHBondContact O-N 2.99Å; K100-K102 PolarHBondContact O-N 3.42Å; K102-L105 PolarHBondContact O-N 3.39Å; K102-Q106 WeakPolarHBondContact O-CB 3.38Å; K102-Q106 VanDerWaalsContact O-CG 3.29Å; K102-Q106 WeakPolarHBondContact O-CG 3.31Å; K102-Q106 PolarHBondContact O-N 3.41Å |
| 103 | R | 90.4 | Very high | 87.5 | Confident | 174 Ų | 174 | 113.5 Ų | 113.5 | 66% | 0.657 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.3 | -41.8 | 178.1 | -172.7 | 178.3 | -177 | -179.9 | 1.5 | 112 | E99 K100 E101 Q106 N107 | E99-R103 WeakPolarHBondContact O-CB 3.47Å; E99-R103 PolarHBondContact O-N 3.05Å; K100-R103 PolarHBondContact O-N 2.88Å; E101-R103 VanDerWaalsContact C-N 3.35Å; E101-R103 PolarHBondContact O-N 3.3Å; R103-Q106 WeakPolarHBondContact O-CB 3.43Å; R103-Q106 PolarHBondContact O-N 2.92Å; R103-N107 VanDerWaalsContact O-CG 3.3Å; R103-N107 PolarHBondContact O-N 2.74Å |
| 104 | R | 91.8 | Very high | 87.4 | Confident | 84 Ų | 84 | 108.6 Ų | 108.6 | 32% | 0.317 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57 | -50.9 | 175.2 | -169.9 | -165.5 | 170.3 | -133.2 | -7.3 | 111.3 | K100 E101 Q106 N107 I108 D114 | K100-R104 VanDerWaalsContact O-CB 3.29Å; K100-R104 WeakPolarHBondContact O-CB 3.46Å; K100-R104 PolarHBondContact O-N 3.46Å; E101-R104 WeakPolarHBondContact O-CB 3.47Å; E101-R104 PolarHBondContact O-N 3.46Å; E101-R104 IonicContact OE1-CZ 3.49Å; E101-R104 IonicContact OE1-NH1 3.51Å; E101-R104 PolarHBondContact OE1-NH1 3.17Å; R104-Q106 PolarHBondContact O-N 2.94Å; R104-N107 WeakPolarHBondContact O-CB 3.46Å; R104-N107 PolarHBondContact O-N 3.44Å; R104-I108 HydrophobicContact CG-CD1 4.23Å; R104-I108 WeakPolarHBondContact O-CG1 3.14Å; R104-I108 PolarHBondContact O-N 3.3Å; R104-D114 WeakPolarHBondContact CG-OD1 3.46Å; R104-D114 IonicContact CZ-OD2 2.66Å; R104-D114 IonicContact NE-OD1 2.67Å; R104-D114 IonicContact NE-OD2 2.79Å; R104-D114 PolarHBondContact NE-OD2 3.03Å; R104-D114 IonicContact NH2-OD2 2.65Å; R104-D114 PolarHBondContact NH2-OD2 2.91Å |
| 105 | L | 91.8 | Very high | 86.8 | Confident | 73 Ų | 73 | 108.9 Ų | 108.9 | 38% | 0.382 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 178 | -69.9 | 173.7 | 0 | 0 | 0 | 112.4 | E101 K102 N107 I108 F109 | E101-L105 HydrophobicContact CG-CD1 4.33Å; E101-L105 WeakPolarHBondContact O-CB 3.28Å; E101-L105 WeakPolarHBondContact O-CG 3.47Å; E101-L105 PolarHBondContact O-N 2.85Å; K102-L105 PolarHBondContact O-N 3.39Å; L105-N107 PolarHBondContact O-N 3.03Å; L105-I108 HydrophobicContact CD2-CD1 4.45Å; L105-I108 PolarHBondContact O-N 2.87Å; L105-F109 WeakPolarHBondContact O-CB 3.28Å; L105-F109 WeakPolarHBondContact O-CG 3.38Å; L105-F109 PolarHBondContact O-N 2.93Å |
| 106 | Q | 93.8 | Very high | 86.2 | Confident | 109 Ų | 109 | 110 Ų | 110 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 172.1 | -76.7 | 174.9 | -16.2 | 0 | 0 | 111.8 | K102 R103 R104 I108 F109 A110 | K102-Q106 WeakPolarHBondContact O-CB 3.38Å; K102-Q106 VanDerWaalsContact O-CG 3.29Å; K102-Q106 WeakPolarHBondContact O-CG 3.31Å; K102-Q106 PolarHBondContact O-N 3.41Å; R103-Q106 WeakPolarHBondContact O-CB 3.43Å; R103-Q106 PolarHBondContact O-N 2.92Å; R104-Q106 PolarHBondContact O-N 2.94Å; Q106-I108 VanDerWaalsContact C-N 3.33Å; Q106-I108 PolarHBondContact O-N 3.06Å; Q106-F109 PolarHBondContact O-N 3.27Å; Q106-A110 VanDerWaalsContact O-CB 3.26Å; Q106-A110 WeakPolarHBondContact O-CB 3.45Å; Q106-A110 PolarHBondContact O-N 2.89Å |
| 107 | N | 92.5 | Very high | 85.1 | Confident | 50 Ų | 50 | 105.2 Ų | 105.2 | 27% | 0.267 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.9 | -69.5 | -17 | 0 | 0 | 0 | 111.5 | R103 R104 L105 T111 | R103-N107 VanDerWaalsContact O-CG 3.3Å; R103-N107 PolarHBondContact O-N 2.74Å; R104-N107 WeakPolarHBondContact O-CB 3.46Å; R104-N107 PolarHBondContact O-N 3.44Å; L105-N107 PolarHBondContact O-N 3.03Å; N107-T111 WeakPolarHBondContact O-CB 3.4Å; N107-T111 PolarHBondContact O-N 3.29Å; N107-T111 PolarHBondContact O-OG1 3.44Å |
| 108 | I | 93.9 | Very high | 83.7 | Confident | 50 Ų | 50 | 112.3 Ų | 112.3 | 26% | 0.256 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 176.9 | -66.8 | 164.9 | 0 | 0 | 0 | 110.8 | R104 L105 Q106 G112 D114 | R104-I108 HydrophobicContact CG-CD1 4.23Å; R104-I108 WeakPolarHBondContact O-CG1 3.14Å; R104-I108 PolarHBondContact O-N 3.3Å; L105-I108 HydrophobicContact CD2-CD1 4.45Å; L105-I108 PolarHBondContact O-N 2.87Å; Q106-I108 VanDerWaalsContact C-N 3.33Å; Q106-I108 PolarHBondContact O-N 3.06Å; I108-G112 WeakPolarHBondContact O-CA 3.42Å; I108-G112 PolarHBondContact O-N 3.1Å; I108-D114 HydrophobicContact CD1-CB 4.11Å; I108-D114 HydrophobicContact CG1-CB 3.99Å |
| 109 | F | 91.3 | Very high | 82.1 | Confident | 172 Ų | 172 | 113.2 Ų | 113.2 | 75% | 0.754 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.3 | -37.3 | -179.9 | -71 | -8.1 | 0 | 0 | 0 | 113 | L105 Q106 | L105-F109 WeakPolarHBondContact O-CB 3.28Å; L105-F109 WeakPolarHBondContact O-CG 3.38Å; L105-F109 PolarHBondContact O-N 2.93Å; Q106-F109 PolarHBondContact O-N 3.27Å |
| 110 | A | 92.1 | Very high | 80.4 | Confident | 86 Ų | 86 | 114.6 Ų | 114.6 | 71% | 0.711 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -75.3 | -40.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q106 | Q106-A110 VanDerWaalsContact O-CB 3.26Å; Q106-A110 WeakPolarHBondContact O-CB 3.45Å; Q106-A110 PolarHBondContact O-N 2.89Å |
| 111 | T | 87.2 | Confident | 78.1 | Confident | 84 Ų | 84 | 114 Ų | 114 | 52% | 0.515 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -120.4 | -5.1 | -168.6 | 70.3 | 0 | 0 | 0 | 0 | 114.6 | N107 K113 | N107-T111 WeakPolarHBondContact O-CB 3.4Å; N107-T111 PolarHBondContact O-N 3.29Å; N107-T111 PolarHBondContact O-OG1 3.44Å; T111-K113 PolarHBondContact O-N 3.02Å; T111-K113 PolarHBondContact OG1-O 2.9Å |
| 112 | G | 88.8 | Confident | 76.1 | Confident | 63 Ų | 63 | 116.9 Ų | 116.9 | 65% | 0.649 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 71.4 | 1.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | I108 | I108-G112 WeakPolarHBondContact O-CA 3.42Å; I108-G112 PolarHBondContact O-N 3.1Å |
| 113 | K | 81.9 | Confident | 74.1 | Confident | 141 Ų | 141 | 118.3 Ų | 118.3 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -129.9 | 139.6 | -175.3 | -65 | -177.9 | -177.6 | 178.6 | 0 | 111.3 | T111 K115 | T111-K113 PolarHBondContact O-N 3.02Å; T111-K113 PolarHBondContact OG1-O 2.9Å; K113-K115 HydrophobicContact CB-CG 4.24Å; K113-K115 PolarHBondContact O-N 3.17Å |
| 114 | D | 77.9 | Confident | 71.9 | Confident | 73 Ų | 73 | 115 Ų | 115 | 39% | 0.39 | 58% | 0.58 | S | S | . | * | trans | -80.5 | 67.3 | 173.3 | -166.5 | 6.1 | 0 | 0 | 0 | 110.2 | R104 I108 E116 | R104-D114 WeakPolarHBondContact CG-OD1 3.46Å; R104-D114 IonicContact CZ-OD2 2.66Å; R104-D114 IonicContact NE-OD1 2.67Å; R104-D114 IonicContact NE-OD2 2.79Å; R104-D114 PolarHBondContact NE-OD2 3.03Å; R104-D114 IonicContact NH2-OD2 2.65Å; R104-D114 PolarHBondContact NH2-OD2 2.91Å; I108-D114 HydrophobicContact CD1-CB 4.11Å; I108-D114 HydrophobicContact CG1-CB 3.99Å; D114-E116 PolarHBondContact O-N 2.66Å | ||
| 115 | K | 64 | Low | 69.8 | Low | 104 Ų | 104 | 121.6 Ų | 121.6 | 45% | 0.452 | 61% | 0.605 | S | S | . | * | trans | -77.1 | 78.1 | 175.2 | -76.4 | -176.9 | 169.3 | -135.9 | 0 | 109.1 | K113 E117 | K113-K115 HydrophobicContact CB-CG 4.24Å; K113-K115 PolarHBondContact O-N 3.17Å; K115-E117 HydrophobicContact CB-CG 4.19Å; K115-E117 WeakPolarHBondContact CD-OE1 3.33Å; K115-E117 VanDerWaalsContact CE-OE1 3.31Å; K115-E117 WeakPolarHBondContact CE-OE1 3.29Å; K115-E117 HydrophobicContact CG-CG 4.39Å; K115-E117 IonicContact NZ-OE1 3.31Å; K115-E117 PolarHBondContact NZ-OE1 3.49Å; K115-E117 PolarHBondContact O-N 2.65Å | ||
