| 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 | 35.3 | Very low | 40.6 | Very low | 243 Ų | 243 | 157 Ų | 157 | 100% | 1.197 | 85% | 0.853 | S | S | * | * | 0 | 117.2 | 0 | -78.2 | -79 | -178.4 | 0 | 0 | 107.2 | |||||
| 2 | Y | 43.2 | Very low | 40.7 | Very low | 231 Ų | 231 | 163.3 Ų | 163.3 | 91% | 0.906 | 86% | 0.855 | S | S | * | * | trans | -65.4 | 127.8 | -169.3 | -73.6 | -100.7 | 0 | 0 | 0 | 112 | ||||
| 3 | G | 34.2 | Very low | 40.6 | Very low | 80 Ų | 80 | 162.9 Ų | 162.9 | 83% | 0.825 | 85% | 0.854 | S | S | * | * | trans | -121.1 | 69.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G5 | G3-G5 VanDerWaalsContact C-N 3.28Å; G3-G5 PolarHBondContact O-N 3.3Å | ||
| 4 | F | 40.5 | Very low | 40.6 | Very low | 194 Ų | 194 | 160.6 Ų | 160.6 | 85% | 0.851 | 85% | 0.85 | S | S | * | * | trans | -72.4 | 85.2 | 175.6 | -139.6 | -97.5 | 0 | 0 | 0 | 108.1 | T6 | F4-T6 PolarHBondContact O-N 2.68Š| ||
| 5 | G | 41.5 | Very low | 40.5 | Very low | 60 Ų | 60 | 157.1 Ų | 157.1 | 62% | 0.619 | 84% | 0.838 | S | S | * | * | trans | -69 | 106.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | G3 W7 | G3-G5 VanDerWaalsContact C-N 3.28Å; G3-G5 PolarHBondContact O-N 3.3Å; G5-W7 PolarHBondContact O-N 3.3Å | ||
| 6 | T | 47.3 | Very low | 40.6 | Very low | 129 Ų | 129 | 156.9 Ų | 156.9 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | -58.8 | 107.6 | 174.5 | 52 | 0 | 0 | 0 | 0 | 111.3 | F4 | F4-T6 PolarHBondContact O-N 2.68Š| ||
| 7 | W | 38.8 | Very low | 40.5 | Very low | 251 Ų | 251 | 155.7 Ų | 155.7 | 95% | 0.951 | 83% | 0.828 | S | S | * | * | trans | -97.8 | 108 | 162.9 | -84.9 | 91.2 | 0 | 0 | 0 | 109.5 | G5 | G5-W7 PolarHBondContact O-N 3.3Š| ||
| 8 | K | 42.6 | Very low | 40.8 | Very low | 204 Ų | 204 | 153.7 Ų | 153.7 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -96.4 | 114.9 | 177.4 | -174 | -179.3 | -177.9 | 174.4 | 0 | 108.4 | ||||
| 9 | G | 40.5 | Very low | 41.1 | Very low | 67 Ų | 67 | 153.1 Ų | 153.1 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | 92.5 | 102.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 10 | Q | 40 | Very low | 41.2 | Very low | 195 Ų | 195 | 149.7 Ų | 149.7 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | -163.3 | 109.4 | 127.8 | -159.7 | 73.3 | 20.3 | 0 | 0 | 108.2 | R12 | Q10-R12 PolarHBondContact O-N 3.33Š| |||
| 11 | G | 43.3 | Very low | 41.3 | Very low | 73 Ų | 73 | 146 Ų | 146 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -62.2 | 126.5 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 12 | R | 41.6 | Very low | 41.5 | Very low | 232 Ų | 232 | 141.8 Ų | 141.8 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | -176.1 | 107.2 | 121.6 | -93 | -171 | -55.6 | 163.4 | 5.6 | 106.2 | Q10 V14 | Q10-R12 PolarHBondContact O-N 3.33Å; R12-V14 PolarHBondContact O-N 3.25Å | |||
| 13 | D | 39.2 | Very low | 41.5 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | trans | -52.5 | 107.3 | 176.3 | -69.9 | -69.9 | 0 | 0 | 0 | 110.7 | ||||
| 14 | V | 40.4 | Very low | 42.1 | Very low | 131 Ų | 131 | 138 Ų | 138 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | trans | -90.4 | 96.1 | 157.5 | 174 | 0 | 0 | 0 | 0 | 104.6 | R12 I16 | R12-V14 PolarHBondContact O-N 3.25Å; V14-I16 PolarHBondContact O-N 3.19Å | ||
| 15 | T | 39.3 | Very low | 42.4 | Very low | 108 Ų | 108 | 131 Ų | 131 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | trans | -51.9 | 131.1 | -173.7 | -33.9 | 0 | 0 | 0 | 0 | 111.7 | D17 | T15-D17 PolarHBondContact O-N 3.18Š| ||
| 16 | I | 41.5 | Very low | 42.5 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -86.1 | 36.2 | -168.7 | -73.3 | 160.5 | 0 | 0 | 0 | 111.5 | V14 | V14-I16 PolarHBondContact O-N 3.19Š|
| 17 | D | 40.1 | Very low | 42.5 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | trans | -108 | 5.9 | -173.4 | -81.1 | -67.3 | 0 | 0 | 0 | 115.7 | T15 L19 | T15-D17 PolarHBondContact O-N 3.18Å; D17-L19 VanDerWaalsContact C-N 3.35Å; D17-L19 PolarHBondContact O-N 3.19Å | ||
| 18 | D | 45.8 | Very low | 43.2 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 64% | 0.642 | 67% | 0.667 | S | S | * | * | trans | -98.5 | 56.8 | 178.2 | -117.7 | -64.6 | 0 | 0 | 0 | 112.6 | P20 | D18-P20 WeakPolarHBondContact O-CD 3.49Š| ||
| 19 | L | 46.7 | Very low | 43.3 | Very low | 141 Ų | 141 | 122 Ų | 122 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 25.5 | 180 | -133 | 84.6 | 0 | 0 | 0 | 117.5 | D17 | D17-L19 VanDerWaalsContact C-N 3.35Å; D17-L19 PolarHBondContact O-N 3.19Å |
| 20 | P | 43.3 | Very low | 43.4 | Very low | 85 Ų | 85 | 124.2 Ų | 124.2 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -18.7 | 159.4 | 31.9 | -27.2 | 0 | 0 | 0 | 113.1 | D18 F24 | D18-P20 WeakPolarHBondContact O-CD 3.49Å; P20-F24 PolarHBondContact O-N 3.27Å |
| 21 | L | 42.1 | Very low | 43.4 | Very low | 73 Ų | 73 | 121.5 Ų | 121.5 | 38% | 0.382 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.7 | -37.6 | -174.8 | -155.3 | 85.9 | 0 | 0 | 0 | 112.4 | L25 | L21-L25 HydrophobicContact CG-CD1 4.28Å; L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 WeakPolarHBondContact O-CD1 3.42Å; L21-L25 PolarHBondContact O-N 2.95Å |
| 22 | F | 40.7 | Very low | 43.5 | Very low | 154 Ų | 154 | 120.3 Ų | 120.3 | 68% | 0.675 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.6 | -35.8 | -177.7 | -129.6 | -93.1 | 0 | 0 | 0 | 112.4 | L25 I26 | F22-L25 WeakPolarHBondContact O-CB 3.29Å; F22-L25 PolarHBondContact O-N 3.28Å; F22-I26 PolarHBondContact O-N 3.42Å |
| 23 | S | 42.1 | Very low | 43.6 | Very low | 91 Ų | 91 | 114.9 Ų | 114.9 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.6 | -35.2 | 177.1 | -162.6 | 0 | 0 | 0 | 0 | 112 | L25 I26 N27 | S23-L25 VanDerWaalsContact C-N 3.31Å; S23-I26 PolarHBondContact O-N 3.39Å; S23-N27 PolarHBondContact O-N 3.13Å |
| 24 | F | 47.4 | Very low | 43.8 | Very low | 141 Ų | 141 | 115.6 Ų | 115.6 | 62% | 0.618 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.4 | -34.4 | 170.5 | -165.2 | -98.8 | 0 | 0 | 0 | 111.3 | P20 I26 N28 | P20-F24 PolarHBondContact O-N 3.27Å; F24-I26 PolarHBondContact O-N 3.42Å; F24-N28 WeakPolarHBondContact O-CB 3.46Å; F24-N28 PolarHBondContact O-N 3.19Å; F24-N28 VanDerWaalsContact O-N 3.14Å |
| 25 | L | 45.7 | Very low | 44.1 | Very low | 46 Ų | 46 | 112 Ų | 112 | 24% | 0.241 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -62.5 | -34.5 | 175.1 | -113.3 | 84.4 | 0 | 0 | 0 | 114 | L21 F22 S23 I143 Q146 | L21-L25 HydrophobicContact CG-CD1 4.28Å; L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 WeakPolarHBondContact O-CD1 3.42Å; L21-L25 PolarHBondContact O-N 2.95Å; F22-L25 WeakPolarHBondContact O-CB 3.29Å; F22-L25 PolarHBondContact O-N 3.28Å; S23-L25 VanDerWaalsContact C-N 3.31Å; L25-I143 HydrophobicContact CD2-CD1 4.03Å; L25-I143 HydrophobicContact CD2-CG1 4.12Å; L25-Q146 VanDerWaalsContact CD1-OE1 3.22Å |
| 26 | I | 43.9 | Very low | 44.2 | Very low | 131 Ų | 131 | 112.5 Ų | 112.5 | 67% | 0.672 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -78 | -38.1 | 179.6 | -63.6 | -149.9 | 0 | 0 | 0 | 111.7 | F22 S23 F24 N28 | F22-I26 PolarHBondContact O-N 3.42Å; S23-I26 PolarHBondContact O-N 3.39Å; F24-I26 PolarHBondContact O-N 3.42Å; I26-N28 PolarHBondContact O-N 3.44Å |
| 27 | N | 46.7 | Very low | 44.2 | Very low | 139 Ų | 139 | 109 Ų | 109 | 74% | 0.743 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.9 | -13.5 | 175.2 | -133.8 | -46.4 | 0 | 0 | 0 | 112.8 | S23 Q29 | S23-N27 PolarHBondContact O-N 3.13Å; N27-Q29 VanDerWaalsContact C-N 3.34Å; N27-Q29 PolarHBondContact O-N 3.19Å |