| 116 | E | 63.8 | Low | 68 | Low | 141 Ų | 141 | 126.2 Ų | 126.2 | 66% | 0.659 | 63% | 0.625 | S | S | * | * | trans | -70.6 | 60 | 148.6 | -79.8 | -139.6 | 155.9 | 0 | 0 | 109 | D114 R118 | D114-E116 PolarHBondContact O-N 2.66Å; E116-R118 PolarHBondContact O-N 3.31Å | ||
| 117 | E | 56.2 | Low | 66.1 | Low | 97 Ų | 97 | 129.7 Ų | 129.7 | 45% | 0.453 | 64% | 0.641 | S | S | . | * | trans | -70.9 | 105.6 | 161.5 | -71.6 | 176.9 | -166.4 | 0 | 0 | 105 | K115 K119 | K115-E117 HydrophobicContact CB-CG 4.19Å; K115-E117 WeakPolarHBondContact CD-OE1 3.33Å; K115-E117 VanDerWaalsContact CE-OE1 3.31Å; K115-E117 WeakPolarHBondContact CE-OE1 3.29Å; K115-E117 HydrophobicContact CG-CG 4.39Å; K115-E117 IonicContact NZ-OE1 3.31Å; K115-E117 PolarHBondContact NZ-OE1 3.49Å; K115-E117 PolarHBondContact O-N 2.65Å; E117-K119 HydrophobicContact CB-CG 4.02Å; E117-K119 PolarHBondContact O-N 2.91Å; E117-K119 WeakPolarHBondContact OE2-CE 3.44Å | ||
| 118 | R | 54.4 | Low | 64.2 | Low | 238 Ų | 238 | 134.2 Ų | 134.2 | 90% | 0.898 | 67% | 0.665 | S | S | * | * | trans | -56.9 | 73.6 | 149 | -68.8 | -179.2 | 179.4 | -179.5 | -0.7 | 106.9 | E116 K120 | E116-R118 PolarHBondContact O-N 3.31Å; R118-K120 PolarHBondContact O-N 3.07Å | ||
| 119 | K | 55.2 | Low | 62.6 | Low | 154 Ų | 154 | 137.2 Ų | 137.2 | 67% | 0.67 | 69% | 0.688 | S | S | * | * | trans | -63 | 98.8 | 158.8 | -74.3 | -172.4 | 179 | -178.7 | 0 | 103.4 | E117 V121 | E117-K119 HydrophobicContact CB-CG 4.02Å; E117-K119 PolarHBondContact O-N 2.91Å; E117-K119 WeakPolarHBondContact OE2-CE 3.44Å; K119-V121 PolarHBondContact O-N 3.02Å | ||
| 120 | K | 52 | Low | 61.2 | Low | 197 Ų | 197 | 133 Ų | 133 | 86% | 0.857 | 68% | 0.684 | S | S | * | * | trans | -48.1 | 103.1 | 151 | -71.9 | -176.4 | 178.9 | -177.3 | 0 | 103.6 | R118 P122 | R118-K120 PolarHBondContact O-N 3.07Å; K120-P122 WeakPolarHBondContact O-CD 3.46Å | ||
| 121 | V | 41.8 | Very low | 59.9 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | trans | -57.5 | 113.7 | 177.1 | -173.6 | 0 | 0 | 0 | 0 | 103.5 | K119 H123 | K119-V121 PolarHBondContact O-N 3.02Å; V121-H123 PolarHBondContact O-N 3.43Å; V121-H123 VanDerWaalsContact O-N 3.11Å | ||
| 122 | P | 45.5 | Very low | 58.9 | Low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | trans | -58.2 | 122.9 | 161.9 | -8.6 | 24.9 | 0 | 0 | 0 | 103.8 | K120 V124 | K120-P122 WeakPolarHBondContact O-CD 3.46Å; P122-V124 PolarHBondContact O-N 2.95Å | ||
| 123 | H | 49.4 | Very low | 57.9 | Low | 168 Ų | 168 | 140 Ų | 140 | 78% | 0.778 | 69% | 0.692 | S | S | * | * | trans | -4.1 | 114.6 | 166.6 | -174.9 | 73.1 | 0 | 0 | 0 | 112.1 | V121 R125 | V121-H123 PolarHBondContact O-N 3.43Å; V121-H123 VanDerWaalsContact O-N 3.11Å; H123-R125 VanDerWaalsContact C-N 3.27Å; H123-R125 PolarHBondContact O-N 3.3Å | ||
| 124 | V | 44.5 | Very low | 58.1 | Low | 104 Ų | 104 | 136.1 Ų | 136.1 | 63% | 0.63 | 68% | 0.678 | S | S | * | * | trans | -38.3 | 101.3 | 166.1 | 171.6 | 0 | 0 | 0 | 0 | 106.4 | P122 Q126 | P122-V124 PolarHBondContact O-N 2.95Å; V124-Q126 PolarHBondContact O-N 2.86Å | ||
| 125 | R | 48.7 | Very low | 58.9 | Low | 223 Ų | 223 | 137.1 Ų | 137.1 | 84% | 0.842 | 68% | 0.676 | S | S | * | * | trans | -60.6 | 110.9 | 154.1 | -70.8 | -172.9 | 177.5 | -173.1 | -1.8 | 100.7 | H123 E127 | H123-R125 VanDerWaalsContact C-N 3.27Å; H123-R125 PolarHBondContact O-N 3.3Å; R125-E127 PolarHBondContact O-N 3.47Å | ||
| 126 | Q | 53.7 | Low | 60.3 | Low | 170 Ų | 170 | 134.3 Ų | 134.3 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | trans | -45.7 | 110 | 155.8 | -68.4 | 173.9 | -6.4 | 0 | 0 | 103.1 | V124 D128 | V124-Q126 PolarHBondContact O-N 2.86Å; Q126-D128 PolarHBondContact O-N 2.88Å; Q126-D128 VanDerWaalsContact O-N 3.1Å | ||
| 127 | E | 53.2 | Low | 61.8 | Low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 65% | 0.652 | S | S | * | * | trans | -50.8 | 124 | 162.7 | -73.1 | -179.3 | 159.4 | 0 | 0 | 103.5 | R125 P129 | R125-E127 PolarHBondContact O-N 3.47Å; E127-P129 VanDerWaalsContact O-N 3.13Å | ||
| 128 | D | 52.8 | Low | 63.7 | Low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 65% | 0.647 | S | S | * | * | trans | -42.3 | 128.3 | 172.9 | -64 | -54.8 | 0 | 0 | 0 | 106.3 | Q126 A130 | Q126-D128 PolarHBondContact O-N 2.88Å; Q126-D128 VanDerWaalsContact O-N 3.1Å; D128-A130 PolarHBondContact O-N 3.26Å | ||
| 129 | P | 60.8 | Low | 65.7 | Low | 113 Ų | 113 | 118.8 Ų | 118.8 | 73% | 0.734 | 60% | 0.604 | S | S | * | * | trans | -48 | 118.9 | -177.6 | 20.9 | -31.8 | 0 | 0 | 0 | 105.9 | E127 P131 | E127-P129 VanDerWaalsContact O-N 3.13Å; P129-P131 VanDerWaalsContact O-N 3.1Å | ||
| 130 | A | 60.7 | Low | 67.7 | Low | 82 Ų | 82 | 114.7 Ų | 114.7 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | trans | -42.8 | 127.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | D128 E132 | D128-A130 PolarHBondContact O-N 3.26Å; A130-E132 PolarHBondContact O-N 3.17Å | ||
| 131 | P | 66.1 | Low | 69.9 | Low | 111 Ų | 111 | 110.3 Ų | 110.3 | 72% | 0.721 | 57% | 0.573 | S | S | * | * | trans | -46 | 117.5 | -168.2 | 14.8 | -28.9 | 0 | 0 | 0 | 107.5 | P129 L133 | P129-P131 VanDerWaalsContact O-N 3.1Å; P131-L133 VanDerWaalsContact C-N 3.35Å; P131-L133 PolarHBondContact O-N 2.96Å | ||
| 132 | E | 65.6 | Low | 72.5 | Confident | 189 Ų | 189 | 107.8 Ų | 107.8 | 88% | 0.883 | 55% | 0.554 | S | S | * | * | trans | -50 | 108.4 | -177.4 | -79.4 | -175.8 | 165.8 | 0 | 0 | 105.6 | A130 D134 | A130-E132 PolarHBondContact O-N 3.17Å; E132-D134 PolarHBondContact O-N 3.48Å; E132-D134 VanDerWaalsContact O-N 3.09Å | ||
| 133 | L | 67.8 | Low | 75.1 | Confident | 82 Ų | 82 | 103 Ų | 103 | 43% | 0.429 | 52% | 0.521 | S | S | . | . | trans | -61 | 124.7 | -177.8 | -72.2 | 172.9 | 0 | 0 | 0 | 104.9 | P131 R135 E138 | P131-L133 VanDerWaalsContact C-N 3.35Å; P131-L133 PolarHBondContact O-N 2.96Å; L133-R135 PolarHBondContact O-N 3.24Å; L133-E138 HydrophobicContact CB-CG 3.93Å | ||
| 134 | D | 86.9 | Confident | 77.4 | Confident | 59 Ų | 59 | 99 Ų | 99 | 32% | 0.316 | 50% | 0.503 | S | S | . | . | trans | -53.7 | 133.5 | 178.1 | -178.4 | 15.9 | 0 | 0 | 0 | 107.8 | E132 F136 D137 E138 R184 | E132-D134 PolarHBondContact O-N 3.48Å; E132-D134 VanDerWaalsContact O-N 3.09Å; D134-F136 CarbonylContact O-C 3.56Å; D134-F136 PolarHBondContact O-N 3.02Å; D134-D137 WeakPolarHBondContact O-CA 3.46Å; D134-D137 WeakPolarHBondContact O-CB 3.35Å; D134-D137 PolarHBondContact O-N 3.47Å; D134-E138 PolarHBondContact O-N 3.11Å; D134-E138 VanDerWaalsContact O-N 3.13Å; D134-R184 IonicContact OD1-CZ 3.02Å; D134-R184 IonicContact OD1-NH2 3.9Å; D134-R184 PolarHBondContact OD1-NH2 3.06Å; D134-R184 IonicContact OD2-CZ 3.92Å; D134-R184 IonicContact OD2-NH1 3.34Å; D134-R184 PolarHBondContact OD2-NH1 2.67Å; D134-R184 IonicContact OD2-NH2 2.66Å; D134-R184 PolarHBondContact OD2-NH2 3.18Å | ||