| 28 | N | 54.1 | Low | 44.2 | Very low | 32 Ų | 32 | 109.7 Ų | 109.7 | 17% | 0.171 | 57% | 0.568 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | 14 | -179.6 | -173.8 | 29.6 | 0 | 0 | 0 | 114.7 | F24 I26 T30 F31 I32 | F24-N28 WeakPolarHBondContact O-CB 3.46Å; F24-N28 PolarHBondContact O-N 3.19Å; F24-N28 VanDerWaalsContact O-N 3.14Å; I26-N28 PolarHBondContact O-N 3.44Å; N28-T30 PolarHBondContact O-N 3.23Å; N28-F31 WeakPolarHBondContact OD1-CB 3.29Å; N28-I32 WeakPolarHBondContact O-CG1 3.5Å |
| 29 | Q | 44.9 | Very low | 44.2 | Very low | 154 Ų | 154 | 108.4 Ų | 108.4 | 72% | 0.72 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -29.5 | 165.5 | -82 | -71 | -36.2 | 0 | 0 | 111.9 | N27 | N27-Q29 VanDerWaalsContact C-N 3.34Å; N27-Q29 PolarHBondContact O-N 3.19Å |
| 30 | T | 42.9 | Very low | 44.2 | Very low | 114 Ų | 114 | 107.5 Ų | 107.5 | 70% | 0.699 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -30.1 | -175.5 | -52 | 0 | 0 | 0 | 0 | 113.6 | N28 | N28-T30 PolarHBondContact O-N 3.23Š|
| 31 | F | 40.2 | Very low | 44.2 | Very low | 137 Ų | 137 | 108.8 Ų | 108.8 | 60% | 0.601 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -78.3 | -25.7 | -175.3 | -161.3 | -102.7 | 0 | 0 | 0 | 112.7 | N28 V33 K34 V35 | N28-F31 WeakPolarHBondContact OD1-CB 3.29Å; F31-V33 VanDerWaalsContact C-N 3.33Å; F31-V33 PolarHBondContact O-N 3.42Å; F31-K34 PolarHBondContact O-N 3.1Å; F31-V35 HydrophobicContact CD1-CG2 3.67Å; F31-V35 HydrophobicContact CE1-CG2 3.45Å; F31-V35 VanDerWaalsContact CE1-CG2 3.45Å; F31-V35 HydrophobicContact CG-CG2 4.49Å; F31-V35 HydrophobicContact CZ-CG2 4.12Å; F31-V35 WeakPolarHBondContact O-CG2 3.2Å; F31-V35 PolarHBondContact O-N 3.46Å |
| 32 | I | 43.9 | Very low | 44.3 | Very low | 48 Ų | 48 | 112.7 Ų | 112.7 | 25% | 0.246 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -69.1 | -27.6 | 179.5 | -64.5 | -50.8 | 0 | 0 | 0 | 113.3 | N28 K34 | N28-I32 WeakPolarHBondContact O-CG1 3.5Å; I32-K34 VanDerWaalsContact C-N 3.3Å |
| 33 | V | 44.9 | Very low | 44.5 | Very low | 119 Ų | 119 | 108.9 Ų | 108.9 | 72% | 0.721 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73 | -26.1 | 175.7 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | F31 | F31-V33 VanDerWaalsContact C-N 3.33Å; F31-V33 PolarHBondContact O-N 3.42Å |
| 34 | K | 43.3 | Very low | 44.6 | Very low | 173 Ų | 173 | 110.2 Ų | 110.2 | 75% | 0.752 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -94.9 | -14.8 | -174.8 | -152.9 | 154.2 | 176.5 | 74.6 | 0 | 114.6 | F31 I32 P37 | F31-K34 PolarHBondContact O-N 3.1Å; I32-K34 VanDerWaalsContact C-N 3.3Å; K34-P37 VanDerWaalsContact O-CD 3.31Å; K34-P37 WeakPolarHBondContact O-CD 3.16Å |
| 35 | V | 45.8 | Very low | 44.4 | Very low | 57 Ų | 57 | 112.4 Ų | 112.4 | 35% | 0.345 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -93.2 | -13 | 179.3 | 173.2 | 0 | 0 | 0 | 0 | 113.7 | F31 | F31-V35 HydrophobicContact CD1-CG2 3.67Å; F31-V35 HydrophobicContact CE1-CG2 3.45Å; F31-V35 VanDerWaalsContact CE1-CG2 3.45Å; F31-V35 HydrophobicContact CG-CG2 4.49Å; F31-V35 HydrophobicContact CZ-CG2 4.12Å; F31-V35 WeakPolarHBondContact O-CG2 3.2Å; F31-V35 PolarHBondContact O-N 3.46Å |
| 36 | Q | 42.1 | Very low | 44.3 | Very low | 117 Ų | 117 | 112.9 Ų | 112.9 | 55% | 0.547 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71 | -30.6 | 175.5 | -93.6 | -78.4 | 85.9 | 0 | 0 | 116.6 | ||
| 37 | P | 41.3 | Very low | 44.2 | Very low | 79 Ų | 79 | 110 Ų | 110 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.3 | -26.4 | -179.8 | 27.5 | -32.3 | 0 | 0 | 0 | 113.8 | K34 L41 | K34-P37 VanDerWaalsContact O-CD 3.31Å; K34-P37 WeakPolarHBondContact O-CD 3.16Å; P37-L41 WeakPolarHBondContact O-CB 3.41Å; P37-L41 PolarHBondContact O-N 3.45Å |
| 38 | E | 39.6 | Very low | 44 | Very low | 152 Ų | 152 | 107.9 Ų | 107.9 | 71% | 0.71 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -80.1 | -38 | -177.5 | -98.7 | -128.3 | 97.5 | 0 | 0 | 113.8 | L41 F42 | E38-L41 PolarHBondContact O-N 3.1Å; E38-F42 PolarHBondContact O-N 3.39Å |
| 39 | V | 45.9 | Very low | 43.6 | Very low | 94 Ų | 94 | 111.4 Ų | 111.4 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.9 | -32.2 | -179.2 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | S43 | V39-S43 PolarHBondContact O-N 3.2Å; V39-S43 VanDerWaalsContact O-N 3.13Å |
| 40 | L | 46.4 | Very low | 43.6 | Very low | 121 Ų | 121 | 111.3 Ų | 111.3 | 63% | 0.634 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.4 | -36.1 | 172.6 | -149.1 | 91.7 | 0 | 0 | 0 | 111.5 | S43 Q44 | L40-S43 PolarHBondContact O-N 3.09Å; L40-Q44 PolarHBondContact O-N 2.93Å |
| 41 | L | 43.9 | Very low | 43.5 | Very low | 112 Ų | 112 | 109.7 Ų | 109.7 | 59% | 0.586 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.2 | -35.7 | 174.8 | -117.5 | 167.2 | 0 | 0 | 0 | 112.2 | P37 E38 S43 Q44 R45 | P37-L41 WeakPolarHBondContact O-CB 3.41Å; P37-L41 PolarHBondContact O-N 3.45Å; E38-L41 PolarHBondContact O-N 3.1Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-Q44 PolarHBondContact O-N 3.45Å; L41-R45 WeakPolarHBondContact O-CB 3.39Å; L41-R45 PolarHBondContact O-N 3.15Å |
| 42 | F | 43.9 | Very low | 43.4 | Very low | 155 Ų | 155 | 107.6 Ų | 107.6 | 68% | 0.68 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.3 | -33.7 | 174.3 | -163.4 | -101.5 | 0 | 0 | 0 | 111.7 | E38 S46 | E38-F42 PolarHBondContact O-N 3.39Å; F42-S46 VanDerWaalsContact O-CB 3.25Å; F42-S46 WeakPolarHBondContact O-CB 3.42Å; F42-S46 PolarHBondContact O-N 3.43Å; F42-S46 PolarHBondContact O-OG 3.44Å |
| 43 | S | 46.4 | Very low | 43.3 | Very low | 74 Ų | 74 | 109.7 Ų | 109.7 | 52% | 0.517 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -75.1 | -36 | 173.6 | -165.4 | 0 | 0 | 0 | 0 | 113.6 | V39 L40 L41 S47 | V39-S43 PolarHBondContact O-N 3.2Å; V39-S43 VanDerWaalsContact O-N 3.13Å; L40-S43 PolarHBondContact O-N 3.09Å; L41-S43 VanDerWaalsContact C-N 3.33Å; S43-S47 PolarHBondContact O-N 3Å; S43-S47 VanDerWaalsContact O-N 3.14Å; S43-S47 PolarHBondContact O-OG 3.45Å |
| 44 | Q | 43 | Very low | 43.1 | Very low | 119 Ų | 119 | 107.6 Ų | 107.6 | 56% | 0.556 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.8 | -43.2 | 173.6 | -104.9 | -68.1 | -10.5 | 0 | 0 | 111.7 | L40 L41 S46 S47 T48 | L40-Q44 PolarHBondContact O-N 2.93Å; L41-Q44 PolarHBondContact O-N 3.45Å; Q44-S46 PolarHBondContact O-N 2.9Å; Q44-S47 PolarHBondContact O-N 3.33Å; Q44-T48 PolarHBondContact O-N 3.08Å; Q44-T48 VanDerWaalsContact O-N 3.12Å; Q44-T48 PolarHBondContact O-OG1 3.04Å |
| 45 | R | 44.6 | Very low | 43.1 | Very low | 188 Ų | 188 | 105.8 Ų | 105.8 | 71% | 0.709 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.6 | -31.3 | 173.9 | -168.5 | 166.8 | 180 | -166.4 | -0.6 | 112.1 | L41 V49 | L41-R45 WeakPolarHBondContact O-CB 3.39Å; L41-R45 PolarHBondContact O-N 3.15Å; R45-V49 WeakPolarHBondContact O-CG2 3.4Å; R45-V49 PolarHBondContact O-N 3.05Å |
| 46 | S | 42.6 | Very low | 42.8 | Very low | 56 Ų | 56 | 108.6 Ų | 108.6 | 39% | 0.392 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.9 | -27.4 | 172.3 | -62 | 0 | 0 | 0 | 0 | 113.5 | F42 Q44 M50 | F42-S46 VanDerWaalsContact O-CB 3.25Å; F42-S46 WeakPolarHBondContact O-CB 3.42Å; F42-S46 PolarHBondContact O-N 3.43Å; F42-S46 PolarHBondContact O-OG 3.44Å; Q44-S46 PolarHBondContact O-N 2.9Å; S46-M50 WeakPolarHBondContact O-CG 3.38Å |