| 135 | R | 92.9 | Very high | 80 | Confident | 94 Ų | 94 | 98.8 Ų | 98.8 | 36% | 0.355 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -50.2 | -31.9 | -177.6 | 179.8 | 60.3 | 178.8 | 163.9 | 6.3 | 111.6 | L133 E138 L139 E142 E176 I180 | L133-R135 PolarHBondContact O-N 3.24Å; R135-E138 WeakPolarHBondContact CD-OE2 3.23Å; R135-E138 IonicContact CZ-OE2 3.15Å; R135-E138 IonicContact NH1-OE2 3.3Å; R135-E138 PolarHBondContact NH1-OE2 3.45Å; R135-E138 PolarHBondContact O-N 3.32Å; R135-L139 WeakPolarHBondContact O-CG 3.49Å; R135-L139 PolarHBondContact O-N 3.27Å; R135-L139 VanDerWaalsContact O-N 3.11Å; R135-E142 IonicContact NH1-OE1 3.2Å; R135-E176 IonicContact CZ-OE1 3.79Å; R135-E176 IonicContact NE-OE1 2.66Å; R135-E176 PolarHBondContact NE-OE1 3.38Å; R135-E176 IonicContact NH2-OE1 2.7Å; R135-E176 PolarHBondContact NH2-OE1 2.71Å; R135-E176 IonicContact NH2-OE2 2.71Å; R135-E176 PolarHBondContact NH2-OE2 3.35Å; R135-I180 HydrophobicContact CB-CD1 4.21Å; R135-I180 HydrophobicContact CG-CD1 3.75Å |
| 136 | F | 95.4 | Very high | 82.4 | Confident | 45 Ų | 45 | 91.7 Ų | 91.7 | 20% | 0.197 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -58.6 | -49.1 | 172.9 | -167.3 | -84.9 | 0 | 0 | 0 | 112.7 | D134 E138 L139 V140 M177 I180 D181 | D134-F136 CarbonylContact O-C 3.56Å; D134-F136 PolarHBondContact O-N 3.02Å; F136-E138 PolarHBondContact O-N 3.19Å; F136-L139 PolarHBondContact O-N 2.98Å; F136-V140 HydrophobicContact CD1-CG2 4.28Å; F136-V140 HydrophobicContact CE1-CG2 4.12Å; F136-V140 WeakPolarHBondContact O-CG2 3.41Å; F136-V140 PolarHBondContact O-N 3.31Å; F136-V140 VanDerWaalsContact O-N 3.13Å; F136-M177 HydrophobicContact CD2-CG 3.7Å; F136-M177 HydrophobicContact CE1-CG 4.46Å; F136-M177 HydrophobicContact CE1-SD 4.37Å; F136-M177 HydrophobicContact CE2-CB 4.47Å; F136-M177 HydrophobicContact CE2-CG 3.16Å; F136-M177 HydrophobicContact CE2-SD 3.97Å; F136-M177 HydrophobicContact CZ-CG 3.6Å; F136-M177 HydrophobicContact CZ-SD 3.74Å; F136-I180 HydrophobicContact CD2-CG2 4.21Å; F136-D181 VanDerWaalsContact CE2-OD1 3.26Å; F136-D181 WeakPolarHBondContact CE2-OD1 3.4Å |
| 137 | D | 94.7 | Very high | 84.5 | Confident | 78 Ų | 78 | 88.7 Ų | 88.7 | 42% | 0.417 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.1 | -35.7 | 179.3 | -67.8 | -27.8 | 0 | 0 | 0 | 112 | D134 V140 K141 | D134-D137 WeakPolarHBondContact O-CA 3.46Å; D134-D137 WeakPolarHBondContact O-CB 3.35Å; D134-D137 PolarHBondContact O-N 3.47Å; D137-V140 PolarHBondContact O-N 3.47Å; D137-K141 WeakPolarHBondContact O-CG 3.46Å; D137-K141 PolarHBondContact O-N 3.1Å; D137-K141 VanDerWaalsContact O-N 3.12Å |
| 138 | E | 95.2 | Very high | 86.6 | Confident | 71 Ų | 71 | 85.2 Ų | 85.2 | 33% | 0.332 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 172.1 | -63.3 | -175.8 | 163.4 | 0 | 0 | 111.3 | L133 D134 R135 F136 V140 K141 E142 | L133-E138 HydrophobicContact CB-CG 3.93Å; D134-E138 PolarHBondContact O-N 3.11Å; D134-E138 VanDerWaalsContact O-N 3.13Å; R135-E138 WeakPolarHBondContact CD-OE2 3.23Å; R135-E138 IonicContact CZ-OE2 3.15Å; R135-E138 IonicContact NH1-OE2 3.3Å; R135-E138 PolarHBondContact NH1-OE2 3.45Å; R135-E138 PolarHBondContact O-N 3.32Å; F136-E138 PolarHBondContact O-N 3.19Å; E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 PolarHBondContact O-N 2.99Å; E138-K141 WeakPolarHBondContact O-CB 3.35Å; E138-K141 PolarHBondContact O-N 2.89Å; E138-K141 VanDerWaalsContact O-N 3.13Å; E138-E142 WeakPolarHBondContact O-CG 3.45Å; E138-E142 PolarHBondContact O-N 2.79Å |
| 139 | L | 96.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.8 | -36 | 178.9 | -70.7 | 171.3 | 0 | 0 | 0 | 112.4 | R135 F136 E142 I143 K173 E176 M177 I180 | R135-L139 WeakPolarHBondContact O-CG 3.49Å; R135-L139 PolarHBondContact O-N 3.27Å; R135-L139 VanDerWaalsContact O-N 3.11Å; F136-L139 PolarHBondContact O-N 2.98Å; L139-E142 PolarHBondContact O-N 2.88Å; L139-I143 WeakPolarHBondContact O-CB 3.42Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 3.43Å; L139-I143 PolarHBondContact O-N 3.32Å; L139-K173 HydrophobicContact CD2-CB 4.15Å; L139-K173 HydrophobicContact CD2-CG 4.17Å; L139-E176 HydrophobicContact CD1-CB 3.88Å; L139-E176 HydrophobicContact CD1-CG 3.75Å; L139-E176 HydrophobicContact CD2-CB 4.43Å; L139-E176 HydrophobicContact CD2-CG 4.45Å; L139-M177 HydrophobicContact CB-CE 4.06Å; L139-M177 HydrophobicContact CD1-CB 4.27Å; L139-I180 HydrophobicContact CD1-CD1 3.77Å |
| 140 | V | 97.4 | Very high | 90.6 | Very high | 69 Ų | 69 | 77.6 Ų | 77.6 | 42% | 0.418 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 174 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | F136 D137 E138 I143 Q144 M177 | F136-V140 HydrophobicContact CD1-CG2 4.28Å; F136-V140 HydrophobicContact CE1-CG2 4.12Å; F136-V140 WeakPolarHBondContact O-CG2 3.41Å; F136-V140 PolarHBondContact O-N 3.31Å; F136-V140 VanDerWaalsContact O-N 3.13Å; D137-V140 PolarHBondContact O-N 3.47Å; E138-V140 VanDerWaalsContact C-N 3.3Å; E138-V140 PolarHBondContact O-N 2.99Å; V140-I143 PolarHBondContact O-N 2.86Å; V140-Q144 PolarHBondContact O-N 3.12Å; V140-Q144 VanDerWaalsContact O-N 3.07Å; V140-M177 HydrophobicContact CG2-CE 3.74Å |
| 141 | K | 97.1 | Very high | 92.4 | Very high | 105 Ų | 105 | 76.4 Ų | 76.4 | 46% | 0.457 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 176.9 | -68.5 | 175.1 | -175.8 | -179.9 | 0 | 111.3 | D137 E138 I143 Q144 D145 | D137-K141 WeakPolarHBondContact O-CG 3.46Å; D137-K141 PolarHBondContact O-N 3.1Å; D137-K141 VanDerWaalsContact O-N 3.12Å; E138-K141 WeakPolarHBondContact O-CB 3.35Å; E138-K141 PolarHBondContact O-N 2.89Å; E138-K141 VanDerWaalsContact O-N 3.13Å; K141-I143 VanDerWaalsContact C-N 3.3Å; K141-I143 PolarHBondContact O-N 3.29Å; K141-Q144 WeakPolarHBondContact O-CA 3.37Å; K141-Q144 WeakPolarHBondContact O-CB 3.46Å; K141-Q144 PolarHBondContact O-N 3.37Å; K141-D145 PolarHBondContact O-N 3.13Å |
| 142 | E | 97.9 | Very high | 94 | Very high | 59 Ų | 59 | 73.4 Ų | 73.4 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 179.4 | -71 | -178.6 | -176.2 | 0 | 0 | 112.5 | R135 E138 L139 Q144 R146 K173 | R135-E142 IonicContact NH1-OE1 3.2Å; E138-E142 WeakPolarHBondContact O-CG 3.45Å; E138-E142 PolarHBondContact O-N 2.79Å; L139-E142 PolarHBondContact O-N 2.88Å; E142-Q144 VanDerWaalsContact C-N 3.34Å; E142-R146 WeakPolarHBondContact O-CB 3.37Å; E142-R146 VanDerWaalsContact O-CG 3.23Å; E142-R146 WeakPolarHBondContact O-CG 3.3Å; E142-R146 PolarHBondContact O-N 3.26Å; E142-R146 VanDerWaalsContact O-N 3.1Å; E142-K173 HydrophobicContact CB-CD 3.71Å; E142-K173 WeakPolarHBondContact OE2-CE 3.43Å; E142-K173 IonicContact OE2-NZ 2.75Å; E142-K173 PolarHBondContact OE2-NZ 3.46Å |
| 143 | I | 98.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 174.3 | -73.4 | 167.9 | 0 | 0 | 0 | 110.6 | L139 V140 K141 R146 K147 I170 K173 L174 M177 | L139-I143 WeakPolarHBondContact O-CB 3.42Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 3.43Å; L139-I143 PolarHBondContact O-N 3.32Å; V140-I143 PolarHBondContact O-N 2.86Å; K141-I143 VanDerWaalsContact C-N 3.3Å; K141-I143 PolarHBondContact O-N 3.29Å; I143-R146 PolarHBondContact O-N 3.5Å; I143-K147 HydrophobicContact CG2-CD 4.32Å; I143-K147 WeakPolarHBondContact O-CG 3.06Å; I143-K147 PolarHBondContact O-N 3.13Å; I143-I170 HydrophobicContact CG2-CG2 4.27Å; I143-K173 HydrophobicContact CD1-CB 3.83Å; I143-K173 HydrophobicContact CG1-CB 3.59Å; I143-K173 HydrophobicContact CG1-CD 3.91Å; I143-K173 HydrophobicContact CG1-CG 4.4Å; I143-L174 HydrophobicContact CD1-CD2 3.83Å; I143-L174 HydrophobicContact CD1-CG 4.03Å; I143-M177 HydrophobicContact CD1-CE 3.69Å |
| 144 | Q | 98.6 | Very high | 96.9 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 179.4 | -174.1 | 56.6 | 30.4 | 0 | 0 | 111.2 | V140 K141 E142 R146 K147 E148 | V140-Q144 PolarHBondContact O-N 3.12Å; V140-Q144 VanDerWaalsContact O-N 3.07Å; K141-Q144 WeakPolarHBondContact O-CA 3.37Å; K141-Q144 WeakPolarHBondContact O-CB 3.46Å; K141-Q144 PolarHBondContact O-N 3.37Å; E142-Q144 VanDerWaalsContact C-N 3.34Å; Q144-R146 VanDerWaalsContact C-N 3.25Å; Q144-R146 PolarHBondContact O-N 3.35Å; Q144-K147 WeakPolarHBondContact O-CB 3.5Å; Q144-K147 PolarHBondContact O-N 3.11Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.49Å; Q144-E148 PolarHBondContact NE2-OE1 3.33Å; Q144-E148 WeakPolarHBondContact O-CG 3.4Å; Q144-E148 PolarHBondContact O-N 3.32Å |
| 145 | D | 98.6 | Very high | 97.5 | Very high | 98 Ų | 98 | 67.1 Ų | 67.1 | 52% | 0.524 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.5 | -41.2 | 175.9 | -67.2 | -13.9 | 0 | 0 | 0 | 111.5 | K141 E148 F149 | K141-D145 PolarHBondContact O-N 3.13Å; D145-E148 PolarHBondContact O-N 2.93Å; D145-F149 WeakPolarHBondContact O-CB 3.43Å; D145-F149 PolarHBondContact O-N 2.95Å |
| 146 | R | 98.6 | Very high | 97.7 | Very high | 75 Ų | 75 | 68.5 Ų | 68.5 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 177 | -73.1 | -57.3 | -165.3 | 146.7 | 14.1 | 112.9 | E142 I143 Q144 L150 I166 E169 I170 | E142-R146 WeakPolarHBondContact O-CB 3.37Å; E142-R146 VanDerWaalsContact O-CG 3.23Å; E142-R146 WeakPolarHBondContact O-CG 3.3Å; E142-R146 PolarHBondContact O-N 3.26Å; E142-R146 VanDerWaalsContact O-N 3.1Å; I143-R146 PolarHBondContact O-N 3.5Å; Q144-R146 VanDerWaalsContact C-N 3.25Å; Q144-R146 PolarHBondContact O-N 3.35Å; R146-L150 WeakPolarHBondContact O-CB 3.25Å; R146-L150 PolarHBondContact O-N 3.01Å; R146-I166 HydrophobicContact CB-CG2 4Å; R146-I166 WeakPolarHBondContact O-CG2 3.46Å; R146-E169 IonicContact CZ-OE1 4Å; R146-E169 VanDerWaalsContact CZ-OE1 3.3Å; R146-E169 IonicContact CZ-OE2 3.85Å; R146-E169 IonicContact NE-OE2 2.77Å; R146-E169 PolarHBondContact NE-OE2 3.49Å; R146-E169 VanDerWaalsContact NH1-CD 3.33Å; R146-E169 IonicContact NH1-OE1 2.78Å; R146-E169 PolarHBondContact NH1-OE1 3.28Å; R146-E169 IonicContact NH1-OE2 3.03Å; R146-E169 PolarHBondContact NH1-OE2 2.82Å; R146-E169 IonicContact NH2-OE1 3.21Å; R146-E169 PolarHBondContact NH2-OE1 3.01Å; R146-E169 IonicContact NH2-OE2 2.82Å; R146-E169 PolarHBondContact NH2-OE2 3.41Å; R146-I170 HydrophobicContact CB-CD1 4.29Å; R146-I170 HydrophobicContact CB-CG1 3.94Å |
| 147 | K | 98.5 | Very high | 97.8 | Very high | 107 Ų | 107 | 69.2 Ų | 69.2 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 174.1 | -73.9 | 174.1 | 178.1 | 177.5 | 0 | 111.3 | I143 Q144 L150 A151 I170 | I143-K147 HydrophobicContact CG2-CD 4.32Å; I143-K147 WeakPolarHBondContact O-CG 3.06Å; I143-K147 PolarHBondContact O-N 3.13Å; Q144-K147 WeakPolarHBondContact O-CB 3.5Å; Q144-K147 PolarHBondContact O-N 3.11Å; K147-L150 PolarHBondContact O-N 3.5Å; K147-A151 WeakPolarHBondContact O-CB 3.42Å; K147-A151 PolarHBondContact O-N 3.27Å; K147-I170 HydrophobicContact CG-CD1 4.01Å |
| 148 | E | 98.6 | Very high | 97.9 | Very high | 109 Ų | 109 | 69.4 Ų | 69.4 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 178.8 | -71.4 | 176.7 | -166.6 | 0 | 0 | 111.5 | Q144 D145 L150 A151 A152 | Q144-E148 WeakPolarHBondContact CG-OE1 3.49Å; Q144-E148 PolarHBondContact NE2-OE1 3.33Å; Q144-E148 WeakPolarHBondContact O-CG 3.4Å; Q144-E148 PolarHBondContact O-N 3.32Å; D145-E148 PolarHBondContact O-N 2.93Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 3.02Å; E148-A151 PolarHBondContact O-N 3.48Å; E148-A152 WeakPolarHBondContact O-CB 3.26Å; E148-A152 PolarHBondContact O-N 3.13Å |
| 149 | F | 98.5 | Very high | 98 | Very high | 78 Ų | 78 | 66.3 Ų | 66.3 | 34% | 0.342 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 172.5 | 174.7 | -94.6 | 0 | 0 | 0 | 111.6 | D145 A151 A152 M153 Y162 I166 | D145-F149 WeakPolarHBondContact O-CB 3.43Å; D145-F149 PolarHBondContact O-N 2.95Å; F149-A151 VanDerWaalsContact C-N 3.35Å; F149-A151 PolarHBondContact O-N 2.98Å; F149-A152 PolarHBondContact O-N 2.66Å; F149-M153 HydrophobicContact CD1-CG 4.19Å; F149-M153 HydrophobicContact CD2-CG 4.44Å; F149-M153 HydrophobicContact CE1-CG 3.65Å; F149-M153 HydrophobicContact CE2-CE 4.08Å; F149-M153 HydrophobicContact CE2-CG 3.94Å; F149-M153 HydrophobicContact CE2-SD 4.19Å; F149-M153 HydrophobicContact CZ-CE 4.49Å; F149-M153 HydrophobicContact CZ-CG 3.51Å; F149-M153 HydrophobicContact CZ-SD 4.01Å; F149-M153 WeakPolarHBondContact O-CG 3.47Å; F149-M153 PolarHBondContact O-N 3.35Å; F149-Y162 HydrophobicContact CE1-CD1 4.14Å; F149-Y162 HydrophobicContact CE1-CG 4.21Å; F149-Y162 HydrophobicContact CZ-CD1 4.32Å; F149-Y162 HydrophobicContact CZ-CE1 4.45Å; F149-I166 HydrophobicContact CD1-CD1 3.63Å; F149-I166 HydrophobicContact CD1-CG1 4.01Å; F149-I166 HydrophobicContact CE1-CD1 3.74Å; F149-I166 HydrophobicContact CE1-CG1 4.14Å |
| 150 | L | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 77.8 Ų | 77.8 | 10% | 0.099 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 179 | -176.6 | 60.7 | 0 | 0 | 0 | 111.5 | R146 K147 E148 A152 M153 E154 R163 I166 | R146-L150 WeakPolarHBondContact O-CB 3.25Å; R146-L150 PolarHBondContact O-N 3.01Å; K147-L150 PolarHBondContact O-N 3.5Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 3.02Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.34Å; L150-M153 PolarHBondContact O-N 3.48Å; L150-E154 HydrophobicContact CD1-CG 4.4Å; L150-E154 HydrophobicContact CG-CG 4.46Å; L150-E154 WeakPolarHBondContact O-CB 3.46Å; L150-E154 WeakPolarHBondContact O-CG 3.47Å; L150-E154 PolarHBondContact O-N 2.91Å; L150-R163 HydrophobicContact CD1-CG 3.95Å; L150-R163 HydrophobicContact CD2-CG 4.41Å; L150-I166 HydrophobicContact CB-CG2 4.05Å; L150-I166 HydrophobicContact CD1-CB 4.42Å; L150-I166 HydrophobicContact CD1-CG1 4.33Å; L150-I166 HydrophobicContact CD2-CB 4.47Å; L150-I166 HydrophobicContact CD2-CG2 4.32Å |
| 151 | A | 98.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 80 Ų | 80 | 47% | 0.471 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K147 E148 F149 E154 A155 | K147-A151 WeakPolarHBondContact O-CB 3.42Å; K147-A151 PolarHBondContact O-N 3.27Å; E148-A151 PolarHBondContact O-N 3.48Å; F149-A151 VanDerWaalsContact C-N 3.35Å; F149-A151 PolarHBondContact O-N 2.98Å; A151-E154 PolarHBondContact O-N 3.3Å; A151-A155 WeakPolarHBondContact O-CB 3.46Å; A151-A155 PolarHBondContact O-N 3.18Å |
| 152 | A | 98.4 | Very high | 98 | Very high | 48 Ų | 48 | 78.9 Ų | 78.9 | 40% | 0.397 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E148 F149 L150 E154 A155 L156 | E148-A152 WeakPolarHBondContact O-CB 3.26Å; E148-A152 PolarHBondContact O-N 3.13Å; F149-A152 PolarHBondContact O-N 2.66Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.34Å; A152-E154 VanDerWaalsContact C-N 3.35Å; A152-A155 PolarHBondContact O-N 3.16Å; A152-L156 WeakPolarHBondContact O-CG 3.45Å; A152-L156 PolarHBondContact O-N 2.95Å; A152-L156 VanDerWaalsContact O-N 3.16Å |
| 153 | M | 98.3 | Very high | 97.9 | Very high | 34 Ų | 34 | 82.5 Ų | 82.5 | 17% | 0.167 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68 | -34.2 | 177.2 | -67.8 | -55.7 | 104 | 0 | 0 | 112.5 | F149 L150 L156 G157 Q158 G159 Y162 | F149-M153 HydrophobicContact CD1-CG 4.19Å; F149-M153 HydrophobicContact CD2-CG 4.44Å; F149-M153 HydrophobicContact CE1-CG 3.65Å; F149-M153 HydrophobicContact CE2-CE 4.08Å; F149-M153 HydrophobicContact CE2-CG 3.94Å; F149-M153 HydrophobicContact CE2-SD 4.19Å; F149-M153 HydrophobicContact CZ-CE 4.49Å; F149-M153 HydrophobicContact CZ-CG 3.51Å; F149-M153 HydrophobicContact CZ-SD 4.01Å; F149-M153 WeakPolarHBondContact O-CG 3.47Å; F149-M153 PolarHBondContact O-N 3.35Å; L150-M153 PolarHBondContact O-N 3.48Å; M153-L156 HydrophobicContact CE-CD1 3.82Å; M153-L156 PolarHBondContact O-N 3.39Å; M153-G157 PolarHBondContact O-N 2.94Å; M153-Q158 WeakPolarHBondContact O-CA 3.29Å; M153-Q158 PolarHBondContact O-N 3.21Å; M153-G159 PolarHBondContact O-N 2.99Å; M153-Y162 HydrophobicContact CB-CD2 3.89Å; M153-Y162 HydrophobicContact CG-CD2 3.76Å; M153-Y162 HydrophobicContact CG-CE2 4.11Å; M153-Y162 HydrophobicContact CG-CG 4.27Å; M153-Y162 HydrophobicContact SD-CD2 4.2Å; M153-Y162 HydrophobicContact SD-CE2 3.92Å |