| 47 | S | 42.5 | Very low | 42.5 | Very low | 70 Ų | 70 | 107.7 Ų | 107.7 | 49% | 0.49 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -75 | -36.1 | 176.1 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | S43 Q44 M50 A51 | S43-S47 PolarHBondContact O-N 3Å; S43-S47 VanDerWaalsContact O-N 3.14Å; S43-S47 PolarHBondContact O-OG 3.45Å; Q44-S47 PolarHBondContact O-N 3.33Å; S47-M50 PolarHBondContact O-N 2.99Å; S47-A51 PolarHBondContact O-N 3.47Å |
| 48 | T | 40.9 | Very low | 42.6 | Very low | 95 Ų | 95 | 110.1 Ų | 110.1 | 58% | 0.583 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.9 | -29.8 | 176.7 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | Q44 M50 | Q44-T48 PolarHBondContact O-N 3.08Å; Q44-T48 VanDerWaalsContact O-N 3.12Å; Q44-T48 PolarHBondContact O-OG1 3.04Å; T48-M50 VanDerWaalsContact C-N 3.28Å; T48-M50 PolarHBondContact O-N 3.25Å |
| 49 | V | 46.6 | Very low | 42.7 | Very low | 105 Ų | 105 | 108.5 Ų | 108.5 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.1 | -23.2 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 112 | R45 | R45-V49 WeakPolarHBondContact O-CG2 3.4Å; R45-V49 PolarHBondContact O-N 3.05Å |
| 50 | M | 44.9 | Very low | 42.6 | Very low | 153 Ų | 153 | 111.5 Ų | 111.5 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -86.6 | -20.5 | 179.3 | -63 | -66.3 | -175.4 | 0 | 0 | 113.7 | S46 S47 T48 | S46-M50 WeakPolarHBondContact O-CG 3.38Å; S47-M50 PolarHBondContact O-N 2.99Å; T48-M50 VanDerWaalsContact C-N 3.28Å; T48-M50 PolarHBondContact O-N 3.25Å |
| 51 | A | 39.9 | Very low | 41.9 | Very low | 80 Ų | 80 | 115.2 Ų | 115.2 | 66% | 0.661 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -80.4 | -16.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S47 | S47-A51 PolarHBondContact O-N 3.47Å |
| 52 | A | 39.1 | Very low | 41.4 | Very low | 92 Ų | 92 | 113.8 Ų | 113.8 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 2.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 53 | A | 42.2 | Very low | 41.6 | Very low | 92 Ų | 92 | 111.3 Ų | 111.3 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 19.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 54 | A | 40.2 | Very low | 40.9 | Very low | 75 Ų | 75 | 116.7 Ų | 116.7 | 62% | 0.62 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -117.8 | 107.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109 | P56 | A54-P56 WeakPolarHBondContact O-CD 3.22Š|
| 55 | T | 43.5 | Very low | 40.8 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | trans | -35.2 | 130.9 | 168.4 | 27 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 56 | P | 40 | Very low | 40.3 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | trans | -102 | 100 | 135.8 | 30.7 | -23.3 | 0 | 0 | 0 | 107.7 | A54 V58 | A54-P56 WeakPolarHBondContact O-CD 3.22Å; P56-V58 PolarHBondContact O-N 3.39Å; P56-V58 VanDerWaalsContact O-N 3.16Å | ||
| 57 | A | 35.7 | Very low | 40.4 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 117.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 58 | V | 42.7 | Very low | 40.7 | Very low | 129 Ų | 129 | 123 Ų | 123 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 146.8 | -180 | 171 | 0 | 0 | 0 | 0 | 111.1 | P56 | P56-V58 PolarHBondContact O-N 3.39Å; P56-V58 VanDerWaalsContact O-N 3.16Å |
| 59 | P | 42.8 | Very low | 40.7 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 148.3 | 179.4 | 28 | -34.1 | 0 | 0 | 0 | 113.6 | ||
| 60 | D | 43.6 | Very low | 40.9 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -22.5 | 114.8 | 164.9 | -151.7 | -66.8 | 0 | 0 | 0 | 116.6 | ||||
| 61 | K | 31.4 | Very low | 41.4 | Very low | 198 Ų | 198 | 123.3 Ų | 123.3 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | -170.3 | 113.6 | 128.9 | -138 | 158.4 | -178.2 | 166.4 | 0 | 112.4 | |||||
| 62 | A | 33.1 | Very low | 42 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | trans | -66.3 | -169.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 63 | P | 47.5 | Very low | 42.4 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | cis | -131.1 | 173.5 | -16.5 | 25.9 | -0.4 | 0 | 0 | 0 | 110.5 | ||||
| 64 | K | 32.2 | Very low | 42.6 | Very low | 187 Ų | 187 | 131.8 Ų | 131.8 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | 177.6 | 132 | 70.8 | -77.4 | 177.4 | -177.1 | 168.5 | 0 | 109.1 | |||||
| 65 | M | 41.5 | Very low | 43.5 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | 4.6 | 129 | 140 | -136.3 | 126.1 | 89.3 | 0 | 0 | 118.4 | ||||
| 66 | Q | 33 | Very low | 44 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | 154.6 | 116.8 | 122.5 | -89.1 | 158.6 | -64.4 | 0 | 0 | 113.5 | |||||
| 67 | A | 45.9 | Very low | 44.5 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | -83.3 | 141.8 | 134.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 68 | P | 47.7 | Very low | 45.3 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | -149.2 | 174.4 | 60.9 | 37.9 | -17.5 | 0 | 0 | 0 | 115.1 | |||||
| 69 | G | 40.4 | Very low | 45.9 | Very low | 67 Ų | 67 | 134.8 Ų | 134.8 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 100.1 | 135.4 | 146.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 70 | H | 52.5 | Low | 46.4 | Very low | 164 Ų | 164 | 135 Ų | 135 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -24.6 | 144.6 | 173.1 | 72.3 | -33.2 | 0 | 0 | 0 | 117 | ||||
| 71 | V | 55 | Low | 47 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | -158.6 | 152.5 | 114.6 | -90.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 72 | P | 52.6 | Low | 48.2 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | -82.1 | 160.2 | -160.6 | -15.2 | 35 | 0 | 0 | 0 | 115.5 | ||||
| 73 | F | 46.1 | Very low | 49.3 | Very low | 208 Ų | 208 | 133.4 Ų | 133.4 | 91% | 0.912 | 77% | 0.772 | S | S | * | * | trans | -24.1 | 117.7 | 176.4 | -56.7 | -88.5 | 0 | 0 | 0 | 117.8 | ||||
| 74 | D | 47.7 | Very low | 49.5 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | trans | -108.4 | 117.3 | 161.6 | -166.8 | -30.6 | 0 | 0 | 0 | 109.1 | S76 | D74-S76 PolarHBondContact O-N 3.5Š| ||
| 75 | P | 58.7 | Low | 50.4 | Low | 131 Ų | 131 | 132.6 Ų | 132.6 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 22.6 | -169.9 | 28 | -34.3 | 0 | 0 | 0 | 116.3 | ||
| 76 | S | 54.3 | Low | 50.8 | Low | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 2.5 | -177.6 | -51.7 | 0 | 0 | 0 | 0 | 114.9 | D74 | D74-S76 PolarHBondContact O-N 3.5Š|
| 77 | Q | 50.3 | Low | 51.9 | Low | 173 Ų | 173 | 128.6 Ų | 128.6 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -111.8 | 105.9 | 174.7 | -164.4 | 125.4 | -38.4 | 0 | 0 | 109.1 | P79 | Q77-P79 VanDerWaalsContact O-CD 3.28Å; Q77-P79 WeakPolarHBondContact O-CD 3.32Å |
| 78 | A | 51.7 | Low | 52.2 | Low | 85 Ų | 85 | 130.1 Ų | 130.1 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | -54.5 | 116.7 | 171 | 0 | 0 | 0 | 0 | 0 | 108.3 | V80 | A78-V80 PolarHBondContact O-N 3Å; A78-V80 VanDerWaalsContact O-N 3.12Å | ||
| 79 | P | 55.6 | Low | 52.4 | Low | 120 Ų | 120 | 132.7 Ų | 132.7 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -59.9 | 121.7 | -178.2 | 21.6 | -30.8 | 0 | 0 | 0 | 108.6 | Q77 I81 | Q77-P79 VanDerWaalsContact O-CD 3.28Å; Q77-P79 WeakPolarHBondContact O-CD 3.32Å; P79-I81 PolarHBondContact O-N 3.44Å | ||