| 154 | E | 97.4 | Very high | 97.9 | Very high | 74 Ų | 74 | 85.9 Ų | 85.9 | 35% | 0.346 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 173.6 | -76.6 | -175.8 | 170.3 | 0 | 0 | 112.1 | L150 A151 A152 L156 G157 R163 | L150-E154 HydrophobicContact CD1-CG 4.4Å; L150-E154 HydrophobicContact CG-CG 4.46Å; L150-E154 WeakPolarHBondContact O-CB 3.46Å; L150-E154 WeakPolarHBondContact O-CG 3.47Å; L150-E154 PolarHBondContact O-N 2.91Å; A151-E154 PolarHBondContact O-N 3.3Å; A152-E154 VanDerWaalsContact C-N 3.35Å; E154-L156 PolarHBondContact O-N 3Å; E154-G157 WeakPolarHBondContact O-CA 3.33Å; E154-G157 PolarHBondContact O-N 3.18Å; E154-R163 IonicContact OE1-CZ 3.19Å; E154-R163 IonicContact OE1-NE 2.68Å; E154-R163 PolarHBondContact OE1-NE 2.89Å; E154-R163 IonicContact OE1-NH2 2.82Å; E154-R163 PolarHBondContact OE1-NH2 3.48Å; E154-R163 IonicContact OE2-NH2 3.75Å |
| 155 | A | 98 | Very high | 97.9 | Very high | 91 Ų | 91 | 86.1 Ų | 86.1 | 75% | 0.752 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.8 | -31.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A151 A152 G157 | A151-A155 WeakPolarHBondContact O-CB 3.46Å; A151-A155 PolarHBondContact O-N 3.18Å; A152-A155 PolarHBondContact O-N 3.16Å; A155-G157 VanDerWaalsContact C-N 3.28Å |
| 156 | L | 97.9 | Very high | 97.9 | Very high | 122 Ų | 122 | 81.6 Ų | 81.6 | 64% | 0.639 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 0.7 | 173 | -65.2 | 173 | 0 | 0 | 0 | 113.9 | A152 M153 E154 Q158 | A152-L156 WeakPolarHBondContact O-CG 3.45Å; A152-L156 PolarHBondContact O-N 2.95Å; A152-L156 VanDerWaalsContact O-N 3.16Å; M153-L156 HydrophobicContact CE-CD1 3.82Å; M153-L156 PolarHBondContact O-N 3.39Å; E154-L156 PolarHBondContact O-N 3Å; L156-Q158 VanDerWaalsContact C-N 3.26Å; L156-Q158 HydrophobicContact CB-CG 4.49Å; L156-Q158 PolarHBondContact O-N 2.68Å |
| 157 | G | 97.6 | Very high | 97.9 | Very high | 61 Ų | 61 | 82.4 Ų | 82.4 | 63% | 0.629 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 3.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | M153 E154 A155 | M153-G157 PolarHBondContact O-N 2.94Å; E154-G157 WeakPolarHBondContact O-CA 3.33Å; E154-G157 PolarHBondContact O-N 3.18Å; A155-G157 VanDerWaalsContact C-N 3.28Å |
| 158 | Q | 97 | Very high | 97.9 | Very high | 81 Ų | 81 | 80 Ų | 80 | 38% | 0.379 | 43% | 0.433 | S | S | . | . | trans | -90.3 | 5 | -178.1 | -59.6 | -59.6 | -35.7 | 0 | 0 | 113.7 | M153 L156 R160 Q161 Y162 | M153-Q158 WeakPolarHBondContact O-CA 3.29Å; M153-Q158 PolarHBondContact O-N 3.21Å; L156-Q158 VanDerWaalsContact C-N 3.26Å; L156-Q158 HydrophobicContact CB-CG 4.49Å; L156-Q158 PolarHBondContact O-N 2.68Å; Q158-R160 PolarHBondContact O-N 3.48Å; Q158-Q161 PolarHBondContact O-N 2.8Å; Q158-Y162 HydrophobicContact CB-CD2 4.18Å; Q158-Y162 HydrophobicContact CB-CE2 3.98Å; Q158-Y162 WeakPolarHBondContact O-CD2 3.38Å | ||
| 159 | G | 96.8 | Very high | 97.9 | Very high | 6 Ų | 6 | 76.8 Ų | 76.8 | 6% | 0.062 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -54.5 | -31 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | M153 Q161 Y162 R163 | M153-G159 PolarHBondContact O-N 2.99Å; G159-Q161 PolarHBondContact O-N 3.21Å; G159-Y162 PolarHBondContact O-N 2.95Å; G159-R163 VanDerWaalsContact O-CB 3.3Å; G159-R163 WeakPolarHBondContact O-CB 3.48Å; G159-R163 VanDerWaalsContact O-CG 3.3Å; G159-R163 WeakPolarHBondContact O-CG 3.34Å; G159-R163 PolarHBondContact O-N 2.8Å |
| 160 | R | 96 | Very high | 97.9 | Very high | 241 Ų | 241 | 74 Ų | 74 | 91% | 0.909 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.5 | -30.8 | 178.6 | -67.5 | -173.6 | -178.5 | -137.1 | 1.3 | 113.3 | Q158 | Q158-R160 PolarHBondContact O-N 3.48Å |
| 161 | Q | 96.8 | Very high | 97.9 | Very high | 116 Ų | 116 | 75.4 Ų | 75.4 | 54% | 0.542 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -78.8 | -35.1 | -179.2 | -61.1 | 179.9 | 10.3 | 0 | 0 | 111.7 | Q158 G159 | Q158-Q161 PolarHBondContact O-N 2.8Å; G159-Q161 PolarHBondContact O-N 3.21Å |
| 162 | Y | 98.3 | Very high | 97.9 | Very high | 82 Ų | 82 | 78.2 Ų | 78.2 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -101.7 | -25.5 | -169.5 | -62 | -71.2 | 0 | 0 | 0 | 114 | F149 M153 Q158 G159 S164 I165 I166 | F149-Y162 HydrophobicContact CE1-CD1 4.14Å; F149-Y162 HydrophobicContact CE1-CG 4.21Å; F149-Y162 HydrophobicContact CZ-CD1 4.32Å; F149-Y162 HydrophobicContact CZ-CE1 4.45Å; M153-Y162 HydrophobicContact CB-CD2 3.89Å; M153-Y162 HydrophobicContact CG-CD2 3.76Å; M153-Y162 HydrophobicContact CG-CE2 4.11Å; M153-Y162 HydrophobicContact CG-CG 4.27Å; M153-Y162 HydrophobicContact SD-CD2 4.2Å; M153-Y162 HydrophobicContact SD-CE2 3.92Å; Q158-Y162 HydrophobicContact CB-CD2 4.18Å; Q158-Y162 HydrophobicContact CB-CE2 3.98Å; Q158-Y162 WeakPolarHBondContact O-CD2 3.38Å; G159-Y162 PolarHBondContact O-N 2.95Å; Y162-S164 PolarHBondContact O-N 3.49Å; Y162-I165 PolarHBondContact O-N 3.04Å; Y162-I165 VanDerWaalsContact O-N 3.17Å; Y162-I166 VanDerWaalsContact O-CG1 3.31Å; Y162-I166 WeakPolarHBondContact O-CG1 3.48Å; Y162-I166 PolarHBondContact O-N 3.47Å |
| 163 | R | 97.8 | Very high | 97.9 | Very high | 134 Ų | 134 | 77.4 Ų | 77.4 | 51% | 0.506 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -48.1 | -53.1 | -174.4 | -96.6 | -176.8 | 177.1 | -170.2 | -2 | 114 | L150 E154 G159 I165 L167 | L150-R163 HydrophobicContact CD1-CG 3.95Å; L150-R163 HydrophobicContact CD2-CG 4.41Å; E154-R163 IonicContact OE1-CZ 3.19Å; E154-R163 IonicContact OE1-NE 2.68Å; E154-R163 PolarHBondContact OE1-NE 2.89Å; E154-R163 IonicContact OE1-NH2 2.82Å; E154-R163 PolarHBondContact OE1-NH2 3.48Å; E154-R163 IonicContact OE2-NH2 3.75Å; G159-R163 VanDerWaalsContact O-CB 3.3Å; G159-R163 WeakPolarHBondContact O-CB 3.48Å; G159-R163 VanDerWaalsContact O-CG 3.3Å; G159-R163 WeakPolarHBondContact O-CG 3.34Å; G159-R163 PolarHBondContact O-N 2.8Å; R163-I165 PolarHBondContact O-N 3.13Å; R163-L167 VanDerWaalsContact O-CB 3.28Å; R163-L167 WeakPolarHBondContact O-CB 3.25Å; R163-L167 WeakPolarHBondContact O-CD1 3.41Å; R163-L167 WeakPolarHBondContact O-CG 3.26Å; R163-L167 PolarHBondContact O-N 3.42Å |
| 164 | S | 98 | Very high | 97.9 | Very high | 85 Ų | 85 | 79.5 Ų | 79.5 | 59% | 0.594 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | -175.7 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | Y162 A168 | Y162-S164 PolarHBondContact O-N 3.49Å; S164-A168 WeakPolarHBondContact O-CB 3.25Å; S164-A168 PolarHBondContact O-N 3.36Å; S164-A168 VanDerWaalsContact O-N 3.11Å |
| 165 | I | 98.2 | Very high | 97.9 | Very high | 91 Ų | 91 | 82.6 Ų | 82.6 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.5 | -50.7 | -179.1 | -59 | 172.1 | 0 | 0 | 0 | 109.9 | Y162 R163 L167 A168 E169 | Y162-I165 PolarHBondContact O-N 3.04Å; Y162-I165 VanDerWaalsContact O-N 3.17Å; R163-I165 PolarHBondContact O-N 3.13Å; I165-L167 PolarHBondContact O-N 2.9Å; I165-A168 WeakPolarHBondContact O-CB 3.43Å; I165-A168 PolarHBondContact O-N 3.31Å; I165-A168 VanDerWaalsContact O-N 3.17Å; I165-E169 WeakPolarHBondContact O-CG 3.48Å; I165-E169 PolarHBondContact O-N 3.46Å |