| 80 | V | 53.2 | Low | 52.7 | Low | 124 Ų | 124 | 133.5 Ų | 133.5 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -54.8 | 109.3 | 172.1 | 166 | 0 | 0 | 0 | 0 | 107.5 | A78 E82 | A78-V80 PolarHBondContact O-N 3Å; A78-V80 VanDerWaalsContact O-N 3.12Å; V80-E82 VanDerWaalsContact C-N 3.35Å; V80-E82 PolarHBondContact O-N 3.43Å | ||
| 81 | I | 56.7 | Low | 52.2 | Low | 141 Ų | 141 | 132.6 Ų | 132.6 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | -48.7 | 98.8 | 155.9 | 36.2 | 164.3 | 0 | 0 | 0 | 108.7 | P79 G83 | P79-I81 PolarHBondContact O-N 3.44Å; I81-G83 PolarHBondContact O-N 3.01Å | ||
| 82 | E | 57.3 | Low | 51.9 | Low | 197 Ų | 197 | 133 Ų | 133 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 29.4 | 164.6 | -63.3 | -157.8 | 158 | 0 | 0 | 112.2 | V80 | V80-E82 VanDerWaalsContact C-N 3.35Å; V80-E82 PolarHBondContact O-N 3.43Å |
| 83 | G | 55.3 | Low | 51.6 | Low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 12.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I81 | I81-G83 PolarHBondContact O-N 3.01Š|
| 84 | F | 51.7 | Low | 51.8 | Low | 167 Ų | 167 | 127.4 Ų | 127.4 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -148.5 | 74.9 | -177.5 | -154.8 | -101.1 | 0 | 0 | 0 | 115.7 | ||
| 85 | T | 50.9 | Low | 51.9 | Low | 105 Ų | 105 | 126.9 Ų | 126.9 | 64% | 0.644 | 72% | 0.723 | S | S | * | * | trans | 68.3 | 144.7 | 143.3 | 69.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 86 | P | 50 | Low | 51.3 | Low | 126 Ų | 126 | 128.1 Ų | 128.1 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | -135.3 | 148.2 | 56.1 | 29.7 | -8.2 | 0 | 0 | 0 | 118.2 | T88 | P86-T88 PolarHBondContact O-N 3.41Š| |||
| 87 | I | 56.1 | Low | 51.1 | Low | 140 Ų | 140 | 129.9 Ų | 129.9 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | trans | -62.5 | 118.8 | 170.6 | -62.9 | 155.1 | 0 | 0 | 0 | 109.6 | ||||
| 88 | T | 51.6 | Low | 51.2 | Low | 128 Ų | 128 | 128 Ų | 128 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | 172.5 | 106.4 | 142.3 | 36.6 | 0 | 0 | 0 | 0 | 110.1 | P86 | P86-T88 PolarHBondContact O-N 3.41Š| ||
| 89 | L | 52.4 | Low | 51.2 | Low | 174 Ų | 174 | 127.8 Ų | 127.8 | 91% | 0.911 | 68% | 0.684 | S | S | * | * | S | Bend | -171.5 | -23.9 | 127.2 | -159.2 | 51.2 | 0 | 0 | 0 | 114.8 | |||
| 90 | A | 46.3 | Very low | 50.8 | Low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | trans | -109.4 | 36.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N92 | A90-N92 VanDerWaalsContact C-N 3.31Å; A90-N92 PolarHBondContact O-N 2.96Å | ||
| 91 | K | 43.3 | Very low | 50.7 | Low | 144 Ų | 144 | 132 Ų | 132 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 43.2 | -174.2 | -155.8 | -173.1 | 178.1 | 178.3 | 0 | 113.4 | F95 | K91-F95 HydrophobicContact CD-CE2 4.04Å; K91-F95 VanDerWaalsContact CE-CZ 3.47Å; K91-F95 HydrophobicContact CG-CD2 3.98Å; K91-F95 HydrophobicContact CG-CE2 3.42Å; K91-F95 VanDerWaalsContact CG-CE2 3.42Å; K91-F95 HydrophobicContact CG-CZ 4.37Å |
| 92 | N | 47.6 | Very low | 50.3 | Low | 136 Ų | 136 | 131.1 Ų | 131.1 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | -25.8 | 168.5 | -96.3 | -62.9 | 0 | 0 | 0 | 114 | A90 | A90-N92 VanDerWaalsContact C-N 3.31Å; A90-N92 PolarHBondContact O-N 2.96Å |
| 93 | E | 47.6 | Very low | 49.9 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.1 | -26.6 | 179.9 | -58.6 | -60.4 | 134.4 | 0 | 0 | 113 | ||
| 94 | S | 50.5 | Low | 49.5 | Very low | 46 Ų | 46 | 131.6 Ų | 131.6 | 32% | 0.322 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -88.5 | -23.9 | -174.7 | -155.1 | 0 | 0 | 0 | 0 | 114.9 | K98 | S94-K98 WeakPolarHBondContact O-CB 3.35Å; S94-K98 WeakPolarHBondContact O-CD 3.44Å; S94-K98 WeakPolarHBondContact O-CG 3.34Å; S94-K98 PolarHBondContact O-N 3.12Å; S94-K98 WeakPolarHBondContact OG-CD 3.39Å; S94-K98 WeakPolarHBondContact OG-CE 3.32Å; S94-K98 PolarHBondContact OG-NZ 3.31Å |
| 95 | F | 49.3 | Very low | 49.6 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 50% | 0.504 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -78.2 | -43.8 | -172.3 | -82.5 | -90.1 | 0 | 0 | 0 | 112.4 | K91 F99 | K91-F95 HydrophobicContact CD-CE2 4.04Å; K91-F95 VanDerWaalsContact CE-CZ 3.47Å; K91-F95 HydrophobicContact CG-CD2 3.98Å; K91-F95 HydrophobicContact CG-CE2 3.42Å; K91-F95 VanDerWaalsContact CG-CE2 3.42Å; K91-F95 HydrophobicContact CG-CZ 4.37Å; F95-F99 VanDerWaalsContact O-CB 3.23Å; F95-F99 WeakPolarHBondContact O-CB 3.41Å; F95-F99 PolarHBondContact O-N 3.13Å |
| 96 | K | 45.9 | Very low | 49.2 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 68% | 0.683 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.7 | -37.5 | -176.4 | -156.6 | 168.9 | -179.8 | -76.9 | 0 | 111.8 | F99 M100 | K96-F99 PolarHBondContact O-N 2.9Å; K96-M100 WeakPolarHBondContact O-CB 3.25Å; K96-M100 PolarHBondContact O-N 3.48Å |
| 97 | E | 50.7 | Low | 49.1 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 67% | 0.668 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73.1 | -38.8 | 178.3 | -153.1 | 174.3 | -162.8 | 0 | 0 | 111.8 | R101 | E97-R101 PolarHBondContact O-N 3Å |
| 98 | K | 51.7 | Low | 48.7 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 59% | 0.587 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.1 | -34 | 169.1 | -71 | 175.4 | 174.7 | 163.9 | 0 | 112.4 | S94 K102 | S94-K98 WeakPolarHBondContact O-CB 3.35Å; S94-K98 WeakPolarHBondContact O-CD 3.44Å; S94-K98 WeakPolarHBondContact O-CG 3.34Å; S94-K98 PolarHBondContact O-N 3.12Å; S94-K98 WeakPolarHBondContact OG-CD 3.39Å; S94-K98 WeakPolarHBondContact OG-CE 3.32Å; S94-K98 PolarHBondContact OG-NZ 3.31Å; K98-K102 WeakPolarHBondContact O-CB 3.11Å; K98-K102 PolarHBondContact O-N 3.37Å |
| 99 | F | 51.7 | Low | 48.5 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 35% | 0.346 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.1 | -45.4 | 174.5 | -118.2 | -102.6 | 0 | 0 | 0 | 111.9 | F95 K96 R101 K102 T103 P110 C113 | F95-F99 VanDerWaalsContact O-CB 3.23Å; F95-F99 WeakPolarHBondContact O-CB 3.41Å; F95-F99 PolarHBondContact O-N 3.13Å; K96-F99 PolarHBondContact O-N 2.9Å; F99-R101 VanDerWaalsContact C-N 3.27Å; F99-R101 PolarHBondContact O-N 3.14Å; F99-K102 PolarHBondContact O-N 3Å; F99-T103 WeakPolarHBondContact O-CB 3.22Å; F99-T103 PolarHBondContact O-N 3.48Å; F99-T103 PolarHBondContact O-OG1 3.45Å; F99-P110 HydrophobicContact CE1-CB 4.24Å; F99-C113 HydrophobicContact CE1-CB 3.91Å; F99-C113 HydrophobicContact CZ-CB 3.79Å |
| 100 | M | 46.4 | Very low | 48.1 | Very low | 133 Ų | 133 | 115.1 Ų | 115.1 | 66% | 0.655 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.1 | -36.8 | 178.1 | -89.2 | 169.2 | 54.9 | 0 | 0 | 112 | K96 | K96-M100 WeakPolarHBondContact O-CB 3.25Å; K96-M100 PolarHBondContact O-N 3.48Å |
| 101 | R | 52.3 | Low | 48.4 | Very low | 201 Ų | 201 | 115.6 Ų | 115.6 | 76% | 0.758 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -75.4 | -36.4 | 177.5 | -146.5 | 171.2 | 163.9 | -172 | -5.5 | 112.6 | E97 F99 | E97-R101 PolarHBondContact O-N 3Å; F99-R101 VanDerWaalsContact C-N 3.27Å; F99-R101 PolarHBondContact O-N 3.14Å |
| 102 | K | 48.1 | Very low | 48.7 | Very low | 121 Ų | 121 | 110.4 Ų | 110.4 | 53% | 0.526 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.4 | -26.8 | 172.6 | -112.9 | 83 | -176.6 | -175 | 0 | 113.8 | K98 F99 K104 E105 N106 | K98-K102 WeakPolarHBondContact O-CB 3.11Å; K98-K102 PolarHBondContact O-N 3.37Å; F99-K102 PolarHBondContact O-N 3Å; K102-K104 PolarHBondContact O-N 3.32Å; K102-E105 PolarHBondContact O-N 3.12Å; K102-N106 PolarHBondContact O-N 3.3Å |
| 103 | T | 48.4 | Very low | 48.7 | Very low | 73 Ų | 73 | 106.9 Ų | 106.9 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -25.8 | 179.1 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | F99 P110 | F99-T103 WeakPolarHBondContact O-CB 3.22Å; F99-T103 PolarHBondContact O-N 3.48Å; F99-T103 PolarHBondContact O-OG1 3.45Å; T103-P110 HydrophobicContact CG2-CG 4.27Å |
| 104 | K | 47.3 | Very low | 48.9 | Very low | 201 Ų | 201 | 102.7 Ų | 102.7 | 87% | 0.874 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -86.8 | -23.6 | 178.2 | -120 | -179.8 | 177.7 | -174.4 | 0 | 114.1 | K102 | K102-K104 PolarHBondContact O-N 3.32Å |
| 105 | E | 53.3 | Low | 49 | Very low | 138 Ų | 138 | 103.1 Ų | 103.1 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -102 | -26.5 | -176.6 | -74 | 178 | 172.7 | 0 | 0 | 114 | K102 | K102-E105 PolarHBondContact O-N 3.12Å |
| 106 | N | 42.9 | Very low | 49.2 | Very low | 78 Ų | 78 | 101.6 Ų | 101.6 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | trans | -144.5 | 99.9 | -175.8 | -75.7 | -79.6 | 0 | 0 | 0 | 112.2 | K102 F108 P110 | K102-N106 PolarHBondContact O-N 3.3Å; N106-F108 PolarHBondContact O-N 3.16Å; N106-P110 VanDerWaalsContact O-CD 3.25Å; N106-P110 WeakPolarHBondContact O-CD 3.39Å | ||
| 107 | P | 47.5 | Very low | 49.4 | Very low | 61 Ų | 61 | 96.2 Ų | 96.2 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.7 | -175.8 | 26.4 | -34.3 | 0 | 0 | 0 | 114.2 | V109 P110 I111 | P107-V109 PolarHBondContact O-N 3.45Å; P107-P110 WeakPolarHBondContact O-CD 3.31Å; P107-I111 VanDerWaalsContact O-CD1 3.29Å; P107-I111 WeakPolarHBondContact O-CD1 3.44Å; P107-I111 WeakPolarHBondContact O-CG1 3.47Å |
| 108 | F | 48.7 | Very low | 49.3 | Very low | 109 Ų | 109 | 91.3 Ų | 91.3 | 48% | 0.478 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.4 | -27.1 | -175.1 | -60.1 | -56.4 | 0 | 0 | 0 | 114.6 | N106 G112 T160 | N106-F108 PolarHBondContact O-N 3.16Å; F108-G112 PolarHBondContact O-N 3.19Å; F108-T160 HydrophobicContact CD1-CG2 3.91Å; F108-T160 WeakPolarHBondContact CD1-OG1 3.35Å; F108-T160 HydrophobicContact CE1-CG2 3.14Å; F108-T160 WeakPolarHBondContact CE1-OG1 3.1Å; F108-T160 HydrophobicContact CE2-CG2 4.28Å; F108-T160 HydrophobicContact CZ-CG2 3.33Å |
| 109 | V | 45.8 | Very low | 49.3 | Very low | 82 Ų | 82 | 86.3 Ų | 86.3 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -79.9 | -48.2 | -174.9 | -176.9 | 0 | 0 | 0 | 0 | 113.5 | P107 I111 G112 C113 | P107-V109 PolarHBondContact O-N 3.45Å; V109-I111 VanDerWaalsContact C-N 3.34Å; V109-I111 PolarHBondContact O-N 3.47Å; V109-G112 PolarHBondContact O-N 3.42Å; V109-C113 PolarHBondContact O-N 3.41Å |
| 110 | P | 45.5 | Very low | 49.3 | Very low | 27 Ų | 27 | 88.2 Ų | 88.2 | 18% | 0.175 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -70.7 | -28.5 | 179.3 | 26.9 | -34.2 | 0 | 0 | 0 | 113.1 | F99 T103 N106 P107 C113 A114 | F99-P110 HydrophobicContact CE1-CB 4.24Å; T103-P110 HydrophobicContact CG2-CG 4.27Å; N106-P110 VanDerWaalsContact O-CD 3.25Å; N106-P110 WeakPolarHBondContact O-CD 3.39Å; P107-P110 WeakPolarHBondContact O-CD 3.31Å; P110-C113 PolarHBondContact O-N 3.34Å; P110-A114 WeakPolarHBondContact O-CB 3.31Å; P110-A114 PolarHBondContact O-N 3.39Å |
| 111 | I | 51.4 | Low | 49.4 | Very low | 94 Ų | 94 | 87 Ų | 87 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 175.5 | -74 | 171 | 0 | 0 | 0 | 111 | P107 V109 C113 A114 A115 | P107-I111 VanDerWaalsContact O-CD1 3.29Å; P107-I111 WeakPolarHBondContact O-CD1 3.44Å; P107-I111 WeakPolarHBondContact O-CG1 3.47Å; V109-I111 VanDerWaalsContact C-N 3.34Å; V109-I111 PolarHBondContact O-N 3.47Å; I111-C113 VanDerWaalsContact C-N 3.28Å; I111-C113 PolarHBondContact O-N 3.17Å; I111-A114 PolarHBondContact O-N 3.28Å; I111-A115 VanDerWaalsContact O-CB 3.31Å; I111-A115 WeakPolarHBondContact O-CB 3.43Å; I111-A115 PolarHBondContact O-N 2.97Å |
| 112 | G | 49.5 | Very low | 49 | Very low | 35 Ų | 35 | 85.1 Ų | 85.1 | 36% | 0.361 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -36.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F108 V109 T116 | F108-G112 PolarHBondContact O-N 3.19Å; V109-G112 PolarHBondContact O-N 3.42Å; G112-T116 WeakPolarHBondContact O-CB 3.46Å; G112-T116 PolarHBondContact O-N 3.43Å; G112-T116 PolarHBondContact O-OG1 3.4Å |
| 113 | C | 48.8 | Very low | 49 | Very low | 63 Ų | 63 | 81.5 Ų | 81.5 | 43% | 0.426 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.2 | -42.7 | 178.4 | -158.2 | 0 | 0 | 0 | 0 | 112.8 | F99 V109 P110 I111 T116 A117 | F99-C113 HydrophobicContact CE1-CB 3.91Å; F99-C113 HydrophobicContact CZ-CB 3.79Å; V109-C113 PolarHBondContact O-N 3.41Å; P110-C113 PolarHBondContact O-N 3.34Å; I111-C113 VanDerWaalsContact C-N 3.28Å; I111-C113 PolarHBondContact O-N 3.17Å; C113-T116 WeakPolarHBondContact O-CB 3.39Å; C113-T116 PolarHBondContact O-N 2.99Å; C113-A117 PolarHBondContact O-N 3.07Å |
| 114 | A | 51.1 | Low | 48.8 | Very low | 66 Ų | 66 | 83.8 Ų | 83.8 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P110 I111 T116 A117 G118 | P110-A114 WeakPolarHBondContact O-CB 3.31Å; P110-A114 PolarHBondContact O-N 3.39Å; I111-A114 PolarHBondContact O-N 3.28Å; A114-T116 VanDerWaalsContact C-N 3.31Å; A114-T116 PolarHBondContact O-N 3.05Å; A114-A117 PolarHBondContact O-N 3.42Å; A114-G118 PolarHBondContact O-N 3.48Å |
| 115 | A | 52.7 | Low | 48.5 | Very low | 54 Ų | 54 | 83.2 Ų | 83.2 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I111 G118 A119 | I111-A115 VanDerWaalsContact O-CB 3.31Å; I111-A115 WeakPolarHBondContact O-CB 3.43Å; I111-A115 PolarHBondContact O-N 2.97Å; A115-G118 PolarHBondContact O-N 3.14Å; A115-A119 WeakPolarHBondContact O-CB 3.25Å; A115-A119 PolarHBondContact O-N 2.96Å |
| 116 | T | 54 | Low | 48.1 | Very low | 83 Ų | 83 | 79.8 Ų | 79.8 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175.5 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | G112 C113 A114 A119 L120 | G112-T116 WeakPolarHBondContact O-CB 3.46Å; G112-T116 PolarHBondContact O-N 3.43Å; G112-T116 PolarHBondContact O-OG1 3.4Å; C113-T116 WeakPolarHBondContact O-CB 3.39Å; C113-T116 PolarHBondContact O-N 2.99Å; A114-T116 VanDerWaalsContact C-N 3.31Å; A114-T116 PolarHBondContact O-N 3.05Å; T116-A119 WeakPolarHBondContact O-CB 3.08Å; T116-A119 PolarHBondContact O-N 2.91Å; T116-L120 HydrophobicContact CG2-CD1 4.08Å; T116-L120 WeakPolarHBondContact O-CD1 3.2Å; T116-L120 VanDerWaalsContact O-CG 3.32Å; T116-L120 WeakPolarHBondContact O-CG 3.33Å; T116-L120 PolarHBondContact O-N 3.3Å; T116-L120 VanDerWaalsContact O-N 3.12Å |
| 117 | A | 49.5 | Very low | 48.1 | Very low | 45 Ų | 45 | 84.2 Ų | 84.2 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C113 A114 L120 I121 | C113-A117 PolarHBondContact O-N 3.07Å; A114-A117 PolarHBondContact O-N 3.42Å; A117-L120 PolarHBondContact O-N 3.48Å; A117-I121 WeakPolarHBondContact O-CB 3.37Å; A117-I121 WeakPolarHBondContact O-CD1 3.34Å; A117-I121 WeakPolarHBondContact O-CG1 3.37Å; A117-I121 PolarHBondContact O-N 3.01Å |
| 118 | G | 48.8 | Very low | 47.8 | Very low | 39 Ų | 39 | 89.7 Ų | 89.7 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | A114 A115 I121 Y122 | A114-G118 PolarHBondContact O-N 3.48Å; A115-G118 PolarHBondContact O-N 3.14Å; G118-I121 PolarHBondContact O-N 3.46Å; G118-Y122 WeakPolarHBondContact O-CB 3.44Å; G118-Y122 PolarHBondContact O-N 2.96Å |