| 166 | I | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 81.3 Ų | 81.3 | 1% | 0.01 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.9 | -40.4 | -177.4 | -57.8 | -55.6 | 0 | 0 | 0 | 111.6 | R146 F149 L150 Y162 A168 E169 I170 | R146-I166 HydrophobicContact CB-CG2 4Å; R146-I166 WeakPolarHBondContact O-CG2 3.46Å; F149-I166 HydrophobicContact CD1-CD1 3.63Å; F149-I166 HydrophobicContact CD1-CG1 4.01Å; F149-I166 HydrophobicContact CE1-CD1 3.74Å; F149-I166 HydrophobicContact CE1-CG1 4.14Å; L150-I166 HydrophobicContact CB-CG2 4.05Å; L150-I166 HydrophobicContact CD1-CB 4.42Å; L150-I166 HydrophobicContact CD1-CG1 4.33Å; L150-I166 HydrophobicContact CD2-CB 4.47Å; L150-I166 HydrophobicContact CD2-CG2 4.32Å; Y162-I166 VanDerWaalsContact O-CG1 3.31Å; Y162-I166 WeakPolarHBondContact O-CG1 3.48Å; Y162-I166 PolarHBondContact O-N 3.47Å; I166-A168 VanDerWaalsContact C-N 3.31Å; I166-A168 PolarHBondContact O-N 2.76Å; I166-E169 WeakPolarHBondContact CA-OE2 3.44Å; I166-E169 VanDerWaalsContact CD1-OE2 3.28Å; I166-E169 WeakPolarHBondContact CD1-OE2 3.33Å; I166-E169 PolarHBondContact O-N 2.93Å; I166-I170 HydrophobicContact CG2-CD1 3.85Å; I166-I170 HydrophobicContact CG2-CG1 4.31Å; I166-I170 VanDerWaalsContact O-CG1 3.29Å; I166-I170 WeakPolarHBondContact O-CG1 3.49Å; I166-I170 PolarHBondContact O-N 3.47Å |
| 167 | L | 98.3 | Very high | 97.8 | Very high | 93 Ų | 93 | 76.8 Ų | 76.8 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 176.1 | -71.5 | 172.4 | 0 | 0 | 0 | 112 | R163 I165 S171 | R163-L167 VanDerWaalsContact O-CB 3.28Å; R163-L167 WeakPolarHBondContact O-CB 3.25Å; R163-L167 WeakPolarHBondContact O-CD1 3.41Å; R163-L167 WeakPolarHBondContact O-CG 3.26Å; R163-L167 PolarHBondContact O-N 3.42Å; I165-L167 PolarHBondContact O-N 2.9Å; L167-S171 WeakPolarHBondContact O-CB 3.43Å; L167-S171 PolarHBondContact O-N 3.06Å; L167-S171 PolarHBondContact O-OG 3.27Å |
| 168 | A | 98.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 78.4 Ų | 78.4 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S164 I165 I166 S171 Q172 | S164-A168 WeakPolarHBondContact O-CB 3.25Å; S164-A168 PolarHBondContact O-N 3.36Å; S164-A168 VanDerWaalsContact O-N 3.11Å; I165-A168 WeakPolarHBondContact O-CB 3.43Å; I165-A168 PolarHBondContact O-N 3.31Å; I165-A168 VanDerWaalsContact O-N 3.17Å; I166-A168 VanDerWaalsContact C-N 3.31Å; I166-A168 PolarHBondContact O-N 2.76Å; A168-S171 WeakPolarHBondContact O-CB 3.4Å; A168-S171 PolarHBondContact O-N 3.01Å; A168-Q172 PolarHBondContact O-N 2.86Å |
| 169 | E | 98.4 | Very high | 97.9 | Very high | 42 Ų | 42 | 78 Ų | 78 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.6 | -42 | 177.3 | -66.8 | 163.5 | 148 | 0 | 0 | 112 | R146 I165 I166 S171 Q172 K173 | R146-E169 IonicContact CZ-OE1 4Å; R146-E169 VanDerWaalsContact CZ-OE1 3.3Å; R146-E169 IonicContact CZ-OE2 3.85Å; R146-E169 IonicContact NE-OE2 2.77Å; R146-E169 PolarHBondContact NE-OE2 3.49Å; R146-E169 VanDerWaalsContact NH1-CD 3.33Å; R146-E169 IonicContact NH1-OE1 2.78Å; R146-E169 PolarHBondContact NH1-OE1 3.28Å; R146-E169 IonicContact NH1-OE2 3.03Å; R146-E169 PolarHBondContact NH1-OE2 2.82Å; R146-E169 IonicContact NH2-OE1 3.21Å; R146-E169 PolarHBondContact NH2-OE1 3.01Å; R146-E169 IonicContact NH2-OE2 2.82Å; R146-E169 PolarHBondContact NH2-OE2 3.41Å; I165-E169 WeakPolarHBondContact O-CG 3.48Å; I165-E169 PolarHBondContact O-N 3.46Å; I166-E169 WeakPolarHBondContact CA-OE2 3.44Å; I166-E169 VanDerWaalsContact CD1-OE2 3.28Å; I166-E169 WeakPolarHBondContact CD1-OE2 3.33Å; I166-E169 PolarHBondContact O-N 2.93Å; E169-S171 VanDerWaalsContact C-N 3.29Å; E169-S171 PolarHBondContact O-N 3.39Å; E169-Q172 WeakPolarHBondContact O-CB 3.29Å; E169-Q172 PolarHBondContact O-N 3.03Å; E169-K173 WeakPolarHBondContact O-CG 3.21Å; E169-K173 PolarHBondContact O-N 2.77Å |
| 170 | I | 98.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 78.9 Ų | 78.9 | 9% | 0.092 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 172.5 | -70.2 | 168.5 | 0 | 0 | 0 | 109.7 | I143 R146 K147 I166 Q172 K173 L174 | I143-I170 HydrophobicContact CG2-CG2 4.27Å; R146-I170 HydrophobicContact CB-CD1 4.29Å; R146-I170 HydrophobicContact CB-CG1 3.94Å; K147-I170 HydrophobicContact CG-CD1 4.01Å; I166-I170 HydrophobicContact CG2-CD1 3.85Å; I166-I170 HydrophobicContact CG2-CG1 4.31Å; I166-I170 VanDerWaalsContact O-CG1 3.29Å; I166-I170 WeakPolarHBondContact O-CG1 3.49Å; I166-I170 PolarHBondContact O-N 3.47Å; I170-Q172 VanDerWaalsContact C-N 3.29Å; I170-Q172 PolarHBondContact O-N 2.9Å; I170-K173 PolarHBondContact O-N 3.26Å; I170-L174 HydrophobicContact CG2-CD1 4.08Å; I170-L174 HydrophobicContact CG2-CG 4.47Å; I170-L174 WeakPolarHBondContact O-CG 3.37Å; I170-L174 PolarHBondContact O-N 2.87Å |
| 171 | S | 98.4 | Very high | 97.8 | Very high | 49 Ų | 49 | 70.7 Ų | 70.7 | 34% | 0.343 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 178.1 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | L167 A168 E169 R175 | L167-S171 WeakPolarHBondContact O-CB 3.43Å; L167-S171 PolarHBondContact O-N 3.06Å; L167-S171 PolarHBondContact O-OG 3.27Å; A168-S171 WeakPolarHBondContact O-CB 3.4Å; A168-S171 PolarHBondContact O-N 3.01Å; E169-S171 VanDerWaalsContact C-N 3.29Å; E169-S171 PolarHBondContact O-N 3.39Å; S171-R175 WeakPolarHBondContact O-CG 3.43Å; S171-R175 PolarHBondContact O-N 2.93Å; S171-R175 VanDerWaalsContact O-N 3.17Å; S171-R175 PolarHBondContact O-NH1 2.75Å |
| 172 | Q | 98.6 | Very high | 97.8 | Very high | 116 Ų | 116 | 71.7 Ų | 71.7 | 54% | 0.542 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 174.4 | -179.4 | -179 | -4.6 | 0 | 0 | 111.4 | A168 E169 I170 L174 R175 E176 | A168-Q172 PolarHBondContact O-N 2.86Å; E169-Q172 WeakPolarHBondContact O-CB 3.29Å; E169-Q172 PolarHBondContact O-N 3.03Å; I170-Q172 VanDerWaalsContact C-N 3.29Å; I170-Q172 PolarHBondContact O-N 2.9Å; Q172-L174 VanDerWaalsContact C-N 3.34Å; Q172-L174 PolarHBondContact O-N 3.45Å; Q172-R175 PolarHBondContact O-N 2.97Å; Q172-E176 PolarHBondContact O-N 2.99Å; Q172-E176 VanDerWaalsContact O-N 3.13Å |
| 173 | K | 98.2 | Very high | 97.7 | Very high | 32 Ų | 32 | 75.3 Ų | 75.3 | 14% | 0.139 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 178.9 | -66.4 | 176.6 | -164.9 | -50.4 | 0 | 112.3 | L139 E142 I143 E169 I170 E176 M177 | L139-K173 HydrophobicContact CD2-CB 4.15Å; L139-K173 HydrophobicContact CD2-CG 4.17Å; E142-K173 HydrophobicContact CB-CD 3.71Å; E142-K173 WeakPolarHBondContact OE2-CE 3.43Å; E142-K173 IonicContact OE2-NZ 2.75Å; E142-K173 PolarHBondContact OE2-NZ 3.46Å; I143-K173 HydrophobicContact CD1-CB 3.83Å; I143-K173 HydrophobicContact CG1-CB 3.59Å; I143-K173 HydrophobicContact CG1-CD 3.91Å; I143-K173 HydrophobicContact CG1-CG 4.4Å; E169-K173 WeakPolarHBondContact O-CG 3.21Å; E169-K173 PolarHBondContact O-N 2.77Å; I170-K173 PolarHBondContact O-N 3.26Å; K173-E176 PolarHBondContact O-N 2.91Å; K173-M177 WeakPolarHBondContact O-CB 3.31Å; K173-M177 PolarHBondContact O-N 3.08Å |