| 119 | A | 50.6 | Low | 47.5 | Very low | 30 Ų | 30 | 92.9 Ų | 92.9 | 25% | 0.248 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -57.6 | -47.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A115 T116 G123 F148 | A115-A119 WeakPolarHBondContact O-CB 3.25Å; A115-A119 PolarHBondContact O-N 2.96Å; T116-A119 WeakPolarHBondContact O-CB 3.08Å; T116-A119 PolarHBondContact O-N 2.91Å; A119-G123 PolarHBondContact O-N 3.31Å; A119-F148 HydrophobicContact CB-CD1 4.46Å; A119-F148 HydrophobicContact CB-CE1 3.24Å; A119-F148 HydrophobicContact CB-CE2 4.5Å; A119-F148 HydrophobicContact CB-CZ 3.27Å |
| 120 | L | 52.5 | Low | 47.3 | Very low | 120 Ų | 120 | 90.6 Ų | 90.6 | 63% | 0.628 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.2 | -43.2 | -179.8 | -73.1 | 161.4 | 0 | 0 | 0 | 111.6 | T116 A117 G123 L124 | T116-L120 HydrophobicContact CG2-CD1 4.08Å; T116-L120 WeakPolarHBondContact O-CD1 3.2Å; T116-L120 VanDerWaalsContact O-CG 3.32Å; T116-L120 WeakPolarHBondContact O-CG 3.33Å; T116-L120 PolarHBondContact O-N 3.3Å; T116-L120 VanDerWaalsContact O-N 3.12Å; A117-L120 PolarHBondContact O-N 3.48Å; L120-G123 PolarHBondContact O-N 2.91Å; L120-L124 VanDerWaalsContact O-CB 3.29Å; L120-L124 WeakPolarHBondContact O-CB 3.29Å; L120-L124 PolarHBondContact O-N 2.94Å |
| 121 | I | 48.7 | Very low | 47.4 | Very low | 108 Ų | 108 | 98.4 Ų | 98.4 | 55% | 0.554 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.6 | -40.5 | 179.8 | -68.2 | 161.8 | 0 | 0 | 0 | 111.5 | A117 G118 L124 R125 | A117-I121 WeakPolarHBondContact O-CB 3.37Å; A117-I121 WeakPolarHBondContact O-CD1 3.34Å; A117-I121 WeakPolarHBondContact O-CG1 3.37Å; A117-I121 PolarHBondContact O-N 3.01Å; G118-I121 PolarHBondContact O-N 3.46Å; I121-L124 PolarHBondContact O-N 3.28Å; I121-R125 WeakPolarHBondContact O-CB 3.33Å; I121-R125 PolarHBondContact O-N 2.9Å |
| 122 | Y | 44.6 | Very low | 47 | Very low | 161 Ų | 161 | 100.8 Ų | 100.8 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.5 | -39.1 | 177.8 | -155.1 | -92.3 | 0 | 0 | 0 | 111.8 | G118 R125 A126 | G118-Y122 WeakPolarHBondContact O-CB 3.44Å; G118-Y122 PolarHBondContact O-N 2.96Å; Y122-R125 PolarHBondContact O-N 3.46Å; Y122-A126 PolarHBondContact O-N 3.2Å; Y122-A126 VanDerWaalsContact O-N 3.09Å |
| 123 | G | 46.9 | Very low | 46.7 | Very low | 44 Ų | 44 | 109.8 Ų | 109.8 | 45% | 0.454 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.5 | -39.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A119 L120 A126 F127 | A119-G123 PolarHBondContact O-N 3.31Å; L120-G123 PolarHBondContact O-N 2.91Å; G123-A126 PolarHBondContact O-N 3.33Å; G123-F127 PolarHBondContact O-N 3.03Å; G123-F127 VanDerWaalsContact O-N 3.1Å |
| 124 | L | 44.1 | Very low | 46.4 | Very low | 122 Ų | 122 | 110.7 Ų | 110.7 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72 | -36.7 | 177.4 | -164.9 | 65.9 | 0 | 0 | 0 | 112.4 | L120 I121 A126 F127 H128 | L120-L124 VanDerWaalsContact O-CB 3.29Å; L120-L124 WeakPolarHBondContact O-CB 3.29Å; L120-L124 PolarHBondContact O-N 2.94Å; I121-L124 PolarHBondContact O-N 3.28Å; L124-A126 VanDerWaalsContact C-N 3.31Å; L124-A126 PolarHBondContact O-N 2.68Å; L124-F127 WeakPolarHBondContact O-CB 3.39Å; L124-F127 PolarHBondContact O-N 2.82Å; L124-H128 PolarHBondContact O-N 3.41Å |
| 125 | R | 42.1 | Very low | 45.9 | Very low | 188 Ų | 188 | 112.1 Ų | 112.1 | 71% | 0.709 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.8 | -37.8 | 171.9 | -107.5 | -173.9 | 170.6 | -171.3 | -1.6 | 112.5 | I121 Y122 F127 H128 | I121-R125 WeakPolarHBondContact O-CB 3.33Å; I121-R125 PolarHBondContact O-N 2.9Å; Y122-R125 PolarHBondContact O-N 3.46Å; R125-F127 VanDerWaalsContact C-N 3.35Å; R125-H128 PolarHBondContact O-N 3.3Å |
| 126 | A | 43.8 | Very low | 45 | Very low | 66 Ų | 66 | 117.8 Ų | 117.8 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.6 | -31.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y122 G123 L124 H128 | Y122-A126 PolarHBondContact O-N 3.2Å; Y122-A126 VanDerWaalsContact O-N 3.09Å; G123-A126 PolarHBondContact O-N 3.33Å; L124-A126 VanDerWaalsContact C-N 3.31Å; L124-A126 PolarHBondContact O-N 2.68Å; A126-H128 VanDerWaalsContact C-N 3.27Å; A126-H128 PolarHBondContact O-N 3.03Å |
| 127 | F | 43.3 | Very low | 44.4 | Very low | 171 Ų | 171 | 119.8 Ų | 119.8 | 75% | 0.75 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.4 | -28.1 | 175.1 | -155.6 | -98 | 0 | 0 | 0 | 112.6 | G123 L124 R125 Q129 | G123-F127 PolarHBondContact O-N 3.03Å; G123-F127 VanDerWaalsContact O-N 3.1Å; L124-F127 WeakPolarHBondContact O-CB 3.39Å; L124-F127 PolarHBondContact O-N 2.82Å; R125-F127 VanDerWaalsContact C-N 3.35Å; F127-Q129 VanDerWaalsContact C-N 3.3Å; F127-Q129 PolarHBondContact O-N 3.39Å |
| 128 | H | 42.2 | Very low | 44.1 | Very low | 176 Ų | 176 | 123.4 Ų | 123.4 | 82% | 0.815 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -3.8 | -175.3 | -145 | 74.1 | 0 | 0 | 0 | 114.8 | L124 R125 A126 | L124-H128 PolarHBondContact O-N 3.41Å; R125-H128 PolarHBondContact O-N 3.3Å; A126-H128 VanDerWaalsContact C-N 3.27Å; A126-H128 PolarHBondContact O-N 3.03Å |
| 129 | Q | 41.8 | Very low | 43.8 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 83% | 0.827 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -5.4 | -171 | -72.9 | -168.5 | 5.6 | 0 | 0 | 117.7 | F127 | F127-Q129 VanDerWaalsContact C-N 3.3Å; F127-Q129 PolarHBondContact O-N 3.39Å |
| 130 | G | 41.8 | Very low | 43.3 | Very low | 34 Ų | 34 | 136.8 Ų | 136.8 | 35% | 0.351 | 67% | 0.672 | S | S | . | * | trans | -110.3 | 101.2 | -162.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | Q134 | G130-Q134 WeakPolarHBondContact O-CG 3.4Å; G130-Q134 PolarHBondContact O-NE2 3.49Å; G130-Q134 PolarHBondContact O-OE1 3.29Å | ||
| 131 | K | 47.2 | Very low | 42.9 | Very low | 190 Ų | 190 | 133 Ų | 133 | 83% | 0.826 | 66% | 0.662 | S | S | * | * | trans | -81.9 | 129 | 159.1 | -80.2 | 174 | 173.7 | 166.5 | 0 | 110.6 | R133 | K131-R133 PolarHBondContact O-N 2.95Š| ||
| 132 | T | 43.2 | Very low | 42.7 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 89% | 0.89 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 33.2 | -15.6 | 158 | 63.3 | 0 | 0 | 0 | 0 | 123.2 | Q134 | T132-Q134 PolarHBondContact O-N 3.5Š|
| 133 | R | 42.6 | Very low | 42.8 | Very low | 223 Ų | 223 | 129.9 Ų | 129.9 | 84% | 0.842 | 65% | 0.648 | S | S | * | * | trans | -83.3 | 18.8 | 164.2 | -148.5 | -176 | -172.4 | -128.8 | 3.4 | 112 | K131 | K131-R133 PolarHBondContact O-N 2.95Š| ||
| 134 | Q | 42.1 | Very low | 42.6 | Very low | 82 Ų | 82 | 135 Ų | 135 | 38% | 0.383 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -80.4 | -19.1 | -167.4 | -77.1 | -159.8 | -55 | 0 | 0 | 114.9 | G130 T132 Q136 L137 L138 | G130-Q134 WeakPolarHBondContact O-CG 3.4Å; G130-Q134 PolarHBondContact O-NE2 3.49Å; G130-Q134 PolarHBondContact O-OE1 3.29Å; T132-Q134 PolarHBondContact O-N 3.5Å; Q134-Q136 VanDerWaalsContact C-N 3.31Å; Q134-Q136 PolarHBondContact O-N 3.08Å; Q134-L137 PolarHBondContact O-N 2.96Å; Q134-L138 VanDerWaalsContact O-CG 3.29Å; Q134-L138 WeakPolarHBondContact O-CG 3.23Å; Q134-L138 PolarHBondContact O-N 3.21Å |
| 135 | S | 41.4 | Very low | 42.6 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.4 | -31.4 | -174.8 | -157.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 136 | Q | 33.3 | Very low | 42.6 | Very low | 173 Ų | 173 | 125.4 Ų | 125.4 | 81% | 0.808 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -85.4 | -25.5 | 176.6 | -66.5 | -158.9 | 5.8 | 0 | 0 | 114.1 | Q134 L138 M139 | Q134-Q136 VanDerWaalsContact C-N 3.31Å; Q134-Q136 PolarHBondContact O-N 3.08Å; Q136-L138 VanDerWaalsContact C-N 3.32Å; Q136-M139 PolarHBondContact O-N 3.2Å |
| 137 | L | 42.6 | Very low | 42.6 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 65% | 0.654 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.1 | -28 | 175 | -88.6 | 156.5 | 0 | 0 | 0 | 112.1 | Q134 M139 R140 G141 | Q134-L137 PolarHBondContact O-N 2.96Å; L137-M139 PolarHBondContact O-N 3.48Å; L137-R140 PolarHBondContact O-N 3.14Å; L137-G141 PolarHBondContact O-N 3.34Å; L137-G141 VanDerWaalsContact O-N 3.13Å |
| 138 | L | 42.9 | Very low | 42.6 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 63% | 0.628 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.2 | -18.8 | 175.3 | -70.6 | 167.3 | 0 | 0 | 0 | 113.6 | Q134 Q136 | Q134-L138 VanDerWaalsContact O-CG 3.29Å; Q134-L138 WeakPolarHBondContact O-CG 3.23Å; Q134-L138 PolarHBondContact O-N 3.21Å; Q136-L138 VanDerWaalsContact C-N 3.32Å |
| 139 | M | 41.2 | Very low | 42.9 | Very low | 149 Ų | 149 | 116.2 Ų | 116.2 | 73% | 0.734 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -84 | -33.4 | 176.7 | -68.3 | -135.4 | 174.5 | 0 | 0 | 113.4 | Q136 L137 | Q136-M139 PolarHBondContact O-N 3.2Å; L137-M139 PolarHBondContact O-N 3.48Å |
| 140 | R | 40.1 | Very low | 43.2 | Very low | 202 Ų | 202 | 111 Ų | 111 | 76% | 0.762 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -82.9 | -20.8 | 174 | -80.1 | -176.6 | 173 | 164.6 | -1.7 | 113.7 | L137 R142 I143 F144 | L137-R140 PolarHBondContact O-N 3.14Å; R140-R142 PolarHBondContact O-N 3.48Å; R140-R142 VanDerWaalsContact O-N 3.15Å; R140-I143 PolarHBondContact O-N 3.4Å; R140-F144 PolarHBondContact O-N 3.44Å |
| 141 | G | 44.8 | Very low | 43.5 | Very low | 40 Ų | 40 | 116.1 Ų | 116.1 | 41% | 0.412 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.1 | -25.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | L137 A145 | L137-G141 PolarHBondContact O-N 3.34Å; L137-G141 VanDerWaalsContact O-N 3.13Å; G141-A145 PolarHBondContact O-N 3.47Å; G141-A145 VanDerWaalsContact O-N 3.1Å |
| 142 | R | 44.1 | Very low | 43.4 | Very low | 110 Ų | 110 | 109.4 Ų | 109.4 | 42% | 0.415 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -74.4 | -37.3 | 177.5 | -62.9 | -172.9 | -177.8 | -90.4 | 2.8 | 113.6 | R140 F144 A145 Q146 | R140-R142 PolarHBondContact O-N 3.48Å; R140-R142 VanDerWaalsContact O-N 3.15Å; R142-F144 VanDerWaalsContact C-N 3.29Å; R142-F144 PolarHBondContact O-N 2.71Å; R142-A145 PolarHBondContact O-N 3.31Å; R142-Q146 PolarHBondContact O-N 3.23Å |
| 143 | I | 46.6 | Very low | 43.9 | Very low | 93 Ų | 93 | 107.5 Ų | 107.5 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | 173.8 | -77.8 | 79 | 0 | 0 | 0 | 110.5 | L25 R140 G147 | L25-I143 HydrophobicContact CD2-CD1 4.03Å; L25-I143 HydrophobicContact CD2-CG1 4.12Å; R140-I143 PolarHBondContact O-N 3.4Å; I143-G147 PolarHBondContact O-N 2.82Å |
| 144 | F | 44.2 | Very low | 44.1 | Very low | 152 Ų | 152 | 101.6 Ų | 101.6 | 67% | 0.667 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 173.5 | -116.9 | -91.7 | 0 | 0 | 0 | 112.1 | R140 R142 F148 | R140-F144 PolarHBondContact O-N 3.44Å; R142-F144 VanDerWaalsContact C-N 3.29Å; R142-F144 PolarHBondContact O-N 2.71Å; F144-F148 WeakPolarHBondContact O-CB 2.92Å; F144-F148 PolarHBondContact O-N 3.27Å; F144-F148 VanDerWaalsContact O-N 3.08Å |
| 145 | A | 42.8 | Very low | 44.3 | Very low | 60 Ų | 60 | 101.2 Ų | 101.2 | 50% | 0.496 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68 | -36.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | G141 R142 T149 | G141-A145 PolarHBondContact O-N 3.47Å; G141-A145 VanDerWaalsContact O-N 3.1Å; R142-A145 PolarHBondContact O-N 3.31Å; A145-T149 PolarHBondContact O-N 2.94Å; A145-T149 PolarHBondContact O-OG1 3.37Å |
| 146 | Q | 42.1 | Very low | 44.6 | Very low | 48 Ų | 48 | 98 Ų | 98 | 22% | 0.224 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -72.4 | -40.9 | 176.9 | -107.1 | 173.4 | -42.8 | 0 | 0 | 113.2 | L25 R142 F148 T149 | L25-Q146 VanDerWaalsContact CD1-OE1 3.22Å; R142-Q146 PolarHBondContact O-N 3.23Å; Q146-F148 VanDerWaalsContact C-N 3.28Å; Q146-F148 PolarHBondContact O-N 3.19Å; Q146-T149 PolarHBondContact O-OG1 3.11Å |
| 147 | G | 43.8 | Very low | 45.4 | Very low | 41 Ų | 41 | 94.6 Ų | 94.6 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.9 | -30.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I143 F151 | I143-G147 PolarHBondContact O-N 2.82Å; G147-F151 VanDerWaalsContact O-CB 3.25Å; G147-F151 WeakPolarHBondContact O-CB 3.49Å; G147-F151 PolarHBondContact O-N 2.6Å |
| 148 | F | 43.5 | Very low | 45.5 | Very low | 99 Ų | 99 | 95.2 Ų | 95.2 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.8 | -38.2 | -178.9 | -172.9 | -95.5 | 0 | 0 | 0 | 113.3 | A119 F144 Q146 A152 | A119-F148 HydrophobicContact CB-CD1 4.46Å; A119-F148 HydrophobicContact CB-CE1 3.24Å; A119-F148 HydrophobicContact CB-CE2 4.5Å; A119-F148 HydrophobicContact CB-CZ 3.27Å; F144-F148 WeakPolarHBondContact O-CB 2.92Å; F144-F148 PolarHBondContact O-N 3.27Å; F144-F148 VanDerWaalsContact O-N 3.08Å; Q146-F148 VanDerWaalsContact C-N 3.28Å; Q146-F148 PolarHBondContact O-N 3.19Å; F148-A152 WeakPolarHBondContact O-CB 3.43Å; F148-A152 PolarHBondContact O-N 3.28Å |
| 149 | T | 49.1 | Very low | 45.7 | Very low | 80 Ų | 80 | 92.3 Ų | 92.3 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 177.1 | 9.2 | 0 | 0 | 0 | 0 | 112.7 | A145 Q146 A152 I153 | A145-T149 PolarHBondContact O-N 2.94Å; A145-T149 PolarHBondContact O-OG1 3.37Å; Q146-T149 PolarHBondContact O-OG1 3.11Å; T149-A152 PolarHBondContact O-N 2.63Å; T149-I153 WeakPolarHBondContact O-CG1 3.35Å; T149-I153 PolarHBondContact O-N 2.83Å |
| 150 | V | 47.8 | Very low | 45.9 | Very low | 68 Ų | 68 | 88 Ų | 88 | 41% | 0.412 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 177.9 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | I153 I154 | V150-I153 PolarHBondContact O-N 3.29Å; V150-I154 HydrophobicContact CG1-CD1 3.84Å; V150-I154 WeakPolarHBondContact O-CG1 3.5Å; V150-I154 PolarHBondContact O-N 3.24Å; V150-I154 VanDerWaalsContact O-N 3.08Å |
| 151 | F | 47.6 | Very low | 45.9 | Very low | 142 Ų | 142 | 82.4 Ų | 82.4 | 62% | 0.623 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.7 | -39.1 | 173.9 | -166.8 | -97.2 | 0 | 0 | 0 | 112.4 | G147 I153 V155 | G147-F151 VanDerWaalsContact O-CB 3.25Å; G147-F151 WeakPolarHBondContact O-CB 3.49Å; G147-F151 PolarHBondContact O-N 2.6Å; F151-I153 VanDerWaalsContact C-N 3.29Å; F151-I153 PolarHBondContact O-N 3.21Å; F151-V155 HydrophobicContact CD1-CG2 4.06Å; F151-V155 HydrophobicContact CE1-CG2 3.79Å; F151-V155 HydrophobicContact CE2-CG2 4.45Å; F151-V155 HydrophobicContact CZ-CG2 4Å; F151-V155 WeakPolarHBondContact O-CB 3.4Å; F151-V155 VanDerWaalsContact O-CG2 3.32Å; F151-V155 WeakPolarHBondContact O-CG2 3.25Å; F151-V155 PolarHBondContact O-N 3.46Å |
| 152 | A | 45.8 | Very low | 45.8 | Very low | 48 Ų | 48 | 85.9 Ų | 85.9 | 40% | 0.397 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -32.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F148 T149 G156 | F148-A152 WeakPolarHBondContact O-CB 3.43Å; F148-A152 PolarHBondContact O-N 3.28Å; T149-A152 PolarHBondContact O-N 2.63Å; A152-G156 PolarHBondContact O-N 3.36Å |