| 174 | L | 98.3 | Very high | 97.6 | Very high | 78 Ų | 78 | 72.9 Ų | 72.9 | 41% | 0.408 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 174.3 | -74.7 | 172.6 | 0 | 0 | 0 | 112.4 | I143 I170 Q172 E176 M177 E178 | I143-L174 HydrophobicContact CD1-CD2 3.83Å; I143-L174 HydrophobicContact CD1-CG 4.03Å; I170-L174 HydrophobicContact CG2-CD1 4.08Å; I170-L174 HydrophobicContact CG2-CG 4.47Å; I170-L174 WeakPolarHBondContact O-CG 3.37Å; I170-L174 PolarHBondContact O-N 2.87Å; Q172-L174 VanDerWaalsContact C-N 3.34Å; Q172-L174 PolarHBondContact O-N 3.45Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 3.15Å; L174-M177 WeakPolarHBondContact O-CB 3.24Å; L174-M177 PolarHBondContact O-N 2.78Å; L174-E178 WeakPolarHBondContact O-CG 3.31Å; L174-E178 PolarHBondContact O-N 3.12Å |
| 175 | R | 98.2 | Very high | 97.5 | Very high | 139 Ų | 139 | 71.3 Ų | 71.3 | 53% | 0.525 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 175.5 | -73.8 | -175.9 | -68.1 | -92.7 | 3 | 112.3 | S171 Q172 M177 E178 D179 | S171-R175 WeakPolarHBondContact O-CG 3.43Å; S171-R175 PolarHBondContact O-N 2.93Å; S171-R175 VanDerWaalsContact O-N 3.17Å; S171-R175 PolarHBondContact O-NH1 2.75Å; Q172-R175 PolarHBondContact O-N 2.97Å; R175-M177 VanDerWaalsContact C-N 3.3Å; R175-M177 PolarHBondContact O-N 3.17Å; R175-E178 PolarHBondContact O-N 3.08Å; R175-D179 PolarHBondContact O-N 3.15Å |
| 176 | E | 97.1 | Very high | 97.4 | Very high | 63 Ų | 63 | 73.1 Ų | 73.1 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.9 | -168 | -179.7 | 158 | 0 | 0 | 111.3 | R135 L139 Q172 K173 L174 D179 I180 | R135-E176 IonicContact CZ-OE1 3.79Å; R135-E176 IonicContact NE-OE1 2.66Å; R135-E176 PolarHBondContact NE-OE1 3.38Å; R135-E176 IonicContact NH2-OE1 2.7Å; R135-E176 PolarHBondContact NH2-OE1 2.71Å; R135-E176 IonicContact NH2-OE2 2.71Å; R135-E176 PolarHBondContact NH2-OE2 3.35Å; L139-E176 HydrophobicContact CD1-CB 3.88Å; L139-E176 HydrophobicContact CD1-CG 3.75Å; L139-E176 HydrophobicContact CD2-CB 4.43Å; L139-E176 HydrophobicContact CD2-CG 4.45Å; Q172-E176 PolarHBondContact O-N 2.99Å; Q172-E176 VanDerWaalsContact O-N 3.13Å; K173-E176 PolarHBondContact O-N 2.91Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 3.15Å; E176-D179 PolarHBondContact O-N 3.36Å; E176-I180 WeakPolarHBondContact O-CG1 3.06Å; E176-I180 PolarHBondContact O-N 2.95Å |
| 177 | M | 97.2 | Very high | 97.3 | Very high | 28 Ų | 28 | 79 Ų | 79 | 14% | 0.138 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 175 | -170.1 | -176.6 | -65.2 | 0 | 0 | 111.8 | F136 L139 V140 I143 K173 L174 R175 D179 I180 D181 | F136-M177 HydrophobicContact CD2-CG 3.7Å; F136-M177 HydrophobicContact CE1-CG 4.46Å; F136-M177 HydrophobicContact CE1-SD 4.37Å; F136-M177 HydrophobicContact CE2-CB 4.47Å; F136-M177 HydrophobicContact CE2-CG 3.16Å; F136-M177 HydrophobicContact CE2-SD 3.97Å; F136-M177 HydrophobicContact CZ-CG 3.6Å; F136-M177 HydrophobicContact CZ-SD 3.74Å; L139-M177 HydrophobicContact CB-CE 4.06Å; L139-M177 HydrophobicContact CD1-CB 4.27Å; V140-M177 HydrophobicContact CG2-CE 3.74Å; I143-M177 HydrophobicContact CD1-CE 3.69Å; K173-M177 WeakPolarHBondContact O-CB 3.31Å; K173-M177 PolarHBondContact O-N 3.08Å; L174-M177 WeakPolarHBondContact O-CB 3.24Å; L174-M177 PolarHBondContact O-N 2.78Å; R175-M177 VanDerWaalsContact C-N 3.3Å; R175-M177 PolarHBondContact O-N 3.17Å; M177-D179 VanDerWaalsContact C-N 3.31Å; M177-D179 PolarHBondContact O-N 2.88Å; M177-I180 PolarHBondContact O-N 2.7Å; M177-D181 PolarHBondContact O-N 2.66Å |
| 178 | E | 97.6 | Very high | 97.2 | Very high | 95 Ų | 95 | 80 Ų | 80 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 175.3 | -73.2 | 179.6 | -149.4 | 0 | 0 | 112.7 | L174 R175 I180 D181 R182 | L174-E178 WeakPolarHBondContact O-CG 3.31Å; L174-E178 PolarHBondContact O-N 3.12Å; R175-E178 PolarHBondContact O-N 3.08Å; E178-I180 VanDerWaalsContact C-N 3.35Å; E178-D181 PolarHBondContact O-N 2.79Å; E178-R182 WeakPolarHBondContact O-CB 3.49Å; E178-R182 WeakPolarHBondContact O-CG 3.21Å; E178-R182 PolarHBondContact O-N 3.16Å; E178-R182 IonicContact OE2-CZ 2.8Å; E178-R182 IonicContact OE2-NH2 3.03Å; E178-R182 PolarHBondContact OE2-NH2 3.27Å |
| 179 | D | 97.6 | Very high | 97 | Very high | 73 Ų | 73 | 86 Ų | 86 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 178.9 | -79.4 | -22.9 | 0 | 0 | 0 | 111.7 | R175 E176 M177 R182 R183 | R175-D179 PolarHBondContact O-N 3.15Å; E176-D179 PolarHBondContact O-N 3.36Å; M177-D179 VanDerWaalsContact C-N 3.31Å; M177-D179 PolarHBondContact O-N 2.88Å; D179-R182 PolarHBondContact O-N 3.04Å; D179-R183 VanDerWaalsContact O-CG 3.24Å; D179-R183 WeakPolarHBondContact O-CG 3.35Å; D179-R183 PolarHBondContact O-N 3.22Å |
| 180 | I | 95.9 | Very high | 97 | Very high | 23 Ų | 23 | 91.1 Ų | 91.1 | 12% | 0.118 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 173.2 | -68.1 | 166.5 | 0 | 0 | 0 | 110 | R135 F136 L139 E176 M177 E178 R182 R183 R184 | R135-I180 HydrophobicContact CB-CD1 4.21Å; R135-I180 HydrophobicContact CG-CD1 3.75Å; F136-I180 HydrophobicContact CD2-CG2 4.21Å; L139-I180 HydrophobicContact CD1-CD1 3.77Å; E176-I180 WeakPolarHBondContact O-CG1 3.06Å; E176-I180 PolarHBondContact O-N 2.95Å; M177-I180 PolarHBondContact O-N 2.7Å; E178-I180 VanDerWaalsContact C-N 3.35Å; I180-R182 VanDerWaalsContact C-N 3.35Å; I180-R182 PolarHBondContact O-N 3.19Å; I180-R183 WeakPolarHBondContact O-CB 3.44Å; I180-R183 PolarHBondContact O-N 3.28Å; I180-R183 VanDerWaalsContact O-N 3.16Å; I180-R184 HydrophobicContact CG2-CG 4.47Å; I180-R184 VanDerWaalsContact CG2-CZ 3.5Å; I180-R184 VanDerWaalsContact CG2-NE 3.32Å; I180-R184 WeakPolarHBondContact O-CG 3.5Å; I180-R184 PolarHBondContact O-N 2.98Å |
| 181 | D | 96.3 | Very high | 96.8 | Very high | 69 Ų | 69 | 92.9 Ų | 92.9 | 37% | 0.369 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 179.3 | -82.9 | -9 | 0 | 0 | 0 | 112.8 | F136 M177 E178 R183 R184 S185 | F136-D181 VanDerWaalsContact CE2-OD1 3.26Å; F136-D181 WeakPolarHBondContact CE2-OD1 3.4Å; M177-D181 PolarHBondContact O-N 2.66Å; E178-D181 PolarHBondContact O-N 2.79Å; D181-R183 VanDerWaalsContact C-N 3.33Å; D181-R183 PolarHBondContact O-N 3.23Å; D181-R184 PolarHBondContact O-N 3.09Å; D181-S185 VanDerWaalsContact O-CB 3.25Å; D181-S185 WeakPolarHBondContact O-CB 3.29Å; D181-S185 PolarHBondContact O-N 2.78Å; D181-S185 PolarHBondContact O-OG 2.91Å |
| 182 | R | 97.1 | Very high | 96.7 | Very high | 138 Ų | 138 | 96.7 Ų | 96.7 | 52% | 0.521 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 175.4 | -73.2 | 171.5 | -168.8 | -172.1 | 8.4 | 111.6 | E178 D179 I180 K186 | E178-R182 WeakPolarHBondContact O-CB 3.49Å; E178-R182 WeakPolarHBondContact O-CG 3.21Å; E178-R182 PolarHBondContact O-N 3.16Å; E178-R182 IonicContact OE2-CZ 2.8Å; E178-R182 IonicContact OE2-NH2 3.03Å; E178-R182 PolarHBondContact OE2-NH2 3.27Å; D179-R182 PolarHBondContact O-N 3.04Å; I180-R182 VanDerWaalsContact C-N 3.35Å; I180-R182 PolarHBondContact O-N 3.19Å; R182-K186 WeakPolarHBondContact O-CD 3.3Å; R182-K186 WeakPolarHBondContact O-CG 3.34Å; R182-K186 PolarHBondContact O-N 3.42Å; R182-K186 VanDerWaalsContact O-N 3.12Å |
| 183 | R | 95.8 | Very high | 96.4 | Very high | 157 Ų | 157 | 95.2 Ų | 95.2 | 59% | 0.592 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.4 | -51.6 | 176.9 | -72.5 | 170.9 | -165.2 | -173.7 | 6.1 | 110.7 | D179 I180 D181 S185 K186 E187 | D179-R183 VanDerWaalsContact O-CG 3.24Å; D179-R183 WeakPolarHBondContact O-CG 3.35Å; D179-R183 PolarHBondContact O-N 3.22Å; I180-R183 WeakPolarHBondContact O-CB 3.44Å; I180-R183 PolarHBondContact O-N 3.28Å; I180-R183 VanDerWaalsContact O-N 3.16Å; D181-R183 VanDerWaalsContact C-N 3.33Å; D181-R183 PolarHBondContact O-N 3.23Å; R183-S185 VanDerWaalsContact C-N 3.33Å; R183-S185 PolarHBondContact O-N 3.05Å; R183-K186 WeakPolarHBondContact O-CB 3.44Å; R183-K186 PolarHBondContact O-N 2.93Å; R183-K186 VanDerWaalsContact O-N 3.08Å; R183-E187 WeakPolarHBondContact O-CG 3.47Å; R183-E187 PolarHBondContact O-N 2.87Å |