| 153 | I | 52.6 | Low | 45.5 | Very low | 106 Ų | 106 | 88.9 Ų | 88.9 | 54% | 0.544 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -79.8 | -45.2 | 178.3 | -66.5 | 170.2 | 0 | 0 | 0 | 111.1 | T149 V150 F151 V155 G156 I157 | T149-I153 WeakPolarHBondContact O-CG1 3.35Å; T149-I153 PolarHBondContact O-N 2.83Å; V150-I153 PolarHBondContact O-N 3.29Å; F151-I153 VanDerWaalsContact C-N 3.29Å; F151-I153 PolarHBondContact O-N 3.21Å; I153-V155 PolarHBondContact O-N 3Å; I153-G156 CarbonylContact O-C 3.6Å; I153-G156 WeakPolarHBondContact O-CA 2.88Å; I153-G156 PolarHBondContact O-N 3.02Å; I153-G156 VanDerWaalsContact O-N 3.14Å; I153-I157 HydrophobicContact CG2-CD1 3.66Å; I153-I157 HydrophobicContact CG2-CG1 4.5Å; I153-I157 WeakPolarHBondContact O-CG1 3.12Å; I153-I157 PolarHBondContact O-N 3.26Å |
| 154 | I | 48.8 | Very low | 45.2 | Very low | 99 Ų | 99 | 90 Ų | 90 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | -180 | -68.5 | 168.3 | 0 | 0 | 0 | 111.3 | V150 G156 I157 F158 | V150-I154 HydrophobicContact CG1-CD1 3.84Å; V150-I154 WeakPolarHBondContact O-CG1 3.5Å; V150-I154 PolarHBondContact O-N 3.24Å; V150-I154 VanDerWaalsContact O-N 3.08Å; I154-G156 VanDerWaalsContact C-N 3.32Å; I154-G156 PolarHBondContact O-N 3.36Å; I154-I157 PolarHBondContact O-N 2.89Å; I154-F158 WeakPolarHBondContact O-CB 3.5Å; I154-F158 PolarHBondContact O-N 3.27Å |
| 155 | V | 45.5 | Very low | 45.1 | Very low | 73 Ų | 73 | 92.6 Ų | 92.6 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 174.4 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | F151 I153 I157 A159 | F151-V155 HydrophobicContact CD1-CG2 4.06Å; F151-V155 HydrophobicContact CE1-CG2 3.79Å; F151-V155 HydrophobicContact CE2-CG2 4.45Å; F151-V155 HydrophobicContact CZ-CG2 4Å; F151-V155 WeakPolarHBondContact O-CB 3.4Å; F151-V155 VanDerWaalsContact O-CG2 3.32Å; F151-V155 WeakPolarHBondContact O-CG2 3.25Å; F151-V155 PolarHBondContact O-N 3.46Å; I153-V155 PolarHBondContact O-N 3Å; V155-I157 VanDerWaalsContact C-N 3.3Å; V155-I157 PolarHBondContact O-N 2.88Å; V155-A159 WeakPolarHBondContact O-CB 3.43Å; V155-A159 PolarHBondContact O-N 3.18Å |
| 156 | G | 48 | Very low | 44.8 | Very low | 29 Ų | 29 | 102.3 Ų | 102.3 | 30% | 0.299 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.2 | -38 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A152 I153 I154 T160 | A152-G156 PolarHBondContact O-N 3.36Å; I153-G156 CarbonylContact O-C 3.6Å; I153-G156 WeakPolarHBondContact O-CA 2.88Å; I153-G156 PolarHBondContact O-N 3.02Å; I153-G156 VanDerWaalsContact O-N 3.14Å; I154-G156 VanDerWaalsContact C-N 3.32Å; I154-G156 PolarHBondContact O-N 3.36Å; G156-T160 WeakPolarHBondContact O-CB 3.11Å; G156-T160 PolarHBondContact O-OG1 3.29Å |
| 157 | I | 49.1 | Very low | 44.9 | Very low | 103 Ų | 103 | 105.1 Ų | 105.1 | 53% | 0.528 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -87 | -35.8 | -177.5 | -62.6 | 163.4 | 0 | 0 | 0 | 111.9 | I153 I154 V155 T160 S161 | I153-I157 HydrophobicContact CG2-CD1 3.66Å; I153-I157 HydrophobicContact CG2-CG1 4.5Å; I153-I157 WeakPolarHBondContact O-CG1 3.12Å; I153-I157 PolarHBondContact O-N 3.26Å; I154-I157 PolarHBondContact O-N 2.89Å; V155-I157 VanDerWaalsContact C-N 3.3Å; V155-I157 PolarHBondContact O-N 2.88Å; I157-T160 WeakPolarHBondContact O-CB 3.37Å; I157-T160 PolarHBondContact O-N 2.97Å; I157-S161 WeakPolarHBondContact O-CB 3.13Å; I157-S161 PolarHBondContact O-N 3.29Å; I157-S161 PolarHBondContact O-OG 2.93Å |
| 158 | F | 45.9 | Very low | 45 | Very low | 137 Ų | 137 | 108.4 Ų | 108.4 | 60% | 0.601 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.7 | -39.6 | 179.8 | -148.9 | -102.2 | 0 | 0 | 0 | 112.1 | I154 T160 S161 L162 | I154-F158 WeakPolarHBondContact O-CB 3.5Å; I154-F158 PolarHBondContact O-N 3.27Å; F158-T160 PolarHBondContact O-N 3.46Å; F158-S161 PolarHBondContact O-N 2.82Å; F158-L162 HydrophobicContact CD1-CD1 3.61Å; F158-L162 HydrophobicContact CD1-CG 4.12Å; F158-L162 HydrophobicContact CE1-CD1 3.39Å; F158-L162 HydrophobicContact CE1-CG 4.07Å; F158-L162 HydrophobicContact CZ-CD1 4.28Å; F158-L162 WeakPolarHBondContact O-CG 3.42Å; F158-L162 PolarHBondContact O-N 2.96Å; F158-L162 VanDerWaalsContact O-N 3.11Å |
| 159 | A | 45.3 | Very low | 45 | Very low | 59 Ų | 59 | 108.9 Ų | 108.9 | 49% | 0.488 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.9 | -29.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V155 | V155-A159 WeakPolarHBondContact O-CB 3.43Å; V155-A159 PolarHBondContact O-N 3.18Å |
| 160 | T | 46.4 | Very low | 44.8 | Very low | 58 Ų | 58 | 110.6 Ų | 110.6 | 36% | 0.356 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.9 | -35.3 | 175.5 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | F108 G156 I157 F158 | F108-T160 HydrophobicContact CD1-CG2 3.91Å; F108-T160 WeakPolarHBondContact CD1-OG1 3.35Å; F108-T160 HydrophobicContact CE1-CG2 3.14Å; F108-T160 WeakPolarHBondContact CE1-OG1 3.1Å; F108-T160 HydrophobicContact CE2-CG2 4.28Å; F108-T160 HydrophobicContact CZ-CG2 3.33Å; G156-T160 WeakPolarHBondContact O-CB 3.11Å; G156-T160 PolarHBondContact O-OG1 3.29Å; I157-T160 WeakPolarHBondContact O-CB 3.37Å; I157-T160 PolarHBondContact O-N 2.97Å; F158-T160 PolarHBondContact O-N 3.46Å |
| 161 | S | 39.1 | Very low | 44.6 | Very low | 86 Ų | 86 | 113.3 Ų | 113.3 | 60% | 0.601 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -88.2 | -17.1 | -174.5 | -54.7 | 0 | 0 | 0 | 0 | 114.1 | I157 F158 | I157-S161 WeakPolarHBondContact O-CB 3.13Å; I157-S161 PolarHBondContact O-N 3.29Å; I157-S161 PolarHBondContact O-OG 2.93Å; F158-S161 PolarHBondContact O-N 2.82Å |
| 162 | L | 43.1 | Very low | 44.4 | Very low | 113 Ų | 113 | 111.4 Ų | 111.4 | 59% | 0.592 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 15.1 | 179.8 | -70.6 | -172.9 | 0 | 0 | 0 | 115.4 | F158 P164 | F158-L162 HydrophobicContact CD1-CD1 3.61Å; F158-L162 HydrophobicContact CD1-CG 4.12Å; F158-L162 HydrophobicContact CE1-CD1 3.39Å; F158-L162 HydrophobicContact CE1-CG 4.07Å; F158-L162 HydrophobicContact CZ-CD1 4.28Å; F158-L162 WeakPolarHBondContact O-CG 3.42Å; F158-L162 PolarHBondContact O-N 2.96Å; F158-L162 VanDerWaalsContact O-N 3.11Å; L162-P164 VanDerWaalsContact C-CD 3.42Å; L162-P164 WeakPolarHBondContact O-CD 3.28Å |
| 163 | K | 38 | Very low | 44.3 | Very low | 173 Ų | 173 | 115.9 Ų | 115.9 | 75% | 0.752 | 61% | 0.614 | S | S | * | * | trans | -93 | 92.9 | 161.5 | -99.2 | 179.1 | -179.3 | -89 | 0 | 109.2 | K165 | K163-K165 PolarHBondContact O-N 3.12Š| ||
| 164 | P | 39.8 | Very low | 43.7 | Very low | 117 Ų | 117 | 116.7 Ų | 116.7 | 76% | 0.76 | 62% | 0.62 | S | S | * | * | trans | -62.9 | 127.3 | 165.4 | 27.1 | -32.2 | 0 | 0 | 0 | 108.6 | L162 Q166 | L162-P164 VanDerWaalsContact C-CD 3.42Å; L162-P164 WeakPolarHBondContact O-CD 3.28Å; P164-Q166 PolarHBondContact O-N 2.94Å | ||
| 165 | K | 42.9 | Very low | 43.3 | Very low | 205 Ų | 205 | 118.2 Ų | 118.2 | 89% | 0.891 | 63% | 0.629 | S | S | * | * | trans | -43.2 | 114.6 | 166.3 | -172.5 | 167.2 | -178.5 | 170 | 0 | 110.8 | K163 | K163-K165 PolarHBondContact O-N 3.12Š| ||
| 166 | Q | 35.8 | Very low | 43.1 | Very low | 265 Ų | 265 | 122.3 Ų | 122.3 | 100% | 1.238 | 65% | 0.646 | S | S | * | * | trans | -136.3 | 0 | 153.5 | -79 | -165.7 | -57.6 | 0 | 0 | 108.2 | P164 | P164-Q166 PolarHBondContact O-N 2.94Š|
Retrieved 166 of 166 residues in 24.3 ms
(Link to these results)