| 184 | R | 95.3 | Very high | 96 | Very high | 83 Ų | 83 | 99.7 Ų | 99.7 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.6 | -47.2 | 177 | -70.7 | 174.9 | -177.5 | -172.1 | -1.5 | 112.2 | D134 I180 D181 K186 E187 L188 | D134-R184 IonicContact OD1-CZ 3.02Å; D134-R184 IonicContact OD1-NH2 3.9Å; D134-R184 PolarHBondContact OD1-NH2 3.06Å; D134-R184 IonicContact OD2-CZ 3.92Å; D134-R184 IonicContact OD2-NH1 3.34Å; D134-R184 PolarHBondContact OD2-NH1 2.67Å; D134-R184 IonicContact OD2-NH2 2.66Å; D134-R184 PolarHBondContact OD2-NH2 3.18Å; I180-R184 HydrophobicContact CG2-CG 4.47Å; I180-R184 VanDerWaalsContact CG2-CZ 3.5Å; I180-R184 VanDerWaalsContact CG2-NE 3.32Å; I180-R184 WeakPolarHBondContact O-CG 3.5Å; I180-R184 PolarHBondContact O-N 2.98Å; D181-R184 PolarHBondContact O-N 3.09Å; R184-K186 VanDerWaalsContact C-N 3.3Å; R184-K186 PolarHBondContact O-N 2.95Å; R184-E187 PolarHBondContact O-N 3.4Å; R184-L188 WeakPolarHBondContact O-CB 3.42Å; R184-L188 VanDerWaalsContact O-CG 3.3Å; R184-L188 WeakPolarHBondContact O-CG 3.49Å; R184-L188 PolarHBondContact O-N 3.1Å |
| 185 | S | 96 | Very high | 94.7 | Very high | 53 Ų | 53 | 104 Ų | 104 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 178.6 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | D181 R183 R189 | D181-S185 VanDerWaalsContact O-CB 3.25Å; D181-S185 WeakPolarHBondContact O-CB 3.29Å; D181-S185 PolarHBondContact O-N 2.78Å; D181-S185 PolarHBondContact O-OG 2.91Å; R183-S185 VanDerWaalsContact C-N 3.33Å; R183-S185 PolarHBondContact O-N 3.05Å; S185-R189 VanDerWaalsContact O-CG 3.29Å; S185-R189 WeakPolarHBondContact O-CG 3.17Å; S185-R189 PolarHBondContact O-N 3.44Å; S185-R189 VanDerWaalsContact O-N 3.08Å |
| 186 | K | 96.8 | Very high | 94.5 | Very high | 128 Ų | 128 | 102.2 Ų | 102.2 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.4 | -42.5 | 176 | -74.3 | 169.7 | -177.2 | 179.5 | 0 | 111.7 | R182 R183 R184 R189 K190 | R182-K186 WeakPolarHBondContact O-CD 3.3Å; R182-K186 WeakPolarHBondContact O-CG 3.34Å; R182-K186 PolarHBondContact O-N 3.42Å; R182-K186 VanDerWaalsContact O-N 3.12Å; R183-K186 WeakPolarHBondContact O-CB 3.44Å; R183-K186 PolarHBondContact O-N 2.93Å; R183-K186 VanDerWaalsContact O-N 3.08Å; R184-K186 VanDerWaalsContact C-N 3.3Å; R184-K186 PolarHBondContact O-N 2.95Å; K186-R189 PolarHBondContact O-N 3.19Å; K186-K190 WeakPolarHBondContact O-CG 3.04Å; K186-K190 PolarHBondContact O-N 3.49Å |
| 187 | E | 95.5 | Very high | 94.4 | Very high | 125 Ų | 125 | 104.3 Ų | 104.3 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 177 | -72.3 | 166.4 | -169.9 | 0 | 0 | 111.3 | R183 R184 R189 K190 A191 | R183-E187 WeakPolarHBondContact O-CG 3.47Å; R183-E187 PolarHBondContact O-N 2.87Å; R184-E187 PolarHBondContact O-N 3.4Å; E187-R189 PolarHBondContact O-N 3.09Å; E187-K190 WeakPolarHBondContact O-CB 3.45Å; E187-K190 PolarHBondContact O-N 3.41Å; E187-A191 PolarHBondContact O-N 2.86Å |
| 188 | L | 95.1 | Very high | 94.2 | Very high | 114 Ų | 114 | 108.5 Ų | 108.5 | 60% | 0.597 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.5 | -46.2 | 175.4 | -72.3 | 171.4 | 0 | 0 | 0 | 112 | R184 K190 A191 L192 | R184-L188 WeakPolarHBondContact O-CB 3.42Å; R184-L188 VanDerWaalsContact O-CG 3.3Å; R184-L188 WeakPolarHBondContact O-CG 3.49Å; R184-L188 PolarHBondContact O-N 3.1Å; L188-K190 VanDerWaalsContact C-N 3.32Å; L188-K190 PolarHBondContact O-N 2.67Å; L188-A191 PolarHBondContact O-N 2.99Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å; L188-L192 PolarHBondContact O-N 3.03Å |
| 189 | R | 96.3 | Very high | 94 | Very high | 183 Ų | 183 | 109.3 Ų | 109.3 | 69% | 0.691 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.9 | -39.5 | 176.7 | -75.5 | 175.9 | -171.9 | 167.4 | 4 | 112.5 | S185 K186 E187 A193 | S185-R189 VanDerWaalsContact O-CG 3.29Å; S185-R189 WeakPolarHBondContact O-CG 3.17Å; S185-R189 PolarHBondContact O-N 3.44Å; S185-R189 VanDerWaalsContact O-N 3.08Å; K186-R189 PolarHBondContact O-N 3.19Å; E187-R189 PolarHBondContact O-N 3.09Å; R189-A193 WeakPolarHBondContact O-CB 3.35Å; R189-A193 PolarHBondContact O-N 3.11Å; R189-A193 VanDerWaalsContact O-N 3.09Å |
| 190 | K | 96.8 | Very high | 93.8 | Very high | 150 Ų | 150 | 111.6 Ų | 111.6 | 65% | 0.652 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -46.2 | 176.1 | -72.9 | 174 | -180 | -176.9 | 0 | 111.3 | K186 E187 L188 L192 A193 T194 | K186-K190 WeakPolarHBondContact O-CG 3.04Å; K186-K190 PolarHBondContact O-N 3.49Å; E187-K190 WeakPolarHBondContact O-CB 3.45Å; E187-K190 PolarHBondContact O-N 3.41Å; L188-K190 VanDerWaalsContact C-N 3.32Å; L188-K190 PolarHBondContact O-N 2.67Å; K190-L192 VanDerWaalsContact C-N 3.32Å; K190-L192 PolarHBondContact O-N 3.34Å; K190-A193 PolarHBondContact O-N 2.82Å; K190-T194 WeakPolarHBondContact O-CG2 3.13Å; K190-T194 PolarHBondContact O-N 3.11Å; K190-T194 VanDerWaalsContact O-N 3.11Å; K190-T194 PolarHBondContact O-OG1 3.44Å |
| 191 | A | 95.5 | Very high | 93.7 | Very high | 55 Ų | 55 | 117.5 Ų | 117.5 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60 | -42.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E187 L188 A193 T194 T195 | E187-A191 PolarHBondContact O-N 2.86Å; L188-A191 PolarHBondContact O-N 2.99Å; A191-A193 PolarHBondContact O-N 2.87Å; A191-T194 WeakPolarHBondContact CA-OG1 3.48Å; A191-T194 PolarHBondContact O-N 3.44Å; A191-T194 PolarHBondContact O-OG1 2.79Å; A191-T195 PolarHBondContact O-OG1 3.23Å |
| 192 | L | 94.8 | Very high | 93.5 | Very high | 129 Ų | 129 | 120.9 Ų | 120.9 | 68% | 0.675 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.2 | -39 | 175.9 | -68.6 | 175.5 | 0 | 0 | 0 | 112.5 | L188 K190 T194 T195 | L188-L192 WeakPolarHBondContact O-CG 3.48Å; L188-L192 PolarHBondContact O-N 3.03Å; K190-L192 VanDerWaalsContact C-N 3.32Å; K190-L192 PolarHBondContact O-N 3.34Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 2.7Å; L192-T195 PolarHBondContact O-N 3.3Å; L192-T195 PolarHBondContact O-OG1 3Å |
| 193 | A | 93.4 | Very high | 93.2 | Very high | 85 Ų | 85 | 119.6 Ų | 119.6 | 70% | 0.702 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.2 | -19.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R189 K190 A191 | R189-A193 WeakPolarHBondContact O-CB 3.35Å; R189-A193 PolarHBondContact O-N 3.11Å; R189-A193 VanDerWaalsContact O-N 3.09Å; K190-A193 PolarHBondContact O-N 2.82Å; A191-A193 PolarHBondContact O-N 2.87Å |
| 194 | T | 89.3 | Confident | 93 | Very high | 125 Ų | 125 | 116.5 Ų | 116.5 | 77% | 0.767 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -4.8 | 176.8 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | K190 A191 L192 | K190-T194 WeakPolarHBondContact O-CG2 3.13Å; K190-T194 PolarHBondContact O-N 3.11Å; K190-T194 VanDerWaalsContact O-N 3.11Å; K190-T194 PolarHBondContact O-OG1 3.44Å; A191-T194 WeakPolarHBondContact CA-OG1 3.48Å; A191-T194 PolarHBondContact O-N 3.44Å; A191-T194 PolarHBondContact O-OG1 2.79Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 2.7Å |
| 195 | T | 71 | Confident | 92.8 | Very high | 168 Ų | 168 | 119.5 Ų | 119.5 | 100% | 1.031 | 64% | 0.644 | S | S | * | * | trans | -98.7 | 0 | 177.2 | 2 | 0 | 0 | 0 | 0 | 110.6 | A191 L192 | A191-T195 PolarHBondContact O-OG1 3.23Å; L192-T195 PolarHBondContact O-N 3.3Å; L192-T195 PolarHBondContact O-OG1 3Å |
Retrieved 195 of 195 residues in 388.1 ms
(Link to these results)